----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:23:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.827547155000000 5.395194735000000 4.007242020000001 b 2.827547155000000 -5.395194735000000 4.007242020000001 c 2.827547155000000 5.395194735000000 -4.007242020000001 Atomic positions (fractional): *1 Li 0.94529136838935 0.69529136838935 0.25000000000000 6.941 2 Li 0.05470863161065 0.30470863161065 0.75000000000000 6.941 *3 B 0.32142776548956 0.98812680021264 0.33330096527692 10.811 *4 B 0.47989381921766 0.79861176028863 0.17526781419499 10.811 5 B 0.12334394609363 0.79861176028863 0.81871794107096 10.811 6 B 0.52010618078233 0.20138823971137 0.82473218580501 10.811 *7 B 0.09024970693607 0.31953037368470 0.09115530594070 10.811 8 B 0.72837506774400 0.31953037368470 0.72928066674864 10.811 9 B 0.52010618078233 0.69537399497733 0.31871794107096 10.811 10 B 0.12334394609363 0.30462600502267 0.32473218580501 10.811 11 B 0.27162493225600 0.00090559900463 0.59115530594070 10.811 12 B 0.67857223451044 0.01187319978736 0.66669903472308 10.811 *13 B 0.39624682816707 0.82245109937765 0.57379572878942 10.811 14 B 0.72837506774400 0.99909440099537 0.40884469405930 10.811 15 B 0.87665605390637 0.20138823971137 0.18128205892904 10.811 16 B 0.15482583493572 0.98812680021264 0.16669903472308 10.811 17 B 0.47989381921766 0.30462600502267 0.68128205892904 10.811 *18 B 0.61353933489109 0.36353933489109 0.25000000000000 10.811 19 B 0.90975029306393 0.00090559900463 0.22928066674864 10.811 20 B 0.84517416506428 0.01187319978736 0.83330096527692 10.811 21 B 0.25134462941176 0.17754890062235 0.07379572878942 10.811 22 B 0.27162493225600 0.68046962631530 0.27071933325136 10.811 23 B 0.09024970693607 0.99909440099537 0.77071933325136 10.811 24 B 0.74865537058824 0.82245109937765 0.92620427121058 10.811 25 B 0.87665605390637 0.69537399497733 0.67526781419499 10.811 26 B 0.60375317183293 0.17754890062235 0.42620427121058 10.811 27 B 0.38646066510891 0.63646066510891 0.75000000000000 10.811 28 B 0.90975029306393 0.68046962631530 0.90884469405930 10.811 *29 C 0.51083292181920 0.62946239007785 0.88137053174135 12.011 30 C 0.24809185833650 0.62946239007785 0.61862946825865 12.011 31 C 0.75190814166350 0.37053760992215 0.38137053174135 12.011 32 C 0.48916707818080 0.37053760992215 0.11862946825865 12.011 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.655094310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790389469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014484040000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.69529136838935 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.30470863161065 6.941 > 2 3 Li 0.50000000000000 0.75000000000000 0.19529136838935 6.941 > 1 4 Li 0.50000000000000 0.25000000000000 0.80470863161065 6.941 > 2 *5 B 0.50000000000000 0.83330096527692 0.48812680021264 10.811 > 3 *6 B 0.24699287763298 0.92827493656202 0.55161888265565 10.811 > 4 7 B 0.24699287763298 0.57172506343798 0.55161888265565 10.811 > 5 8 B 0.75300712236702 0.07172506343798 0.44838111734435 10.811 > 6 *9 B 0.16021798634467 0.93093731959603 0.15931238734003 10.811 > 7 10 B 0.66021798634467 0.06906268040397 0.65931238734004 10.811 > 8 11 B 0.24699287763298 0.07172506343798 0.44838111734435 10.811 > 9 12 B 0.75300712236702 0.57172506343798 0.55161888265565 10.811 > 10 13 B 0.66021798634467 0.93093731959603 0.34068761265997 10.811 > 11 14 B 0.50000000000000 0.16669903472308 0.51187319978736 10.811 > 12 *15 B 0.50000000000000 0.07379572878942 0.32245109937765 10.811 > 13 16 B 0.33978201365533 0.06906268040397 0.65931238734004 10.811 > 14 17 B 0.75300712236702 0.42827493656202 0.44838111734435 10.811 > 15 18 B 0.50000000000000 0.66669903472308 0.48812680021264 10.811 > 16 19 B 0.75300712236702 0.92827493656202 0.55161888265565 10.811 > 17 *20 B 0.00000000000000 0.25000000000000 0.36353933489109 10.811 > 18 21 B 0.16021798634467 0.06906268040397 0.84068761265996 10.811 > 19 22 B 0.50000000000000 0.33330096527692 0.51187319978736 10.811 > 20 23 B 0.00000000000000 0.07379572878942 0.17754890062235 10.811 > 21 24 B 0.33978201365533 0.93093731959603 0.34068761265997 10.811 > 22 25 B 0.83978201365533 0.93093731959603 0.15931238734003 10.811 > 23 26 B 0.00000000000000 0.92620427121058 0.82245109937765 10.811 > 24 27 B 0.24699287763298 0.42827493656202 0.44838111734435 10.811 > 25 28 B 0.50000000000000 0.92620427121058 0.67754890062235 10.811 > 26 29 B 0.00000000000000 0.75000000000000 0.63646066510891 10.811 > 27 30 B 0.83978201365533 0.06906268040397 0.84068761265996 10.811 > 28 31 B 0.00000000000000 0.33330096527692 0.98812680021264 10.811 > 3 32 B 0.74699287763298 0.42827493656202 0.05161888265565 10.811 > 4 33 B 0.74699287763298 0.07172506343798 0.05161888265565 10.811 > 5 34 B 0.25300712236702 0.57172506343798 0.94838111734435 10.811 > 6 35 B 0.66021798634467 0.43093731959603 0.65931238734004 10.811 > 7 36 B 0.16021798634467 0.56906268040397 0.15931238734003 10.811 > 8 37 B 0.74699287763298 0.57172506343798 0.94838111734435 10.811 > 9 38 B 0.25300712236702 0.07172506343798 0.05161888265565 10.811 > 10 39 B 0.16021798634467 0.43093731959603 0.84068761265996 10.811 > 11 40 B 0.00000000000000 0.66669903472308 0.01187319978736 10.811 > 12 41 B 0.00000000000000 0.57379572878942 0.82245109937765 10.811 > 13 42 B 0.83978201365533 0.56906268040397 0.15931238734003 10.811 > 14 43 B 0.25300712236702 0.92827493656202 0.94838111734435 10.811 > 15 44 B 0.00000000000000 0.16669903472308 0.98812680021264 10.811 > 16 45 B 0.25300712236702 0.42827493656202 0.05161888265565 10.811 > 17 46 B 0.50000000000000 0.75000000000000 0.86353933489109 10.811 > 18 47 B 0.66021798634467 0.56906268040397 0.34068761265997 10.811 > 19 48 B 0.00000000000000 0.83330096527692 0.01187319978736 10.811 > 20 49 B 0.50000000000000 0.57379572878942 0.67754890062235 10.811 > 21 50 B 0.83978201365533 0.43093731959603 0.84068761265996 10.811 > 22 51 B 0.33978201365533 0.43093731959603 0.65931238734004 10.811 > 23 52 B 0.50000000000000 0.42620427121058 0.32245109937765 10.811 > 24 53 B 0.74699287763298 0.92827493656202 0.94838111734435 10.811 > 25 54 B 0.00000000000000 0.42620427121058 0.17754890062235 10.811 > 26 55 B 0.50000000000000 0.25000000000000 0.13646066510891 10.811 > 27 56 B 0.33978201365533 0.56906268040397 0.34068761265997 10.811 > 28 *57 C 0.00000000000000 0.88137053174135 0.62946239007785 12.011 > 29 58 C 0.50000000000000 0.11862946825865 0.12946239007785 12.011 > 30 59 C 0.50000000000000 0.88137053174135 0.87053760992215 12.011 > 31 60 C 0.00000000000000 0.11862946825865 0.37053760992215 12.011 > 32 61 C 0.50000000000000 0.38137053174135 0.12946239007785 12.011 > 29 62 C 0.00000000000000 0.61862946825865 0.62946239007785 12.011 > 30 63 C 0.00000000000000 0.38137053174135 0.37053760992215 12.011 > 31 64 C 0.50000000000000 0.61862946825865 0.87053760992215 12.011 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.310188620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790389469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014484040000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.69529136838935 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.69529136838935 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.30470863161065 6.941 > 2 4 Li 0.50000000000000 0.75000000000000 0.30470863161065 6.941 > 2 5 Li 0.25000000000000 0.75000000000000 0.19529136838935 6.941 > 1 6 Li 0.75000000000000 0.75000000000000 0.19529136838935 6.941 > 1 7 Li 0.25000000000000 0.25000000000000 0.80470863161065 6.941 > 2 8 Li 0.75000000000000 0.25000000000000 0.80470863161065 6.941 > 2 *9 B 0.25000000000000 0.83330096527692 0.48812680021264 10.811 > 3 10 B 0.75000000000000 0.83330096527692 0.48812680021264 10.811 > 3 *11 B 0.12349643881649 0.92827493656202 0.55161888265565 10.811 > 4 12 B 0.62349643881649 0.92827493656202 0.55161888265565 10.811 > 4 13 B 0.12349643881649 0.57172506343798 0.55161888265565 10.811 > 5 14 B 0.62349643881649 0.57172506343798 0.55161888265565 10.811 > 5 15 B 0.37650356118351 0.07172506343798 0.44838111734435 10.811 > 6 16 B 0.87650356118351 0.07172506343798 0.44838111734435 10.811 > 6 *17 B 0.08010899317233 0.93093731959603 0.15931238734003 10.811 > 7 18 B 0.58010899317233 0.93093731959603 0.15931238734003 10.811 > 7 19 B 0.33010899317233 0.06906268040397 0.65931238734004 10.811 > 8 20 B 0.83010899317233 0.06906268040397 0.65931238734004 10.811 > 8 21 B 0.12349643881649 0.07172506343798 0.44838111734435 10.811 > 9 22 B 0.62349643881649 0.07172506343798 0.44838111734435 10.811 > 9 23 B 0.37650356118351 0.57172506343798 0.55161888265565 10.811 > 10 24 B 0.87650356118351 0.57172506343798 0.55161888265565 10.811 > 10 25 B 0.33010899317233 0.93093731959603 0.34068761265997 10.811 > 11 26 B 0.83010899317233 0.93093731959603 0.34068761265997 10.811 > 11 27 B 0.25000000000000 0.16669903472308 0.51187319978736 10.811 > 12 28 B 0.75000000000000 0.16669903472308 0.51187319978736 10.811 > 12 *29 B 0.25000000000000 0.07379572878942 0.32245109937765 10.811 > 13 30 B 0.75000000000000 0.07379572878942 0.32245109937765 10.811 > 13 31 B 0.16989100682767 0.06906268040397 0.65931238734004 10.811 > 14 32 B 0.66989100682767 0.06906268040397 0.65931238734004 10.811 > 14 33 B 0.37650356118351 0.42827493656202 0.44838111734435 10.811 > 15 34 B 0.87650356118351 0.42827493656202 0.44838111734435 10.811 > 15 35 B 0.25000000000000 0.66669903472308 0.48812680021264 10.811 > 16 36 B 0.75000000000000 0.66669903472308 0.48812680021264 10.811 > 16 37 B 0.37650356118351 0.92827493656202 0.55161888265565 10.811 > 17 38 B 0.87650356118351 0.92827493656202 0.55161888265565 10.811 > 17 *39 B 0.00000000000000 0.25000000000000 0.36353933489109 10.811 > 18 40 B 0.50000000000000 0.25000000000000 0.36353933489109 10.811 > 18 41 B 0.08010899317233 0.06906268040397 0.84068761265996 10.811 > 19 42 B 0.58010899317233 0.06906268040397 0.84068761265996 10.811 > 19 43 B 0.25000000000000 0.33330096527692 0.51187319978736 10.811 > 20 44 B 0.75000000000000 0.33330096527692 0.51187319978736 10.811 > 20 45 B 0.00000000000000 0.07379572878942 0.17754890062235 10.811 > 21 46 B 0.50000000000000 0.07379572878942 0.17754890062235 10.811 > 21 47 B 0.16989100682767 0.93093731959603 0.34068761265997 10.811 > 22 48 B 0.66989100682767 0.93093731959603 0.34068761265997 10.811 > 22 49 B 0.41989100682767 0.93093731959603 0.15931238734003 10.811 > 23 50 B 0.91989100682767 0.93093731959603 0.15931238734003 10.811 > 23 51 B 0.00000000000000 0.92620427121058 0.82245109937765 10.811 > 24 52 B 0.50000000000000 0.92620427121058 0.82245109937765 10.811 > 24 53 B 0.12349643881649 0.42827493656202 0.44838111734435 10.811 > 25 54 B 0.62349643881649 0.42827493656202 0.44838111734435 10.811 > 25 55 B 0.25000000000000 0.92620427121058 0.67754890062235 10.811 > 26 56 B 0.75000000000000 0.92620427121058 0.67754890062235 10.811 > 26 57 B 0.00000000000000 0.75000000000000 0.63646066510891 10.811 > 27 58 B 0.50000000000000 0.75000000000000 0.63646066510891 10.811 > 27 59 B 0.41989100682767 0.06906268040397 0.84068761265996 10.811 > 28 60 B 0.91989100682767 0.06906268040397 0.84068761265996 10.811 > 28 61 B 0.00000000000000 0.33330096527692 0.98812680021264 10.811 > 3 62 B 0.50000000000000 0.33330096527692 0.98812680021264 10.811 > 3 63 B 0.37349643881649 0.42827493656202 0.05161888265565 10.811 > 4 64 B 0.87349643881649 0.42827493656202 0.05161888265565 10.811 > 4 65 B 0.37349643881649 0.07172506343798 0.05161888265565 10.811 > 5 66 B 0.87349643881649 0.07172506343798 0.05161888265565 10.811 > 5 67 B 0.12650356118351 0.57172506343798 0.94838111734435 10.811 > 6 68 B 0.62650356118351 0.57172506343798 0.94838111734435 10.811 > 6 69 B 0.33010899317233 0.43093731959603 0.65931238734004 10.811 > 7 70 B 0.83010899317233 0.43093731959603 0.65931238734004 10.811 > 7 71 B 0.08010899317233 0.56906268040397 0.15931238734003 10.811 > 8 72 B 0.58010899317233 0.56906268040397 0.15931238734003 10.811 > 8 73 B 0.37349643881649 0.57172506343798 0.94838111734435 10.811 > 9 74 B 0.87349643881649 0.57172506343798 0.94838111734435 10.811 > 9 75 B 0.12650356118351 0.07172506343798 0.05161888265565 10.811 > 10 76 B 0.62650356118351 0.07172506343798 0.05161888265565 10.811 > 10 77 B 0.08010899317233 0.43093731959603 0.84068761265996 10.811 > 11 78 B 0.58010899317233 0.43093731959603 0.84068761265996 10.811 > 11 79 B 0.00000000000000 0.66669903472308 0.01187319978736 10.811 > 12 80 B 0.50000000000000 0.66669903472308 0.01187319978736 10.811 > 12 81 B 0.00000000000000 0.57379572878942 0.82245109937765 10.811 > 13 82 B 0.50000000000000 0.57379572878942 0.82245109937765 10.811 > 13 83 B 0.41989100682767 0.56906268040397 0.15931238734003 10.811 > 14 84 B 0.91989100682767 0.56906268040397 0.15931238734003 10.811 > 14 85 B 0.12650356118351 0.92827493656202 0.94838111734435 10.811 > 15 86 B 0.62650356118351 0.92827493656202 0.94838111734435 10.811 > 15 87 B 0.00000000000000 0.16669903472308 0.98812680021264 10.811 > 16 88 B 0.50000000000000 0.16669903472308 0.98812680021264 10.811 > 16 89 B 0.12650356118351 0.42827493656202 0.05161888265565 10.811 > 17 90 B 0.62650356118351 0.42827493656202 0.05161888265565 10.811 > 17 91 B 0.25000000000000 0.75000000000000 0.86353933489109 10.811 > 18 92 B 0.75000000000000 0.75000000000000 0.86353933489109 10.811 > 18 93 B 0.33010899317233 0.56906268040397 0.34068761265997 10.811 > 19 94 B 0.83010899317233 0.56906268040397 0.34068761265997 10.811 > 19 95 B 0.00000000000000 0.83330096527692 0.01187319978736 10.811 > 20 96 B 0.50000000000000 0.83330096527692 0.01187319978736 10.811 > 20 97 B 0.25000000000000 0.57379572878942 0.67754890062235 10.811 > 21 98 B 0.75000000000000 0.57379572878942 0.67754890062235 10.811 > 21 99 B 0.41989100682767 0.43093731959603 0.84068761265996 10.811 > 22 100 B 0.91989100682767 0.43093731959603 0.84068761265996 10.811 > 22 101 B 0.16989100682767 0.43093731959603 0.65931238734004 10.811 > 23 102 B 0.66989100682767 0.43093731959603 0.65931238734004 10.811 > 23 103 B 0.25000000000000 0.42620427121058 0.32245109937765 10.811 > 24 104 B 0.75000000000000 0.42620427121058 0.32245109937765 10.811 > 24 105 B 0.37349643881649 0.92827493656202 0.94838111734435 10.811 > 25 106 B 0.87349643881649 0.92827493656202 0.94838111734435 10.811 > 25 107 B 0.00000000000000 0.42620427121058 0.17754890062235 10.811 > 26 108 B 0.50000000000000 0.42620427121058 0.17754890062235 10.811 > 26 109 B 0.25000000000000 0.25000000000000 0.13646066510891 10.811 > 27 110 B 0.75000000000000 0.25000000000000 0.13646066510891 10.811 > 27 111 B 0.16989100682767 0.56906268040397 0.34068761265997 10.811 > 28 112 B 0.66989100682767 0.56906268040397 0.34068761265997 10.811 > 28 *113 C 0.00000000000000 0.88137053174135 0.62946239007785 12.011 > 29 114 C 0.50000000000000 0.88137053174135 0.62946239007785 12.011 > 29 115 C 0.25000000000000 0.11862946825865 0.12946239007785 12.011 > 30 116 C 0.75000000000000 0.11862946825865 0.12946239007785 12.011 > 30 117 C 0.25000000000000 0.88137053174135 0.87053760992215 12.011 > 31 118 C 0.75000000000000 0.88137053174135 0.87053760992215 12.011 > 31 119 C 0.00000000000000 0.11862946825865 0.37053760992215 12.011 > 32 120 C 0.50000000000000 0.11862946825865 0.37053760992215 12.011 > 32 121 C 0.25000000000000 0.38137053174135 0.12946239007785 12.011 > 29 122 C 0.75000000000000 0.38137053174135 0.12946239007785 12.011 > 29 123 C 0.00000000000000 0.61862946825865 0.62946239007785 12.011 > 30 124 C 0.50000000000000 0.61862946825865 0.62946239007785 12.011 > 30 125 C 0.00000000000000 0.38137053174135 0.37053760992215 12.011 > 31 126 C 0.50000000000000 0.38137053174135 0.37053760992215 12.011 > 31 127 C 0.25000000000000 0.61862946825865 0.87053760992215 12.011 > 32 128 C 0.75000000000000 0.61862946825865 0.87053760992215 12.011 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7301324 0.0000000 0.0000000 0.0000000 7.3541939 0.0000000 0.0000000 0.0000000 6.9414496 -------------------------- Born effective charges -------------------------- 1 Li 1.1620032 0.0000000 0.0000000 -0.0000000 1.7560685 0.0000000 0.0000000 0.0000000 1.4879441 2 Li 1.1620032 0.0000000 0.0000000 -0.0000000 1.7560685 0.0000000 0.0000000 0.0000000 1.4879441 3 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 -0.0954264 0.0000000 -0.1678333 -0.3635078 4 B 0.7652795 0.3019633 -0.4631129 0.5451408 0.0187541 -0.1597074 -0.6015678 -0.1394934 0.0786718 5 B 0.7652795 -0.3019633 -0.4631129 -0.5451408 0.0187541 0.1597074 -0.6015678 0.1394934 0.0786718 6 B 0.7652795 0.3019633 -0.4631129 0.5451408 0.0187541 -0.1597074 -0.6015678 -0.1394934 0.0786718 7 B -0.1395860 0.0130874 0.2988731 0.0324248 -0.5344150 -0.0952210 0.2236941 0.0103074 -0.0887018 8 B -0.1395860 -0.0130874 0.2988731 -0.0324248 -0.5344150 0.0952210 0.2236941 -0.0103074 -0.0887018 9 B 0.7652795 -0.3019633 0.4631129 -0.5451408 0.0187541 -0.1597074 0.6015678 -0.1394934 0.0786718 10 B 0.7652795 0.3019633 0.4631129 0.5451408 0.0187541 0.1597074 0.6015678 0.1394934 0.0786718 11 B -0.1395860 0.0130874 -0.2988731 0.0324248 -0.5344150 0.0952210 -0.2236941 -0.0103074 -0.0887018 12 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 -0.0954264 0.0000000 -0.1678333 -0.3635078 13 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 -0.6372442 0.0000000 -0.2910607 0.9051135 14 B -0.1395860 0.0130874 -0.2988731 0.0324248 -0.5344150 0.0952210 -0.2236941 -0.0103074 -0.0887018 15 B 0.7652795 -0.3019633 -0.4631129 -0.5451408 0.0187541 0.1597074 -0.6015678 0.1394934 0.0786718 16 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 0.0954264 0.0000000 0.1678333 -0.3635078 17 B 0.7652795 -0.3019633 0.4631129 -0.5451408 0.0187541 -0.1597074 0.6015678 -0.1394934 0.0786718 18 B 0.8429745 0.0000000 0.0000000 -0.0000000 4.4530499 0.0000000 0.0000000 0.0000000 0.5029265 19 B -0.1395860 -0.0130874 -0.2988731 -0.0324248 -0.5344150 -0.0952210 -0.2236941 0.0103074 -0.0887018 20 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 0.0954264 0.0000000 0.1678333 -0.3635078 21 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 0.6372442 0.0000000 0.2910607 0.9051135 22 B -0.1395860 -0.0130874 0.2988731 -0.0324248 -0.5344150 0.0952210 0.2236941 -0.0103074 -0.0887018 23 B -0.1395860 -0.0130874 -0.2988731 -0.0324248 -0.5344150 -0.0952210 -0.2236941 0.0103074 -0.0887018 24 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 0.6372442 0.0000000 0.2910607 0.9051135 25 B 0.7652795 0.3019633 0.4631129 0.5451408 0.0187541 0.1597074 0.6015678 0.1394934 0.0786718 26 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 -0.6372442 0.0000000 -0.2910607 0.9051135 27 B 0.8429745 0.0000000 0.0000000 -0.0000000 4.4530499 0.0000000 0.0000000 0.0000000 0.5029265 28 B -0.1395860 0.0130874 0.2988731 0.0324248 -0.5344150 -0.0952210 0.2236941 0.0103074 -0.0887018 29 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 -0.2781562 0.0000000 0.0125881 -1.5169812 30 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 0.2781562 0.0000000 -0.0125881 -1.5169812 31 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 0.2781562 0.0000000 -0.0125881 -1.5169812 32 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 -0.2781562 0.0000000 0.0125881 -1.5169812 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 24792/24792 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2486 Number of blocks in projector: 2486 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: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 240 eigenvectors found. (2) Block: 500 / 564 (2) 240 eigenvectors found. (2) Block: 564 / 564 (2) 58 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 342 Use standard eigh solver. Tree of FC basis block matrices: - (2486, 2447), data: False |-- (342, 335), data: True |-- (342, 335), data: True |-- (342, 335), data: True |-- (444, 440), data: True |-- (452, 448), data: True |-- (564, 554), data: False |-- (564, 554), data: False |-- (564, 16), data: (564, 26) @ (26, 16) |-- (64, 58), data: True |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.876 Solver_block: 200 / 480 - Time: 0.743 Solver_block: 300 / 480 - Time: 0.742 Solver_block: 400 / 480 - Time: 0.730 Solver_block: 480 / 480 - Time: 0.610 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.796 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 24792/24792 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2486 Number of blocks in projector: 2486 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: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 240 eigenvectors found. (2) Block: 500 / 564 (2) 240 eigenvectors found. (2) Block: 564 / 564 (2) 58 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 342 Use standard eigh solver. Tree of FC basis block matrices: - (2486, 2447), data: False |-- (342, 335), data: True |-- (342, 335), data: True |-- (342, 335), data: True |-- (444, 440), data: True |-- (452, 448), data: True |-- (564, 554), data: False |-- (564, 554), data: False |-- (564, 16), data: (564, 26) @ (26, 16) |-- (64, 58), data: True |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:24:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:24:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.827547155000000 5.395194735000000 4.007242020000001 b 2.827547155000000 -5.395194735000000 4.007242020000001 c 2.827547155000000 5.395194735000000 -4.007242020000001 Atomic positions (fractional): 1 Li 0.94529136838935 0.69529136838935 0.25000000000000 6.941 2 Li 0.05470863161065 0.30470863161065 0.75000000000000 6.941 3 B 0.32142776548956 0.98812680021264 0.33330096527692 10.811 4 B 0.47989381921766 0.79861176028863 0.17526781419499 10.811 5 B 0.12334394609363 0.79861176028863 0.81871794107096 10.811 6 B 0.52010618078233 0.20138823971137 0.82473218580501 10.811 7 B 0.09024970693607 0.31953037368470 0.09115530594070 10.811 8 B 0.72837506774400 0.31953037368470 0.72928066674864 10.811 9 B 0.52010618078233 0.69537399497733 0.31871794107096 10.811 10 B 0.12334394609363 0.30462600502267 0.32473218580501 10.811 11 B 0.27162493225600 0.00090559900463 0.59115530594070 10.811 12 B 0.67857223451044 0.01187319978736 0.66669903472308 10.811 13 B 0.39624682816707 0.82245109937765 0.57379572878942 10.811 14 B 0.72837506774400 0.99909440099537 0.40884469405930 10.811 15 B 0.87665605390637 0.20138823971137 0.18128205892904 10.811 16 B 0.15482583493572 0.98812680021264 0.16669903472308 10.811 17 B 0.47989381921766 0.30462600502267 0.68128205892904 10.811 18 B 0.61353933489109 0.36353933489109 0.25000000000000 10.811 19 B 0.90975029306393 0.00090559900463 0.22928066674864 10.811 20 B 0.84517416506428 0.01187319978736 0.83330096527692 10.811 21 B 0.25134462941176 0.17754890062235 0.07379572878942 10.811 22 B 0.27162493225600 0.68046962631530 0.27071933325136 10.811 23 B 0.09024970693607 0.99909440099537 0.77071933325136 10.811 24 B 0.74865537058824 0.82245109937765 0.92620427121058 10.811 25 B 0.87665605390637 0.69537399497733 0.67526781419499 10.811 26 B 0.60375317183293 0.17754890062235 0.42620427121058 10.811 27 B 0.38646066510891 0.63646066510891 0.75000000000000 10.811 28 B 0.90975029306393 0.68046962631530 0.90884469405930 10.811 29 C 0.51083292181920 0.62946239007785 0.88137053174135 12.011 30 C 0.24809185833650 0.62946239007785 0.61862946825865 12.011 31 C 0.75190814166350 0.37053760992215 0.38137053174135 12.011 32 C 0.48916707818080 0.37053760992215 0.11862946825865 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.310188620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790389469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014484040000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.69529136838935 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.69529136838935 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.30470863161065 6.941 > 3 4 Li 0.50000000000000 0.75000000000000 0.30470863161065 6.941 > 3 5 Li 0.25000000000000 0.75000000000000 0.19529136838935 6.941 > 1 6 Li 0.75000000000000 0.75000000000000 0.19529136838935 6.941 > 1 7 Li 0.25000000000000 0.25000000000000 0.80470863161065 6.941 > 3 8 Li 0.75000000000000 0.25000000000000 0.80470863161065 6.941 > 3 9 B 0.25000000000000 0.83330096527692 0.48812680021264 10.811 > 9 10 B 0.75000000000000 0.83330096527692 0.48812680021264 10.811 > 9 11 B 0.12349643881649 0.92827493656202 0.55161888265565 10.811 > 11 12 B 0.62349643881649 0.92827493656202 0.55161888265565 10.811 > 11 13 B 0.12349643881649 0.57172506343798 0.55161888265565 10.811 > 13 14 B 0.62349643881649 0.57172506343798 0.55161888265565 10.811 > 13 15 B 0.37650356118351 0.07172506343798 0.44838111734435 10.811 > 15 16 B 0.87650356118351 0.07172506343798 0.44838111734435 10.811 > 15 17 B 0.08010899317233 0.93093731959603 0.15931238734003 10.811 > 17 18 B 0.58010899317233 0.93093731959603 0.15931238734003 10.811 > 17 19 B 0.33010899317233 0.06906268040397 0.65931238734004 10.811 > 19 20 B 0.83010899317233 0.06906268040397 0.65931238734004 10.811 > 19 21 B 0.12349643881649 0.07172506343798 0.44838111734435 10.811 > 21 22 B 0.62349643881649 0.07172506343798 0.44838111734435 10.811 > 21 23 B 0.37650356118351 0.57172506343798 0.55161888265565 10.811 > 23 24 B 0.87650356118351 0.57172506343798 0.55161888265565 10.811 > 23 25 B 0.33010899317233 0.93093731959603 0.34068761265997 10.811 > 25 26 B 0.83010899317233 0.93093731959603 0.34068761265997 10.811 > 25 27 B 0.25000000000000 0.16669903472308 0.51187319978736 10.811 > 27 28 B 0.75000000000000 0.16669903472308 0.51187319978736 10.811 > 27 29 B 0.25000000000000 0.07379572878942 0.32245109937765 10.811 > 29 30 B 0.75000000000000 0.07379572878942 0.32245109937765 10.811 > 29 31 B 0.16989100682767 0.06906268040397 0.65931238734004 10.811 > 31 32 B 0.66989100682767 0.06906268040397 0.65931238734004 10.811 > 31 33 B 0.37650356118351 0.42827493656202 0.44838111734435 10.811 > 33 34 B 0.87650356118351 0.42827493656202 0.44838111734435 10.811 > 33 35 B 0.25000000000000 0.66669903472308 0.48812680021264 10.811 > 35 36 B 0.75000000000000 0.66669903472308 0.48812680021264 10.811 > 35 37 B 0.37650356118351 0.92827493656202 0.55161888265565 10.811 > 37 38 B 0.87650356118351 0.92827493656202 0.55161888265565 10.811 > 37 39 B 0.00000000000000 0.25000000000000 0.36353933489109 10.811 > 39 40 B 0.50000000000000 0.25000000000000 0.36353933489109 10.811 > 39 41 B 0.08010899317233 0.06906268040397 0.84068761265996 10.811 > 41 42 B 0.58010899317233 0.06906268040397 0.84068761265996 10.811 > 41 43 B 0.25000000000000 0.33330096527692 0.51187319978736 10.811 > 43 44 B 0.75000000000000 0.33330096527692 0.51187319978736 10.811 > 43 45 B 0.00000000000000 0.07379572878942 0.17754890062235 10.811 > 45 46 B 0.50000000000000 0.07379572878942 0.17754890062235 10.811 > 45 47 B 0.16989100682767 0.93093731959603 0.34068761265997 10.811 > 47 48 B 0.66989100682767 0.93093731959603 0.34068761265997 10.811 > 47 49 B 0.41989100682767 0.93093731959603 0.15931238734003 10.811 > 49 50 B 0.91989100682767 0.93093731959603 0.15931238734003 10.811 > 49 51 B 0.00000000000000 0.92620427121058 0.82245109937765 10.811 > 51 52 B 0.50000000000000 0.92620427121058 0.82245109937765 10.811 > 51 53 B 0.12349643881649 0.42827493656202 0.44838111734435 10.811 > 53 54 B 0.62349643881649 0.42827493656202 0.44838111734435 10.811 > 53 55 B 0.25000000000000 0.92620427121058 0.67754890062235 10.811 > 55 56 B 0.75000000000000 0.92620427121058 0.67754890062235 10.811 > 55 57 B 0.00000000000000 0.75000000000000 0.63646066510891 10.811 > 57 58 B 0.50000000000000 0.75000000000000 0.63646066510891 10.811 > 57 59 B 0.41989100682767 0.06906268040397 0.84068761265996 10.811 > 59 60 B 0.91989100682767 0.06906268040397 0.84068761265996 10.811 > 59 61 B 0.00000000000000 0.33330096527692 0.98812680021264 10.811 > 9 62 B 0.50000000000000 0.33330096527692 0.98812680021264 10.811 > 9 63 B 0.37349643881649 0.42827493656202 0.05161888265565 10.811 > 11 64 B 0.87349643881649 0.42827493656202 0.05161888265565 10.811 > 11 65 B 0.37349643881649 0.07172506343798 0.05161888265565 10.811 > 13 66 B 0.87349643881649 0.07172506343798 0.05161888265565 10.811 > 13 67 B 0.12650356118351 0.57172506343798 0.94838111734435 10.811 > 15 68 B 0.62650356118351 0.57172506343798 0.94838111734435 10.811 > 15 69 B 0.33010899317233 0.43093731959603 0.65931238734004 10.811 > 17 70 B 0.83010899317233 0.43093731959603 0.65931238734004 10.811 > 17 71 B 0.08010899317233 0.56906268040397 0.15931238734003 10.811 > 19 72 B 0.58010899317233 0.56906268040397 0.15931238734003 10.811 > 19 73 B 0.37349643881649 0.57172506343798 0.94838111734435 10.811 > 21 74 B 0.87349643881649 0.57172506343798 0.94838111734435 10.811 > 21 75 B 0.12650356118351 0.07172506343798 0.05161888265565 10.811 > 23 76 B 0.62650356118351 0.07172506343798 0.05161888265565 10.811 > 23 77 B 0.08010899317233 0.43093731959603 0.84068761265996 10.811 > 25 78 B 0.58010899317233 0.43093731959603 0.84068761265996 10.811 > 25 79 B 0.00000000000000 0.66669903472308 0.01187319978736 10.811 > 27 80 B 0.50000000000000 0.66669903472308 0.01187319978736 10.811 > 27 81 B 0.00000000000000 0.57379572878942 0.82245109937765 10.811 > 29 82 B 0.50000000000000 0.57379572878942 0.82245109937765 10.811 > 29 83 B 0.41989100682767 0.56906268040397 0.15931238734003 10.811 > 31 84 B 0.91989100682767 0.56906268040397 0.15931238734003 10.811 > 31 85 B 0.12650356118351 0.92827493656202 0.94838111734435 10.811 > 33 86 B 0.62650356118351 0.92827493656202 0.94838111734435 10.811 > 33 87 B 0.00000000000000 0.16669903472308 0.98812680021264 10.811 > 35 88 B 0.50000000000000 0.16669903472308 0.98812680021264 10.811 > 35 89 B 0.12650356118351 0.42827493656202 0.05161888265565 10.811 > 37 90 B 0.62650356118351 0.42827493656202 0.05161888265565 10.811 > 37 91 B 0.25000000000000 0.75000000000000 0.86353933489109 10.811 > 39 92 B 0.75000000000000 0.75000000000000 0.86353933489109 10.811 > 39 93 B 0.33010899317233 0.56906268040397 0.34068761265997 10.811 > 41 94 B 0.83010899317233 0.56906268040397 0.34068761265997 10.811 > 41 95 B 0.00000000000000 0.83330096527692 0.01187319978736 10.811 > 43 96 B 0.50000000000000 0.83330096527692 0.01187319978736 10.811 > 43 97 B 0.25000000000000 0.57379572878942 0.67754890062235 10.811 > 45 98 B 0.75000000000000 0.57379572878942 0.67754890062235 10.811 > 45 99 B 0.41989100682767 0.43093731959603 0.84068761265996 10.811 > 47 100 B 0.91989100682767 0.43093731959603 0.84068761265996 10.811 > 47 101 B 0.16989100682767 0.43093731959603 0.65931238734004 10.811 > 49 102 B 0.66989100682767 0.43093731959603 0.65931238734004 10.811 > 49 103 B 0.25000000000000 0.42620427121058 0.32245109937765 10.811 > 51 104 B 0.75000000000000 0.42620427121058 0.32245109937765 10.811 > 51 105 B 0.37349643881649 0.92827493656202 0.94838111734435 10.811 > 53 106 B 0.87349643881649 0.92827493656202 0.94838111734435 10.811 > 53 107 B 0.00000000000000 0.42620427121058 0.17754890062235 10.811 > 55 108 B 0.50000000000000 0.42620427121058 0.17754890062235 10.811 > 55 109 B 0.25000000000000 0.25000000000000 0.13646066510891 10.811 > 57 110 B 0.75000000000000 0.25000000000000 0.13646066510891 10.811 > 57 111 B 0.16989100682767 0.56906268040397 0.34068761265997 10.811 > 59 112 B 0.66989100682767 0.56906268040397 0.34068761265997 10.811 > 59 113 C 0.00000000000000 0.88137053174135 0.62946239007785 12.011 > 113 114 C 0.50000000000000 0.88137053174135 0.62946239007785 12.011 > 113 115 C 0.25000000000000 0.11862946825865 0.12946239007785 12.011 > 115 116 C 0.75000000000000 0.11862946825865 0.12946239007785 12.011 > 115 117 C 0.25000000000000 0.88137053174135 0.87053760992215 12.011 > 117 118 C 0.75000000000000 0.88137053174135 0.87053760992215 12.011 > 117 119 C 0.00000000000000 0.11862946825865 0.37053760992215 12.011 > 119 120 C 0.50000000000000 0.11862946825865 0.37053760992215 12.011 > 119 121 C 0.25000000000000 0.38137053174135 0.12946239007785 12.011 > 113 122 C 0.75000000000000 0.38137053174135 0.12946239007785 12.011 > 113 123 C 0.00000000000000 0.61862946825865 0.62946239007785 12.011 > 115 124 C 0.50000000000000 0.61862946825865 0.62946239007785 12.011 > 115 125 C 0.00000000000000 0.38137053174135 0.37053760992215 12.011 > 117 126 C 0.50000000000000 0.38137053174135 0.37053760992215 12.011 > 117 127 C 0.25000000000000 0.61862946825865 0.87053760992215 12.011 > 119 128 C 0.75000000000000 0.61862946825865 0.87053760992215 12.011 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7301324 0.0000000 0.0000000 0.0000000 7.3541939 0.0000000 0.0000000 0.0000000 6.9414496 -------------------------- Born effective charges -------------------------- 1 Li 1.1620032 0.0000000 0.0000000 -0.0000000 1.7560685 0.0000000 0.0000000 0.0000000 1.4879441 2 Li 1.1620032 0.0000000 0.0000000 -0.0000000 1.7560685 0.0000000 0.0000000 0.0000000 1.4879441 3 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 -0.0954264 0.0000000 -0.1678333 -0.3635078 4 B 0.7652795 0.3019633 -0.4631129 0.5451408 0.0187541 -0.1597074 -0.6015678 -0.1394934 0.0786718 5 B 0.7652795 -0.3019633 -0.4631129 -0.5451408 0.0187541 0.1597074 -0.6015678 0.1394934 0.0786718 6 B 0.7652795 0.3019633 -0.4631129 0.5451408 0.0187541 -0.1597074 -0.6015678 -0.1394934 0.0786718 7 B -0.1395860 0.0130874 0.2988731 0.0324248 -0.5344150 -0.0952210 0.2236941 0.0103074 -0.0887018 8 B -0.1395860 -0.0130874 0.2988731 -0.0324248 -0.5344150 0.0952210 0.2236941 -0.0103074 -0.0887018 9 B 0.7652795 -0.3019633 0.4631129 -0.5451408 0.0187541 -0.1597074 0.6015678 -0.1394934 0.0786718 10 B 0.7652795 0.3019633 0.4631129 0.5451408 0.0187541 0.1597074 0.6015678 0.1394934 0.0786718 11 B -0.1395860 0.0130874 -0.2988731 0.0324248 -0.5344150 0.0952210 -0.2236941 -0.0103074 -0.0887018 12 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 -0.0954264 0.0000000 -0.1678333 -0.3635078 13 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 -0.6372442 0.0000000 -0.2910607 0.9051135 14 B -0.1395860 0.0130874 -0.2988731 0.0324248 -0.5344150 0.0952210 -0.2236941 -0.0103074 -0.0887018 15 B 0.7652795 -0.3019633 -0.4631129 -0.5451408 0.0187541 0.1597074 -0.6015678 0.1394934 0.0786718 16 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 0.0954264 0.0000000 0.1678333 -0.3635078 17 B 0.7652795 -0.3019633 0.4631129 -0.5451408 0.0187541 -0.1597074 0.6015678 -0.1394934 0.0786718 18 B 0.8429745 0.0000000 0.0000000 -0.0000000 4.4530499 0.0000000 0.0000000 0.0000000 0.5029265 19 B -0.1395860 -0.0130874 -0.2988731 -0.0324248 -0.5344150 -0.0952210 -0.2236941 0.0103074 -0.0887018 20 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 0.0954264 0.0000000 0.1678333 -0.3635078 21 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 0.6372442 0.0000000 0.2910607 0.9051135 22 B -0.1395860 -0.0130874 0.2988731 -0.0324248 -0.5344150 0.0952210 0.2236941 -0.0103074 -0.0887018 23 B -0.1395860 -0.0130874 -0.2988731 -0.0324248 -0.5344150 -0.0952210 -0.2236941 0.0103074 -0.0887018 24 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 0.6372442 0.0000000 0.2910607 0.9051135 25 B 0.7652795 0.3019633 0.4631129 0.5451408 0.0187541 0.1597074 0.6015678 0.1394934 0.0786718 26 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 -0.6372442 0.0000000 -0.2910607 0.9051135 27 B 0.8429745 0.0000000 0.0000000 -0.0000000 4.4530499 0.0000000 0.0000000 0.0000000 0.5029265 28 B -0.1395860 0.0130874 0.2988731 0.0324248 -0.5344150 -0.0952210 0.2236941 0.0103074 -0.0887018 29 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 -0.2781562 0.0000000 0.0125881 -1.5169812 30 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 0.2781562 0.0000000 -0.0125881 -1.5169812 31 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 0.2781562 0.0000000 -0.0125881 -1.5169812 32 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 -0.2781562 0.0000000 0.0125881 -1.5169812 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (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 21:24:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:24:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.827547155000000 5.395194735000000 4.007242020000001 b 2.827547155000000 -5.395194735000000 4.007242020000001 c 2.827547155000000 5.395194735000000 -4.007242020000001 Atomic positions (fractional): 1 Li 0.94529136838935 0.69529136838935 0.25000000000000 6.941 2 Li 0.05470863161065 0.30470863161065 0.75000000000000 6.941 3 B 0.32142776548956 0.98812680021264 0.33330096527692 10.811 4 B 0.47989381921766 0.79861176028863 0.17526781419499 10.811 5 B 0.12334394609363 0.79861176028863 0.81871794107096 10.811 6 B 0.52010618078233 0.20138823971137 0.82473218580501 10.811 7 B 0.09024970693607 0.31953037368470 0.09115530594070 10.811 8 B 0.72837506774400 0.31953037368470 0.72928066674864 10.811 9 B 0.52010618078233 0.69537399497733 0.31871794107096 10.811 10 B 0.12334394609363 0.30462600502267 0.32473218580501 10.811 11 B 0.27162493225600 0.00090559900463 0.59115530594070 10.811 12 B 0.67857223451044 0.01187319978736 0.66669903472308 10.811 13 B 0.39624682816707 0.82245109937765 0.57379572878942 10.811 14 B 0.72837506774400 0.99909440099537 0.40884469405930 10.811 15 B 0.87665605390637 0.20138823971137 0.18128205892904 10.811 16 B 0.15482583493572 0.98812680021264 0.16669903472308 10.811 17 B 0.47989381921766 0.30462600502267 0.68128205892904 10.811 18 B 0.61353933489109 0.36353933489109 0.25000000000000 10.811 19 B 0.90975029306393 0.00090559900463 0.22928066674864 10.811 20 B 0.84517416506428 0.01187319978736 0.83330096527692 10.811 21 B 0.25134462941176 0.17754890062235 0.07379572878942 10.811 22 B 0.27162493225600 0.68046962631530 0.27071933325136 10.811 23 B 0.09024970693607 0.99909440099537 0.77071933325136 10.811 24 B 0.74865537058824 0.82245109937765 0.92620427121058 10.811 25 B 0.87665605390637 0.69537399497733 0.67526781419499 10.811 26 B 0.60375317183293 0.17754890062235 0.42620427121058 10.811 27 B 0.38646066510891 0.63646066510891 0.75000000000000 10.811 28 B 0.90975029306393 0.68046962631530 0.90884469405930 10.811 29 C 0.51083292181920 0.62946239007785 0.88137053174135 12.011 30 C 0.24809185833650 0.62946239007785 0.61862946825865 12.011 31 C 0.75190814166350 0.37053760992215 0.38137053174135 12.011 32 C 0.48916707818080 0.37053760992215 0.11862946825865 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.310188620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.790389469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.014484040000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.69529136838935 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.69529136838935 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.30470863161065 6.941 > 3 4 Li 0.50000000000000 0.75000000000000 0.30470863161065 6.941 > 3 5 Li 0.25000000000000 0.75000000000000 0.19529136838935 6.941 > 1 6 Li 0.75000000000000 0.75000000000000 0.19529136838935 6.941 > 1 7 Li 0.25000000000000 0.25000000000000 0.80470863161065 6.941 > 3 8 Li 0.75000000000000 0.25000000000000 0.80470863161065 6.941 > 3 9 B 0.25000000000000 0.83330096527692 0.48812680021264 10.811 > 9 10 B 0.75000000000000 0.83330096527692 0.48812680021264 10.811 > 9 11 B 0.12349643881649 0.92827493656202 0.55161888265565 10.811 > 11 12 B 0.62349643881649 0.92827493656202 0.55161888265565 10.811 > 11 13 B 0.12349643881649 0.57172506343798 0.55161888265565 10.811 > 13 14 B 0.62349643881649 0.57172506343798 0.55161888265565 10.811 > 13 15 B 0.37650356118351 0.07172506343798 0.44838111734435 10.811 > 15 16 B 0.87650356118351 0.07172506343798 0.44838111734435 10.811 > 15 17 B 0.08010899317233 0.93093731959603 0.15931238734003 10.811 > 17 18 B 0.58010899317233 0.93093731959603 0.15931238734003 10.811 > 17 19 B 0.33010899317233 0.06906268040397 0.65931238734004 10.811 > 19 20 B 0.83010899317233 0.06906268040397 0.65931238734004 10.811 > 19 21 B 0.12349643881649 0.07172506343798 0.44838111734435 10.811 > 21 22 B 0.62349643881649 0.07172506343798 0.44838111734435 10.811 > 21 23 B 0.37650356118351 0.57172506343798 0.55161888265565 10.811 > 23 24 B 0.87650356118351 0.57172506343798 0.55161888265565 10.811 > 23 25 B 0.33010899317233 0.93093731959603 0.34068761265997 10.811 > 25 26 B 0.83010899317233 0.93093731959603 0.34068761265997 10.811 > 25 27 B 0.25000000000000 0.16669903472308 0.51187319978736 10.811 > 27 28 B 0.75000000000000 0.16669903472308 0.51187319978736 10.811 > 27 29 B 0.25000000000000 0.07379572878942 0.32245109937765 10.811 > 29 30 B 0.75000000000000 0.07379572878942 0.32245109937765 10.811 > 29 31 B 0.16989100682767 0.06906268040397 0.65931238734004 10.811 > 31 32 B 0.66989100682767 0.06906268040397 0.65931238734004 10.811 > 31 33 B 0.37650356118351 0.42827493656202 0.44838111734435 10.811 > 33 34 B 0.87650356118351 0.42827493656202 0.44838111734435 10.811 > 33 35 B 0.25000000000000 0.66669903472308 0.48812680021264 10.811 > 35 36 B 0.75000000000000 0.66669903472308 0.48812680021264 10.811 > 35 37 B 0.37650356118351 0.92827493656202 0.55161888265565 10.811 > 37 38 B 0.87650356118351 0.92827493656202 0.55161888265565 10.811 > 37 39 B 0.00000000000000 0.25000000000000 0.36353933489109 10.811 > 39 40 B 0.50000000000000 0.25000000000000 0.36353933489109 10.811 > 39 41 B 0.08010899317233 0.06906268040397 0.84068761265996 10.811 > 41 42 B 0.58010899317233 0.06906268040397 0.84068761265996 10.811 > 41 43 B 0.25000000000000 0.33330096527692 0.51187319978736 10.811 > 43 44 B 0.75000000000000 0.33330096527692 0.51187319978736 10.811 > 43 45 B 0.00000000000000 0.07379572878942 0.17754890062235 10.811 > 45 46 B 0.50000000000000 0.07379572878942 0.17754890062235 10.811 > 45 47 B 0.16989100682767 0.93093731959603 0.34068761265997 10.811 > 47 48 B 0.66989100682767 0.93093731959603 0.34068761265997 10.811 > 47 49 B 0.41989100682767 0.93093731959603 0.15931238734003 10.811 > 49 50 B 0.91989100682767 0.93093731959603 0.15931238734003 10.811 > 49 51 B 0.00000000000000 0.92620427121058 0.82245109937765 10.811 > 51 52 B 0.50000000000000 0.92620427121058 0.82245109937765 10.811 > 51 53 B 0.12349643881649 0.42827493656202 0.44838111734435 10.811 > 53 54 B 0.62349643881649 0.42827493656202 0.44838111734435 10.811 > 53 55 B 0.25000000000000 0.92620427121058 0.67754890062235 10.811 > 55 56 B 0.75000000000000 0.92620427121058 0.67754890062235 10.811 > 55 57 B 0.00000000000000 0.75000000000000 0.63646066510891 10.811 > 57 58 B 0.50000000000000 0.75000000000000 0.63646066510891 10.811 > 57 59 B 0.41989100682767 0.06906268040397 0.84068761265996 10.811 > 59 60 B 0.91989100682767 0.06906268040397 0.84068761265996 10.811 > 59 61 B 0.00000000000000 0.33330096527692 0.98812680021264 10.811 > 9 62 B 0.50000000000000 0.33330096527692 0.98812680021264 10.811 > 9 63 B 0.37349643881649 0.42827493656202 0.05161888265565 10.811 > 11 64 B 0.87349643881649 0.42827493656202 0.05161888265565 10.811 > 11 65 B 0.37349643881649 0.07172506343798 0.05161888265565 10.811 > 13 66 B 0.87349643881649 0.07172506343798 0.05161888265565 10.811 > 13 67 B 0.12650356118351 0.57172506343798 0.94838111734435 10.811 > 15 68 B 0.62650356118351 0.57172506343798 0.94838111734435 10.811 > 15 69 B 0.33010899317233 0.43093731959603 0.65931238734004 10.811 > 17 70 B 0.83010899317233 0.43093731959603 0.65931238734004 10.811 > 17 71 B 0.08010899317233 0.56906268040397 0.15931238734003 10.811 > 19 72 B 0.58010899317233 0.56906268040397 0.15931238734003 10.811 > 19 73 B 0.37349643881649 0.57172506343798 0.94838111734435 10.811 > 21 74 B 0.87349643881649 0.57172506343798 0.94838111734435 10.811 > 21 75 B 0.12650356118351 0.07172506343798 0.05161888265565 10.811 > 23 76 B 0.62650356118351 0.07172506343798 0.05161888265565 10.811 > 23 77 B 0.08010899317233 0.43093731959603 0.84068761265996 10.811 > 25 78 B 0.58010899317233 0.43093731959603 0.84068761265996 10.811 > 25 79 B 0.00000000000000 0.66669903472308 0.01187319978736 10.811 > 27 80 B 0.50000000000000 0.66669903472308 0.01187319978736 10.811 > 27 81 B 0.00000000000000 0.57379572878942 0.82245109937765 10.811 > 29 82 B 0.50000000000000 0.57379572878942 0.82245109937765 10.811 > 29 83 B 0.41989100682767 0.56906268040397 0.15931238734003 10.811 > 31 84 B 0.91989100682767 0.56906268040397 0.15931238734003 10.811 > 31 85 B 0.12650356118351 0.92827493656202 0.94838111734435 10.811 > 33 86 B 0.62650356118351 0.92827493656202 0.94838111734435 10.811 > 33 87 B 0.00000000000000 0.16669903472308 0.98812680021264 10.811 > 35 88 B 0.50000000000000 0.16669903472308 0.98812680021264 10.811 > 35 89 B 0.12650356118351 0.42827493656202 0.05161888265565 10.811 > 37 90 B 0.62650356118351 0.42827493656202 0.05161888265565 10.811 > 37 91 B 0.25000000000000 0.75000000000000 0.86353933489109 10.811 > 39 92 B 0.75000000000000 0.75000000000000 0.86353933489109 10.811 > 39 93 B 0.33010899317233 0.56906268040397 0.34068761265997 10.811 > 41 94 B 0.83010899317233 0.56906268040397 0.34068761265997 10.811 > 41 95 B 0.00000000000000 0.83330096527692 0.01187319978736 10.811 > 43 96 B 0.50000000000000 0.83330096527692 0.01187319978736 10.811 > 43 97 B 0.25000000000000 0.57379572878942 0.67754890062235 10.811 > 45 98 B 0.75000000000000 0.57379572878942 0.67754890062235 10.811 > 45 99 B 0.41989100682767 0.43093731959603 0.84068761265996 10.811 > 47 100 B 0.91989100682767 0.43093731959603 0.84068761265996 10.811 > 47 101 B 0.16989100682767 0.43093731959603 0.65931238734004 10.811 > 49 102 B 0.66989100682767 0.43093731959603 0.65931238734004 10.811 > 49 103 B 0.25000000000000 0.42620427121058 0.32245109937765 10.811 > 51 104 B 0.75000000000000 0.42620427121058 0.32245109937765 10.811 > 51 105 B 0.37349643881649 0.92827493656202 0.94838111734435 10.811 > 53 106 B 0.87349643881649 0.92827493656202 0.94838111734435 10.811 > 53 107 B 0.00000000000000 0.42620427121058 0.17754890062235 10.811 > 55 108 B 0.50000000000000 0.42620427121058 0.17754890062235 10.811 > 55 109 B 0.25000000000000 0.25000000000000 0.13646066510891 10.811 > 57 110 B 0.75000000000000 0.25000000000000 0.13646066510891 10.811 > 57 111 B 0.16989100682767 0.56906268040397 0.34068761265997 10.811 > 59 112 B 0.66989100682767 0.56906268040397 0.34068761265997 10.811 > 59 113 C 0.00000000000000 0.88137053174135 0.62946239007785 12.011 > 113 114 C 0.50000000000000 0.88137053174135 0.62946239007785 12.011 > 113 115 C 0.25000000000000 0.11862946825865 0.12946239007785 12.011 > 115 116 C 0.75000000000000 0.11862946825865 0.12946239007785 12.011 > 115 117 C 0.25000000000000 0.88137053174135 0.87053760992215 12.011 > 117 118 C 0.75000000000000 0.88137053174135 0.87053760992215 12.011 > 117 119 C 0.00000000000000 0.11862946825865 0.37053760992215 12.011 > 119 120 C 0.50000000000000 0.11862946825865 0.37053760992215 12.011 > 119 121 C 0.25000000000000 0.38137053174135 0.12946239007785 12.011 > 113 122 C 0.75000000000000 0.38137053174135 0.12946239007785 12.011 > 113 123 C 0.00000000000000 0.61862946825865 0.62946239007785 12.011 > 115 124 C 0.50000000000000 0.61862946825865 0.62946239007785 12.011 > 115 125 C 0.00000000000000 0.38137053174135 0.37053760992215 12.011 > 117 126 C 0.50000000000000 0.38137053174135 0.37053760992215 12.011 > 117 127 C 0.25000000000000 0.61862946825865 0.87053760992215 12.011 > 119 128 C 0.75000000000000 0.61862946825865 0.87053760992215 12.011 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7301324 0.0000000 0.0000000 0.0000000 7.3541939 0.0000000 0.0000000 0.0000000 6.9414496 -------------------------- Born effective charges -------------------------- 1 Li 1.1620032 0.0000000 0.0000000 -0.0000000 1.7560685 0.0000000 0.0000000 0.0000000 1.4879441 2 Li 1.1620032 0.0000000 0.0000000 -0.0000000 1.7560685 0.0000000 0.0000000 0.0000000 1.4879441 3 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 -0.0954264 0.0000000 -0.1678333 -0.3635078 4 B 0.7652795 0.3019633 -0.4631129 0.5451408 0.0187541 -0.1597074 -0.6015678 -0.1394934 0.0786718 5 B 0.7652795 -0.3019633 -0.4631129 -0.5451408 0.0187541 0.1597074 -0.6015678 0.1394934 0.0786718 6 B 0.7652795 0.3019633 -0.4631129 0.5451408 0.0187541 -0.1597074 -0.6015678 -0.1394934 0.0786718 7 B -0.1395860 0.0130874 0.2988731 0.0324248 -0.5344150 -0.0952210 0.2236941 0.0103074 -0.0887018 8 B -0.1395860 -0.0130874 0.2988731 -0.0324248 -0.5344150 0.0952210 0.2236941 -0.0103074 -0.0887018 9 B 0.7652795 -0.3019633 0.4631129 -0.5451408 0.0187541 -0.1597074 0.6015678 -0.1394934 0.0786718 10 B 0.7652795 0.3019633 0.4631129 0.5451408 0.0187541 0.1597074 0.6015678 0.1394934 0.0786718 11 B -0.1395860 0.0130874 -0.2988731 0.0324248 -0.5344150 0.0952210 -0.2236941 -0.0103074 -0.0887018 12 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 -0.0954264 0.0000000 -0.1678333 -0.3635078 13 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 -0.6372442 0.0000000 -0.2910607 0.9051135 14 B -0.1395860 0.0130874 -0.2988731 0.0324248 -0.5344150 0.0952210 -0.2236941 -0.0103074 -0.0887018 15 B 0.7652795 -0.3019633 -0.4631129 -0.5451408 0.0187541 0.1597074 -0.6015678 0.1394934 0.0786718 16 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 0.0954264 0.0000000 0.1678333 -0.3635078 17 B 0.7652795 -0.3019633 0.4631129 -0.5451408 0.0187541 -0.1597074 0.6015678 -0.1394934 0.0786718 18 B 0.8429745 0.0000000 0.0000000 -0.0000000 4.4530499 0.0000000 0.0000000 0.0000000 0.5029265 19 B -0.1395860 -0.0130874 -0.2988731 -0.0324248 -0.5344150 -0.0952210 -0.2236941 0.0103074 -0.0887018 20 B -0.2604632 0.0000000 0.0000000 -0.0000000 0.3093326 0.0954264 0.0000000 0.1678333 -0.3635078 21 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 0.6372442 0.0000000 0.2910607 0.9051135 22 B -0.1395860 -0.0130874 0.2988731 -0.0324248 -0.5344150 0.0952210 0.2236941 -0.0103074 -0.0887018 23 B -0.1395860 -0.0130874 -0.2988731 -0.0324248 -0.5344150 -0.0952210 -0.2236941 0.0103074 -0.0887018 24 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 0.6372442 0.0000000 0.2910607 0.9051135 25 B 0.7652795 0.3019633 0.4631129 0.5451408 0.0187541 0.1597074 0.6015678 0.1394934 0.0786718 26 B -0.2320175 0.0000000 0.0000000 -0.0000000 -0.0808351 -0.6372442 0.0000000 -0.2910607 0.9051135 27 B 0.8429745 0.0000000 0.0000000 -0.0000000 4.4530499 0.0000000 0.0000000 0.0000000 0.5029265 28 B -0.1395860 0.0130874 0.2988731 0.0324248 -0.5344150 -0.0952210 0.2236941 0.0103074 -0.0887018 29 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 -0.2781562 0.0000000 0.0125881 -1.5169812 30 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 0.2781562 0.0000000 -0.0125881 -1.5169812 31 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 0.2781562 0.0000000 -0.0125881 -1.5169812 32 C -1.7613951 0.0000000 0.0000000 -0.0000000 -2.3017348 -0.2781562 0.0000000 0.0125881 -1.5169812 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 3 180 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 6 6 0 ] 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: 0.66, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 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 2.426 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.560 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 13.212 ( 0.000 0.000 0.000) 0.000 13.225 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 14.824 ( 0.000 0.000 0.000) 0.000 15.237 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.444 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.007 ( 0.000 0.000 0.000) 0.000 17.210 ( 0.000 0.000 0.000) 0.000 17.238 ( 0.000 0.000 0.000) 0.000 17.271 ( 0.000 0.000 0.000) 0.000 17.760 ( 0.000 0.000 0.000) 0.000 17.865 ( 0.000 0.000 0.000) 0.000 17.925 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.343 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 19.015 ( 0.000 0.000 0.000) 0.000 19.530 ( 0.000 0.000 0.000) 0.000 19.534 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 19.945 ( 0.000 0.000 0.000) 0.000 21.058 ( 0.000 0.000 0.000) 0.000 21.160 ( 0.000 0.000 0.000) 0.000 21.277 ( 0.000 0.000 0.000) 0.000 21.281 ( 0.000 0.000 0.000) 0.000 21.437 ( 0.000 0.000 0.000) 0.000 21.519 ( 0.000 0.000 0.000) 0.000 21.753 ( 0.000 0.000 0.000) 0.000 22.136 ( 0.000 0.000 0.000) 0.000 22.265 ( 0.000 0.000 0.000) 0.000 22.474 ( 0.000 0.000 0.000) 0.000 22.496 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.658 ( 0.000 0.000 0.000) 0.000 22.666 ( 0.000 0.000 0.000) 0.000 22.795 ( 0.000 0.000 0.000) 0.000 23.235 ( 0.000 0.000 0.000) 0.000 23.341 ( 0.000 0.000 0.000) 0.000 23.491 ( 0.000 0.000 0.000) 0.000 23.665 ( 0.000 0.000 0.000) 0.000 24.174 ( 0.000 0.000 0.000) 0.000 24.362 ( 0.000 0.000 0.000) 0.000 24.984 ( 0.000 0.000 0.000) 0.000 25.015 ( 0.000 0.000 0.000) 0.000 25.333 ( 0.000 0.000 0.000) 0.000 25.611 ( 0.000 0.000 0.000) 0.000 25.966 ( 0.000 0.000 0.000) 0.000 26.018 ( 0.000 0.000 0.000) 0.000 26.022 ( 0.000 0.000 0.000) 0.000 26.325 ( 0.000 0.000 0.000) 0.000 26.508 ( 0.000 0.000 0.000) 0.000 28.078 ( 0.000 0.000 0.000) 0.000 28.167 ( 0.000 0.000 0.000) 0.000 28.628 ( 0.000 0.000 0.000) 0.000 28.777 ( 0.000 0.000 0.000) 0.000 29.161 ( 0.000 0.000 0.000) 0.000 29.675 ( 0.000 0.000 0.000) 0.000 29.687 ( 0.000 0.000 0.000) 0.000 29.744 ( 0.000 0.000 0.000) 0.000 30.009 ( 0.000 0.000 0.000) 0.000 30.153 ( 0.000 0.000 0.000) 0.000 30.925 ( 0.000 0.000 0.000) 0.000 30.986 ( 0.000 0.000 0.000) 0.000 31.063 ( 0.000 0.000 0.000) 0.000 31.138 ( 0.000 0.000 0.000) 0.000 31.243 ( 0.000 0.000 0.000) 0.000 32.104 ( 0.000 0.000 0.000) 0.000 32.318 ( 0.000 0.000 0.000) 0.000 32.870 ( 0.000 0.000 0.000) 0.000 34.384 ( 0.000 0.000 0.000) 0.000 34.912 ( 0.000 0.000 0.000) 0.000 49.639 ( 0.000 0.000 0.000) 0.000 49.760 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 43.783 0.000 30.282) 53.235 4.468 ( 38.883 0.000 -9.921) 40.129 5.857 ( 24.301 -0.000 32.519) 40.596 6.564 ( -4.559 -0.000 1.168) 4.706 6.734 ( 9.046 0.000 2.838) 9.481 7.149 ( 13.096 0.000 2.377) 13.310 7.426 ( -6.380 -0.000 2.533) 6.864 7.705 ( -7.710 -0.000 3.089) 8.306 9.451 ( 10.078 0.000 -47.603) 48.658 9.681 ( 27.120 0.000 19.917) 33.648 10.088 ( 54.280 0.000 45.846) 71.050 10.636 ( 2.697 0.000 -1.233) 2.965 10.834 ( -32.896 -0.000 -16.719) 36.900 11.068 ( -36.608 -0.000 16.538) 40.170 11.244 ( -0.546 0.000 -7.661) 7.681 11.893 ( -2.106 0.000 -18.394) 18.514 12.079 ( -11.380 -0.000 4.050) 12.079 12.816 ( 8.273 -0.000 10.346) 13.247 13.516 ( -1.228 0.000 -4.122) 4.301 13.815 ( 50.553 0.000 -23.115) 55.587 14.396 ( 9.630 0.000 4.377) 10.578 14.525 ( 11.018 0.000 -9.655) 14.650 15.069 ( 17.362 -0.000 18.997) 25.736 15.462 ( 27.702 0.000 -2.450) 27.810 15.479 ( -5.938 0.000 -18.308) 19.247 16.198 ( 12.036 0.000 -11.530) 16.667 16.200 ( 0.236 0.000 -6.533) 6.537 16.490 ( -5.711 -0.000 1.192) 5.834 16.921 ( -5.973 0.000 -19.946) 20.821 17.065 ( 9.724 0.000 -4.310) 10.636 17.167 ( -1.033 -0.000 5.592) 5.687 17.214 ( -31.701 -0.000 13.922) 34.624 17.536 ( -9.809 -0.000 -1.046) 9.865 17.638 ( -1.505 -0.000 7.768) 7.912 17.861 ( -0.313 -0.000 11.138) 11.143 18.300 ( -2.362 -0.000 19.596) 19.738 18.665 ( 2.531 0.000 -1.890) 3.159 18.708 ( -8.588 0.000 -17.783) 19.749 18.935 ( 15.841 0.000 -7.462) 17.511 19.145 ( -14.282 -0.000 2.336) 14.471 19.227 ( -9.795 0.000 -12.661) 16.007 19.458 ( -10.149 -0.000 8.118) 12.997 20.004 ( -22.105 -0.000 -13.483) 25.893 20.080 ( 2.937 -0.000 17.396) 17.642 20.116 ( -8.692 -0.000 3.525) 9.380 20.503 ( 14.610 0.000 -2.679) 14.854 20.795 ( -3.311 0.000 -3.799) 5.039 20.955 ( -11.672 -0.000 -2.447) 11.926 21.798 ( 3.359 -0.000 8.482) 9.123 21.871 ( -2.617 0.000 -4.457) 5.169 21.928 ( 0.305 0.000 0.098) 0.321 22.064 ( -13.391 -0.000 20.178) 24.217 22.239 ( 1.859 0.000 -2.266) 2.931 22.256 ( -1.050 -0.000 4.595) 4.714 22.403 ( -1.423 -0.000 10.030) 10.130 22.464 ( 3.323 0.000 3.120) 4.558 22.673 ( -1.548 -0.000 0.267) 1.571 22.825 ( -0.445 0.000 -3.564) 3.591 22.899 ( 3.750 0.000 -6.866) 7.823 23.343 ( 8.360 0.000 -3.871) 9.213 23.355 ( -9.005 -0.000 -7.018) 11.417 23.600 ( -5.421 -0.000 3.706) 6.566 23.738 ( -4.925 -0.000 -0.917) 5.010 23.891 ( -1.950 0.000 -3.038) 3.610 24.051 ( -8.248 -0.000 -3.258) 8.868 24.126 ( -7.960 -0.000 0.488) 7.975 24.497 ( 3.847 0.000 -1.182) 4.024 24.909 ( -6.331 -0.000 0.343) 6.340 25.047 ( -5.701 -0.000 -4.796) 7.450 25.614 ( -0.489 0.000 -1.763) 1.829 26.216 ( 6.686 0.000 1.149) 6.784 26.335 ( 5.518 0.000 -2.544) 6.076 26.639 ( 5.046 -0.000 6.484) 8.216 26.835 ( -0.160 -0.000 0.040) 0.165 28.355 ( 2.919 -0.000 4.525) 5.385 28.523 ( 0.176 0.000 -5.070) 5.073 28.753 ( 10.292 0.000 -1.821) 10.452 28.929 ( 5.710 0.000 0.598) 5.741 29.284 ( -5.712 -0.000 -2.452) 6.216 29.380 ( -4.773 -0.000 -2.837) 5.552 29.627 ( -2.050 -0.000 0.596) 2.135 29.853 ( 1.763 -0.000 7.873) 8.068 29.953 ( -2.275 -0.000 3.958) 4.565 30.186 ( 1.999 0.000 -0.661) 2.105 30.373 ( -9.759 -0.000 -1.882) 9.938 30.579 ( -6.080 -0.000 -0.753) 6.126 31.097 ( -4.030 -0.000 2.996) 5.022 31.445 ( 6.036 0.000 -0.930) 6.108 31.637 ( 6.115 0.000 0.868) 6.176 32.277 ( 5.085 0.000 -2.019) 5.471 32.693 ( -1.382 0.000 -4.106) 4.332 33.162 ( 5.245 0.000 -0.118) 5.247 34.385 ( 0.174 -0.000 0.539) 0.566 34.858 ( -0.477 0.000 -1.463) 1.539 49.652 ( 3.025 0.000 0.157) 3.029 49.874 ( -4.481 -0.000 5.459) 7.062 ======================= Grid point 3 (3/105) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 32.660 -0.203 -1.145) 32.680 5.123 ( 8.224 53.835 15.930) 56.742 6.114 ( 15.211 9.183 68.548) 70.813 6.272 ( 8.615 -8.158 -40.160) 41.876 6.551 ( 2.819 -16.321 -14.831) 22.233 6.740 ( 6.409 -3.188 -6.150) 9.437 6.979 ( 22.965 -10.936 -9.911) 27.299 7.722 ( -12.954 -2.745 3.174) 13.616 8.317 ( -3.042 2.751 3.851) 5.626 8.460 ( 23.567 -4.319 15.237) 28.394 9.543 ( 13.351 -4.457 2.750) 14.342 10.016 ( 16.472 -11.366 -20.478) 28.633 11.258 ( -16.500 20.693 5.737) 27.081 11.668 ( -25.430 -17.747 -3.201) 31.175 11.917 ( -7.940 15.978 11.406) 21.176 12.275 ( -10.103 -20.282 -12.500) 25.878 12.444 ( 16.737 19.660 -2.234) 25.916 12.580 ( 16.242 6.288 -4.456) 17.978 12.957 ( 5.683 -13.646 0.722) 14.800 13.238 ( -3.030 3.851 -9.762) 10.923 13.271 ( -0.260 -12.734 8.482) 15.302 13.649 ( 19.205 -1.514 -1.097) 19.296 13.770 ( 10.073 -11.619 4.394) 15.993 14.688 ( 9.048 -4.298 3.681) 10.672 15.321 ( -6.762 9.234 -5.514) 12.704 15.759 ( 12.430 16.941 -5.819) 21.802 16.661 ( -2.944 9.717 -5.257) 11.433 16.878 ( 4.619 -11.634 2.932) 12.856 16.923 ( -9.392 -3.273 5.221) 11.233 17.104 ( 0.341 4.206 1.295) 4.414 17.260 ( -0.266 2.544 1.428) 2.930 17.377 ( 1.985 -8.742 2.204) 9.231 17.837 ( 2.915 8.823 -2.650) 9.663 18.056 ( 1.982 12.193 7.612) 14.511 18.215 ( -3.335 -16.212 -4.259) 17.090 18.489 ( -8.167 -0.952 3.200) 8.823 18.612 ( -7.886 -7.349 -0.236) 10.782 18.758 ( -8.402 -2.223 3.168) 9.250 19.165 ( 3.634 -2.228 2.892) 5.151 19.235 ( 8.114 6.482 -6.894) 12.465 19.597 ( 2.971 38.747 -4.232) 39.091 19.689 ( 1.274 2.437 4.441) 5.224 19.880 ( 3.456 0.044 -1.217) 3.665 20.379 ( -9.590 -4.312 -9.414) 14.113 20.456 ( -5.891 -0.004 -3.351) 6.778 20.666 ( 2.885 -29.185 5.723) 29.881 20.922 ( -15.121 -0.198 2.695) 15.361 21.295 ( 1.517 -9.688 3.823) 10.525 21.402 ( -3.626 5.404 -2.491) 6.968 21.875 ( 0.878 1.315 -9.593) 9.722 21.932 ( -6.414 -5.229 5.793) 10.102 22.026 ( -1.762 -1.197 -0.850) 2.293 22.135 ( -0.974 0.450 0.425) 1.154 22.305 ( 1.435 2.256 0.802) 2.792 22.350 ( -2.457 -1.318 0.872) 2.921 22.605 ( 3.452 2.733 3.058) 5.361 22.855 ( -5.340 3.666 -6.831) 9.414 23.058 ( -1.028 -1.982 4.344) 4.884 23.281 ( -9.169 2.196 4.889) 10.621 23.425 ( -0.178 5.220 5.749) 7.767 23.517 ( -11.655 -0.968 -3.966) 12.350 23.641 ( -4.757 -6.419 -7.124) 10.705 23.931 ( -4.665 0.846 -0.587) 4.777 24.037 ( 4.072 -0.390 -3.322) 5.270 24.115 ( 2.260 3.144 2.307) 4.507 24.288 ( 6.888 1.594 6.451) 9.571 24.410 ( 6.290 -2.256 -4.988) 8.339 24.974 ( -2.991 2.067 0.825) 3.728 25.178 ( -6.902 6.926 0.238) 9.781 25.412 ( -2.921 -9.506 -2.344) 10.217 25.836 ( 7.143 -0.911 -0.446) 7.215 26.082 ( 8.288 0.962 0.314) 8.350 26.797 ( -3.779 1.461 -4.823) 6.299 26.866 ( -4.588 -1.572 4.531) 6.637 28.194 ( 6.708 0.560 1.093) 6.820 28.277 ( 3.725 -1.968 -1.100) 4.354 28.512 ( 2.054 -0.672 1.528) 2.647 28.913 ( 1.231 1.147 0.738) 1.837 29.533 ( -4.841 1.168 -0.262) 4.987 29.618 ( -3.351 6.519 -3.421) 8.089 29.729 ( 0.128 3.414 -2.350) 4.146 29.884 ( -0.898 -6.587 8.698) 10.948 30.006 ( 5.177 2.964 -3.509) 6.921 30.195 ( -0.636 -3.034 3.561) 4.721 30.656 ( -4.610 -3.601 -2.088) 6.211 30.726 ( -6.846 -0.602 -0.362) 6.882 31.280 ( -3.070 2.323 0.519) 3.885 31.441 ( -4.288 -0.453 0.693) 4.367 31.531 ( 4.499 5.684 2.139) 7.558 31.692 ( 6.501 -7.988 -3.510) 10.881 32.623 ( 4.881 2.264 -4.206) 6.830 32.811 ( 6.232 -1.519 3.498) 7.306 34.537 ( 0.253 4.506 1.366) 4.715 34.703 ( -0.258 -4.464 -1.476) 4.709 49.694 ( -0.524 1.675 -0.436) 1.808 50.378 ( -6.261 1.602 4.132) 7.670 ======================= Grid point 4 (4/105) ======================= q-point: (-0.61 0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.015 ( 34.940 5.902 1.420) 35.463 5.729 ( -25.148 -5.377 3.024) 25.893 6.094 ( -4.875 34.801 0.104) 35.141 6.695 ( 0.655 -18.618 2.344) 18.776 6.979 ( 26.055 4.443 -6.323) 27.177 7.220 ( 5.826 2.045 -0.806) 6.227 7.460 ( -9.972 -7.136 -3.413) 12.728 7.628 ( 1.335 -29.955 -4.744) 30.357 8.737 ( 10.601 1.203 0.269) 10.672 9.165 ( -24.298 -0.432 12.368) 27.268 9.720 ( -2.296 -1.974 -6.154) 6.859 9.879 ( -3.000 -7.104 -7.787) 10.960 11.124 ( 15.580 10.057 22.238) 28.955 11.366 ( 13.931 -10.314 1.238) 17.378 12.235 ( 2.429 22.611 -3.504) 23.010 12.391 ( 17.029 -0.247 -3.781) 17.445 12.696 ( -8.246 1.632 -8.821) 12.184 12.790 ( -0.585 -0.448 -13.401) 13.422 13.578 ( 9.093 27.391 2.324) 28.954 14.053 ( 21.464 0.638 -5.067) 22.063 14.161 ( -1.836 -8.918 -3.517) 9.761 14.201 ( -7.881 -1.723 -4.266) 9.126 14.643 ( -2.854 -15.399 8.007) 17.589 14.949 ( -5.967 -24.325 -4.882) 25.517 15.335 ( 15.922 19.288 -2.912) 25.180 16.035 ( -15.033 -14.407 1.229) 20.859 16.383 ( -5.992 6.425 -3.087) 9.312 16.718 ( -0.914 -19.692 -1.725) 19.788 16.951 ( 0.650 -3.731 5.613) 6.771 17.066 ( -9.455 0.819 9.969) 13.764 17.553 ( 1.256 12.934 0.192) 12.996 17.653 ( -3.652 7.468 4.712) 9.556 17.952 ( 3.016 2.617 10.350) 11.093 18.038 ( -1.356 10.409 2.945) 10.902 18.197 ( 0.643 -0.679 3.341) 3.469 18.302 ( 10.681 -4.923 14.673) 18.804 18.465 ( -0.757 9.788 2.345) 10.094 18.688 ( -0.165 -11.476 7.421) 13.667 18.839 ( 2.779 -0.801 2.135) 3.595 19.076 ( -0.120 -16.492 3.202) 16.800 19.358 ( 0.816 17.652 1.362) 17.724 19.506 ( -2.687 15.710 -1.872) 16.048 19.651 ( -3.509 16.560 -8.367) 18.882 19.778 ( 9.090 3.228 -8.485) 12.847 20.135 ( -8.460 7.292 -1.491) 11.267 20.369 ( -0.743 -5.523 -1.161) 5.692 20.595 ( 2.122 -7.831 -17.457) 19.250 20.790 ( -7.807 -22.409 -3.738) 24.022 21.245 ( 4.153 9.333 -3.679) 10.858 21.498 ( -1.346 -7.321 0.578) 7.466 21.768 ( -3.466 0.197 -3.959) 5.266 21.862 ( 0.072 -4.657 -5.940) 7.548 22.152 ( 4.647 -6.524 1.133) 8.090 22.183 ( -6.561 1.523 -0.358) 6.745 22.446 ( 1.820 -1.299 4.218) 4.774 22.486 ( -3.321 -1.134 4.158) 5.441 22.852 ( 2.330 0.401 3.510) 4.232 22.924 ( -2.170 2.907 0.284) 3.638 22.966 ( 0.109 -3.115 -0.389) 3.141 23.005 ( -8.778 1.360 -0.219) 8.885 23.515 ( 4.118 -0.772 2.621) 4.942 23.670 ( -11.046 -0.577 3.391) 11.570 23.912 ( 4.901 -2.160 1.422) 5.541 23.962 ( -1.845 0.999 2.785) 3.487 24.227 ( -7.170 10.452 -1.213) 12.733 24.317 ( 6.692 -3.392 -5.138) 9.093 24.330 ( -4.220 8.414 -0.920) 9.457 24.564 ( 1.878 -9.377 -2.526) 9.891 25.005 ( -0.708 16.640 0.837) 16.676 25.316 ( -1.197 -13.950 -1.176) 14.050 26.360 ( 5.441 0.721 2.134) 5.889 26.429 ( -1.195 -0.085 3.058) 3.284 26.684 ( 6.524 0.510 -2.976) 7.189 26.783 ( -2.831 -0.125 -3.029) 4.148 28.447 ( 3.156 -0.841 0.388) 3.289 28.492 ( -2.832 0.662 0.307) 2.924 28.968 ( 6.990 -2.876 0.931) 7.616 29.006 ( 0.002 0.611 -0.485) 0.780 29.380 ( 0.053 1.714 3.162) 3.597 29.413 ( -1.755 4.706 3.184) 5.947 29.562 ( -1.352 0.919 -1.342) 2.115 29.693 ( -5.407 -6.487 -2.069) 8.695 29.988 ( 4.239 4.290 -4.737) 7.669 30.131 ( -5.882 0.217 -1.381) 6.046 30.380 ( -1.907 3.047 1.373) 3.848 30.452 ( -1.283 -5.397 2.203) 5.968 31.212 ( -3.810 4.909 0.823) 6.268 31.276 ( 3.713 -8.537 -0.411) 9.319 31.897 ( -0.283 7.771 0.728) 7.810 32.004 ( 4.736 -8.861 -0.027) 10.047 32.885 ( 4.653 10.214 -0.802) 11.252 33.104 ( -0.704 -7.364 -0.118) 7.399 34.581 ( -1.070 7.563 0.456) 7.652 34.696 ( 1.397 -6.661 0.270) 6.811 49.751 ( 4.121 1.354 0.117) 4.340 49.929 ( -10.306 -2.761 1.299) 10.748 ======================= Grid point 5 (5/105) ======================= q-point: ( 0.39 -0.23 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( -44.472 -11.187 -5.097) 46.140 4.189 ( -67.566 9.226 33.491) 75.973 4.915 ( -18.554 89.244 7.483) 91.459 6.298 ( -43.947 -1.677 9.833) 45.065 6.739 ( -13.302 12.100 16.213) 24.212 6.978 ( -15.366 -8.143 10.572) 20.352 7.041 ( -14.817 8.104 8.259) 18.800 7.620 ( 1.517 5.740 0.600) 5.967 8.012 ( 9.612 3.710 10.903) 15.001 9.236 ( -2.419 -30.754 -9.908) 32.401 9.671 ( -1.867 -9.225 -25.790) 27.454 10.697 ( 3.036 -3.665 -4.043) 6.245 10.791 ( 10.696 3.411 1.669) 11.350 11.441 ( 4.598 4.688 11.342) 13.106 11.960 ( 30.504 -8.980 -11.966) 33.975 12.568 ( -4.821 1.290 7.827) 9.283 12.716 ( -17.449 9.009 5.207) 20.316 12.891 ( -8.920 8.509 -3.031) 12.695 13.079 ( -16.613 -20.198 1.488) 26.195 13.436 ( -21.797 18.795 -13.786) 31.913 13.555 ( 5.832 -37.414 -13.951) 40.354 13.891 ( -13.142 2.661 2.799) 13.698 14.716 ( -1.415 1.011 -11.609) 11.739 14.877 ( 0.975 0.405 -0.872) 1.369 15.473 ( 4.596 -18.872 -3.827) 19.797 16.377 ( 4.937 8.921 -6.791) 12.251 16.641 ( -3.673 -3.855 -0.685) 5.369 16.775 ( 0.614 -4.032 -5.502) 6.849 16.877 ( 2.754 -11.669 2.742) 12.299 17.250 ( 1.274 17.444 -4.800) 18.137 17.317 ( -8.901 11.572 -4.782) 15.362 17.585 ( -7.294 5.130 -17.110) 19.295 17.720 ( 1.688 5.233 5.875) 8.047 17.883 ( -5.898 16.051 1.359) 17.154 18.114 ( -3.405 -12.766 -0.697) 13.230 18.272 ( 2.965 9.843 -0.513) 10.293 18.432 ( 7.704 6.374 5.891) 11.606 18.731 ( -1.180 6.341 5.740) 8.634 18.896 ( -1.089 -20.313 9.548) 22.472 19.197 ( 12.911 -5.788 0.786) 14.171 19.236 ( -11.821 -3.160 6.600) 13.903 19.700 ( 9.351 2.732 2.901) 10.165 19.959 ( 3.848 36.593 -1.043) 36.809 20.232 ( 12.825 -0.400 -0.737) 12.853 20.477 ( -2.894 -11.919 10.542) 16.173 20.577 ( 12.670 -12.210 -1.487) 17.658 20.712 ( 6.530 -21.913 -3.577) 23.144 20.878 ( 4.121 -4.893 9.680) 11.603 21.340 ( -3.265 -3.461 -1.110) 4.886 21.541 ( 6.115 -4.606 5.401) 9.369 21.763 ( -5.221 2.882 6.328) 8.695 21.841 ( 3.603 0.103 0.325) 3.619 21.924 ( 1.680 -0.673 14.892) 15.002 22.372 ( 2.666 0.553 -3.283) 4.265 22.414 ( 2.707 0.028 -2.903) 3.970 22.631 ( 3.956 1.977 -3.403) 5.580 22.858 ( 0.978 4.351 -2.603) 5.164 22.904 ( -4.199 -0.171 -3.876) 5.717 23.046 ( 2.829 3.799 -0.432) 4.756 23.412 ( -8.043 4.081 1.541) 9.150 23.535 ( 9.058 -6.320 -6.019) 12.578 23.648 ( 5.354 -0.196 -0.475) 5.379 23.815 ( -3.801 -3.101 0.232) 4.911 23.966 ( -8.909 8.888 7.198) 14.498 24.351 ( 1.545 -3.843 -9.471) 10.337 24.422 ( 18.034 4.407 -4.724) 19.156 24.735 ( 14.784 5.059 -4.369) 16.225 24.862 ( 10.402 -5.647 4.046) 12.508 25.261 ( 3.714 3.447 0.439) 5.087 25.455 ( 5.542 -14.061 -5.151) 15.967 26.099 ( -8.223 -2.128 -3.787) 9.300 26.334 ( -3.656 0.497 -3.370) 4.997 26.360 ( -7.468 -0.193 5.217) 9.112 26.773 ( -1.599 1.030 6.629) 6.896 28.234 ( -4.443 2.810 2.444) 5.797 28.549 ( -7.395 -2.903 -7.100) 10.654 28.567 ( -4.485 3.582 -0.162) 5.743 28.869 ( -4.192 -0.426 4.529) 6.186 29.502 ( 1.240 -0.794 1.121) 1.851 29.548 ( 3.162 -1.057 -0.561) 3.381 29.680 ( 2.881 0.012 -0.457) 2.917 29.800 ( 5.681 10.556 -1.280) 12.056 29.928 ( -1.632 -0.376 3.714) 4.074 30.251 ( 0.186 6.550 0.511) 6.573 30.540 ( 8.735 -5.031 -2.427) 10.369 30.650 ( 6.846 -3.129 0.197) 7.530 31.124 ( 2.213 2.221 3.112) 4.418 31.348 ( 0.827 0.353 -1.223) 1.518 31.585 ( -8.890 5.706 1.465) 10.665 31.968 ( -5.427 -10.285 -2.528) 11.901 32.758 ( -11.760 -10.116 1.121) 15.553 32.962 ( -1.017 5.279 -1.716) 5.643 34.516 ( -1.028 5.986 0.198) 6.076 34.756 ( 0.952 -6.039 -1.063) 6.205 49.661 ( -0.365 0.698 0.827) 1.142 50.297 ( 15.361 13.775 -4.968) 21.222 ======================= Grid point 6 (6/105) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 29.119 -100.641 -0.000) 104.769 3.713 ( 85.829 -4.771 -0.000) 85.961 4.059 ( 36.557 20.918 0.000) 42.118 5.755 ( 127.173 -9.206 -0.000) 127.506 6.497 ( 4.065 1.401 0.000) 4.299 6.992 ( 6.737 -0.492 -0.000) 6.755 7.001 ( -14.105 1.506 0.000) 14.185 7.623 ( -13.556 -14.492 -0.000) 19.844 7.671 ( -5.429 -0.964 -0.000) 5.514 9.777 ( -16.027 12.835 0.000) 20.533 10.254 ( -1.441 25.773 0.000) 25.813 10.613 ( 3.221 -2.050 -0.000) 3.818 11.029 ( -4.942 -2.554 -0.000) 5.563 11.168 ( 19.597 -3.308 -0.000) 19.875 12.160 ( -17.361 -0.725 0.000) 17.376 12.296 ( 21.079 -14.495 -0.000) 25.582 12.501 ( -30.532 2.070 0.000) 30.602 12.731 ( 10.274 -17.419 -0.000) 20.224 13.273 ( 0.538 8.878 0.000) 8.894 13.485 ( 24.047 8.420 0.000) 25.478 13.813 ( 16.859 -3.541 -0.000) 17.227 14.593 ( -2.718 -1.478 -0.000) 3.094 14.687 ( -15.303 47.376 0.000) 49.786 15.065 ( -6.344 3.334 0.000) 7.166 15.997 ( 6.999 26.556 0.000) 27.463 16.239 ( -7.785 -6.000 -0.000) 9.829 16.604 ( 1.955 -8.201 -0.000) 8.431 16.763 ( 3.395 -2.045 -0.000) 3.963 16.989 ( -0.555 -19.335 -0.000) 19.343 17.100 ( 14.241 -8.070 -0.000) 16.369 17.279 ( -8.773 16.238 0.000) 18.456 17.436 ( -4.314 -23.960 -0.000) 24.345 17.549 ( 9.072 -3.432 -0.000) 9.700 17.798 ( 5.717 -24.656 -0.000) 25.310 17.824 ( -5.594 -5.675 -0.000) 7.969 18.106 ( -10.236 -7.338 -0.000) 12.594 18.562 ( 9.296 10.100 0.000) 13.727 18.756 ( 27.234 9.782 0.000) 28.937 19.009 ( 6.285 6.834 0.000) 9.284 19.199 ( -12.627 -26.631 -0.000) 29.473 19.328 ( -11.733 18.520 0.000) 21.923 19.355 ( 10.259 15.024 0.000) 18.192 19.928 ( 2.190 -9.751 -0.000) 9.994 19.962 ( -14.657 -9.709 -0.000) 17.581 20.231 ( -10.803 -2.216 -0.000) 11.028 20.759 ( -6.179 7.226 0.000) 9.508 20.929 ( -14.459 -1.441 -0.000) 14.531 21.316 ( -12.061 -9.439 -0.000) 15.315 21.351 ( -0.682 19.352 0.000) 19.364 21.647 ( 1.317 14.175 0.000) 14.236 21.739 ( -10.619 13.318 0.000) 17.033 21.749 ( 5.745 3.761 0.000) 6.867 21.844 ( 2.174 -0.134 -0.000) 2.178 22.353 ( -4.137 -4.100 -0.000) 5.825 22.449 ( 0.328 -0.583 -0.000) 0.669 22.609 ( -5.569 -7.185 -0.000) 9.090 22.776 ( 0.146 -3.803 -0.000) 3.806 22.994 ( -2.023 -1.797 -0.000) 2.706 23.053 ( 7.741 1.701 0.000) 7.926 23.352 ( 8.214 6.243 0.000) 10.317 23.611 ( 8.068 -3.411 -0.000) 8.760 23.686 ( 3.588 -1.347 -0.000) 3.832 23.715 ( -6.503 -5.828 -0.000) 8.732 23.927 ( -5.673 6.404 0.000) 8.556 24.244 ( -1.887 -12.910 -0.000) 13.047 24.514 ( -18.075 -0.824 0.000) 18.094 24.750 ( -28.098 1.939 0.000) 28.165 24.922 ( -4.449 2.151 0.000) 4.941 25.235 ( -6.306 2.169 0.000) 6.669 25.723 ( -5.810 8.096 0.000) 9.965 26.193 ( 5.366 1.505 0.000) 5.573 26.274 ( 10.615 0.460 -0.000) 10.624 26.427 ( 3.309 -1.145 -0.000) 3.501 26.637 ( 4.109 -0.695 -0.000) 4.168 28.151 ( 3.388 -1.897 -0.000) 3.883 28.503 ( 8.644 -2.346 -0.000) 8.957 28.750 ( 7.130 4.763 0.000) 8.575 28.815 ( 4.256 1.931 0.000) 4.674 29.407 ( 3.571 -10.294 -0.000) 10.896 29.557 ( -5.207 -0.153 0.000) 5.210 29.607 ( -4.627 -3.621 -0.000) 5.875 29.695 ( -2.280 0.331 0.000) 2.303 29.958 ( -0.395 2.307 0.000) 2.341 30.131 ( -3.152 -4.367 -0.000) 5.386 30.626 ( -9.358 1.178 0.000) 9.432 30.712 ( -6.217 3.449 0.000) 7.110 31.050 ( -2.384 -0.959 -0.000) 2.569 31.364 ( 3.541 0.358 0.000) 3.559 31.480 ( 9.210 -3.833 -0.000) 9.976 32.171 ( 4.927 7.567 0.000) 9.029 32.887 ( -1.253 -4.293 -0.000) 4.472 32.979 ( 9.395 12.127 0.000) 15.340 34.417 ( 0.211 -4.123 -0.000) 4.129 34.864 ( -0.494 4.060 0.000) 4.090 49.636 ( 0.489 -0.660 -0.000) 0.821 50.003 ( -11.682 -21.438 -0.000) 24.414 ======================= Grid point 7 (7/105) ======================= q-point: (-0.21 0.54 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( -31.005 -2.132 1.169) 31.100 5.271 ( 2.546 -33.376 -3.447) 33.650 5.818 ( 28.835 0.325 -1.827) 28.895 6.837 ( -4.339 6.951 -0.593) 8.216 7.095 ( -14.912 -4.421 4.559) 16.208 7.201 ( -1.335 1.963 2.231) 3.258 7.550 ( 10.633 -0.864 0.550) 10.682 8.135 ( 12.991 13.938 -11.296) 22.150 8.696 ( -17.735 3.063 0.658) 18.010 9.317 ( 2.590 26.368 0.809) 26.507 9.865 ( 6.379 2.487 0.519) 6.866 10.261 ( 3.216 22.243 3.991) 22.826 10.678 ( -14.328 -4.543 -2.697) 15.271 11.300 ( 13.998 -7.976 -3.560) 16.500 11.878 ( -0.542 -15.629 0.694) 15.654 12.201 ( -17.712 -33.273 0.904) 37.704 12.721 ( 4.062 -11.610 4.686) 13.163 13.103 ( 0.414 -2.080 6.799) 7.122 13.537 ( -44.649 22.793 15.798) 52.560 13.653 ( 7.533 -23.423 -5.150) 25.138 14.459 ( -5.188 8.284 9.015) 13.297 14.563 ( -10.264 22.996 -5.537) 25.784 14.951 ( -8.542 13.242 5.391) 16.655 15.182 ( -8.869 -4.331 6.603) 11.875 15.663 ( 1.435 31.720 5.461) 32.219 16.052 ( 12.959 -5.244 -5.718) 15.104 16.339 ( 4.953 1.073 -8.272) 9.701 16.572 ( -3.764 -1.964 -12.356) 13.065 16.918 ( 1.762 1.648 -1.740) 2.975 17.079 ( 0.642 -17.939 -1.907) 18.051 17.376 ( 2.867 -4.359 -5.953) 7.915 17.533 ( 15.956 9.336 4.722) 19.080 17.565 ( -5.492 -13.935 -5.574) 15.982 17.763 ( 0.161 -1.033 3.620) 3.768 17.818 ( 9.396 -10.219 -15.474) 20.789 18.105 ( -1.728 -9.392 -7.663) 12.244 18.380 ( -0.281 11.907 -3.046) 12.294 18.616 ( -3.302 -4.177 -4.658) 7.075 18.830 ( 8.821 -16.601 0.172) 18.799 19.127 ( -11.953 7.621 1.821) 14.292 19.265 ( 2.848 4.259 0.676) 5.168 19.339 ( 9.255 6.411 -6.032) 12.772 19.647 ( -8.477 -0.655 0.814) 8.541 19.900 ( 9.951 -9.060 0.945) 13.491 20.217 ( 0.308 -5.575 19.499) 20.283 20.434 ( 5.043 2.760 -0.849) 5.811 20.840 ( -1.871 -13.069 3.064) 13.553 20.861 ( -10.288 -0.333 8.497) 13.348 21.450 ( 2.732 3.856 6.741) 8.232 21.827 ( -1.361 5.855 5.525) 8.164 21.951 ( 1.879 18.032 0.548) 18.137 22.043 ( 7.207 7.564 -1.609) 10.571 22.133 ( -3.819 1.271 -2.415) 4.694 22.188 ( 10.015 5.408 -2.958) 11.760 22.409 ( 0.546 0.638 3.010) 3.125 22.556 ( -0.722 7.195 2.114) 7.534 22.729 ( -3.305 -2.600 -3.721) 5.615 22.871 ( -2.004 0.371 -2.322) 3.089 22.957 ( 2.048 -0.197 -2.760) 3.442 23.014 ( 2.396 0.922 0.048) 2.568 23.548 ( -0.399 0.007 4.126) 4.145 23.648 ( 8.057 0.024 0.732) 8.090 23.813 ( -1.538 -8.762 -4.609) 10.019 23.875 ( 2.985 -0.283 -4.472) 5.384 24.013 ( 3.344 -12.104 0.524) 12.568 24.040 ( -1.100 -9.087 -4.749) 10.312 24.575 ( -0.251 6.013 3.217) 6.824 24.698 ( 2.976 -0.401 -1.686) 3.444 24.829 ( -5.343 -1.644 4.856) 7.405 25.534 ( 0.673 8.489 -0.473) 8.529 26.345 ( -5.159 0.082 1.552) 5.389 26.392 ( -0.023 -0.202 -0.413) 0.461 26.743 ( -4.809 -0.272 3.158) 5.759 26.816 ( 2.482 -0.325 0.174) 2.509 28.425 ( -1.058 -1.039 0.487) 1.561 28.494 ( -0.235 0.901 -1.664) 1.907 28.969 ( -4.934 1.518 -2.418) 5.700 29.035 ( -0.564 1.791 0.293) 1.900 29.208 ( 2.588 -7.257 -3.493) 8.459 29.296 ( 1.744 -1.401 -2.131) 3.090 29.587 ( 0.551 0.048 1.369) 1.476 29.867 ( 2.575 4.499 4.518) 6.877 29.993 ( 0.537 -3.933 3.135) 5.058 30.133 ( -0.328 -1.338 0.172) 1.388 30.310 ( 3.718 -1.605 -1.334) 4.264 30.489 ( 2.840 3.809 -2.496) 5.367 31.126 ( 3.505 -2.089 -1.242) 4.265 31.442 ( -3.315 7.114 0.623) 7.873 31.773 ( -1.156 -3.936 -0.519) 4.135 32.184 ( -3.869 9.426 0.726) 10.215 32.715 ( -3.499 -9.972 1.061) 10.621 33.206 ( -0.686 3.684 -0.339) 3.763 34.452 ( 0.725 -4.895 -0.355) 4.962 34.790 ( -1.051 3.816 -0.135) 3.960 49.725 ( -2.626 -1.188 0.125) 2.884 49.916 ( 9.295 0.554 -2.577) 9.661 ======================= Grid point 8 (8/105) ======================= q-point: (-0.21 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -38.768 2.773 5.401) 39.241 3.206 ( -13.526 -86.526 -29.691) 92.473 4.325 ( -29.362 -7.024 -80.154) 85.651 6.082 ( -40.860 4.326 -63.570) 75.693 6.642 ( -7.870 -9.767 -11.860) 17.262 6.989 ( -9.709 -4.626 -23.457) 25.805 7.320 ( 2.270 20.738 -4.835) 21.415 7.710 ( 6.338 1.611 2.495) 7.000 8.200 ( 2.981 -7.031 17.773) 19.344 8.358 ( -19.194 3.041 43.328) 47.486 9.780 ( 1.376 27.369 2.158) 27.488 10.733 ( 6.739 -13.318 -7.492) 16.700 11.235 ( 2.984 2.121 -15.036) 15.475 11.700 ( 6.379 -0.710 30.362) 31.033 11.923 ( -1.013 -13.486 32.037) 34.774 12.200 ( -13.758 -5.151 0.313) 14.694 12.564 ( -5.671 0.913 -5.672) 8.073 12.762 ( -2.651 -6.678 -17.068) 18.519 12.836 ( 26.359 21.053 7.708) 34.604 13.301 ( -4.309 13.844 -4.625) 15.218 13.686 ( -4.746 1.754 2.517) 5.651 13.990 ( -5.814 24.945 23.489) 34.753 14.191 ( -5.189 6.202 24.232) 25.545 14.619 ( -9.354 -2.959 -2.716) 10.180 15.456 ( -5.483 2.313 16.207) 17.265 15.783 ( -16.777 -8.522 19.689) 27.235 16.564 ( 4.938 -13.913 7.833) 16.713 16.747 ( 4.772 -1.715 -8.265) 9.697 16.899 ( 1.494 -12.646 -1.497) 12.822 16.968 ( -0.263 -6.821 -0.757) 6.868 17.205 ( 2.248 8.631 1.290) 9.012 17.538 ( 1.662 10.480 -12.971) 16.759 17.741 ( -2.274 -3.330 -3.440) 5.300 17.908 ( 0.627 -0.904 6.288) 6.383 18.147 ( 0.468 -2.787 -14.572) 14.843 18.368 ( -1.134 -29.966 -6.434) 30.670 18.478 ( 3.383 -4.710 -6.404) 8.639 18.609 ( -2.681 8.627 -6.101) 10.901 19.012 ( 6.352 -5.397 15.317) 17.438 19.281 ( -6.364 -2.252 -13.697) 15.270 19.426 ( -1.660 19.123 -6.380) 20.227 19.769 ( -5.923 4.031 9.585) 11.967 19.951 ( 4.297 0.542 -1.129) 4.476 20.358 ( 4.665 -3.776 1.375) 6.157 20.602 ( 10.950 -6.429 -0.186) 12.699 20.690 ( 6.683 -4.166 -1.644) 8.045 20.909 ( 2.089 2.492 -6.594) 7.352 21.349 ( 11.106 -3.931 4.536) 12.624 21.639 ( -1.938 32.327 -5.267) 32.811 21.844 ( 3.452 0.896 -14.238) 14.678 21.940 ( -1.007 6.672 -3.994) 7.841 22.063 ( -1.785 1.412 -6.361) 6.756 22.095 ( 6.490 2.240 2.516) 7.313 22.335 ( 3.476 -3.634 7.919) 9.381 22.387 ( -1.578 -0.242 2.928) 3.335 22.516 ( -7.112 -4.444 3.548) 9.106 22.892 ( 6.570 -0.261 -12.244) 13.897 22.974 ( 4.288 -0.390 3.220) 5.377 22.998 ( 1.449 -2.368 -2.216) 3.552 23.301 ( 6.441 -3.909 -10.924) 13.270 23.535 ( 0.754 1.574 4.275) 4.618 23.741 ( -10.099 -7.432 -8.370) 15.075 23.837 ( -5.989 1.967 -3.566) 7.243 24.004 ( 12.103 3.741 4.682) 13.505 24.125 ( 2.362 -4.948 4.146) 6.874 24.450 ( 5.716 2.102 13.998) 15.266 24.630 ( -0.326 -2.489 11.806) 12.070 25.079 ( 4.443 0.407 6.675) 8.029 25.125 ( -0.458 -1.092 7.506) 7.599 25.654 ( 5.749 6.645 5.276) 10.249 25.909 ( -6.828 3.511 1.836) 7.894 26.072 ( -8.380 -2.585 3.592) 9.477 26.678 ( 7.287 1.828 -13.560) 15.502 26.833 ( 0.329 -1.386 -1.673) 2.198 28.145 ( -7.469 -1.146 -1.797) 7.767 28.383 ( -3.911 5.241 -0.158) 6.541 28.481 ( -1.283 -0.505 1.318) 1.908 28.810 ( -2.461 -5.699 -1.938) 6.503 29.485 ( 1.831 -6.574 -0.071) 6.825 29.580 ( 3.181 -1.243 1.987) 3.951 29.717 ( 1.033 -0.924 0.546) 1.490 29.773 ( -0.234 1.603 -7.458) 7.631 30.007 ( -1.147 -0.558 -0.180) 1.288 30.168 ( 0.555 -0.669 -0.724) 1.131 30.781 ( 9.861 1.301 2.040) 10.154 30.827 ( 5.996 6.626 2.518) 9.284 31.200 ( -2.953 -1.050 -1.702) 3.566 31.364 ( -7.135 -3.672 -1.218) 8.117 31.438 ( 9.954 -0.225 -4.854) 11.077 31.930 ( -6.442 6.766 4.791) 10.499 32.679 ( -8.605 3.379 0.375) 9.252 32.780 ( -5.578 -2.706 2.245) 6.594 34.425 ( 0.090 -3.702 -0.775) 3.784 34.830 ( 0.157 3.984 1.784) 4.368 49.649 ( 0.471 -3.843 0.520) 3.906 50.165 ( 5.195 -11.764 -4.203) 13.529 ======================= Grid point 9 (9/105) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.273 ( 40.159 -0.827 -4.631) 40.434 4.757 ( 24.506 44.754 23.741) 56.278 6.284 ( -20.741 -4.678 6.383) 22.200 6.707 ( 5.522 -0.561 1.053) 5.649 6.871 ( 12.751 5.966 6.639) 15.564 7.234 ( 4.262 -9.042 -5.168) 11.253 7.420 ( 16.183 -3.464 26.322) 31.092 7.810 ( -8.005 4.176 0.509) 9.043 8.493 ( 21.259 -11.533 -24.020) 34.087 9.530 ( 3.138 -25.169 -3.124) 25.555 10.266 ( -25.082 -16.654 -6.589) 30.820 10.449 ( -13.631 -10.757 -1.739) 17.451 10.978 ( 3.726 7.365 -13.490) 15.815 11.345 ( 17.499 10.286 32.739) 38.521 11.508 ( -15.668 -5.155 25.134) 30.063 11.829 ( 30.803 34.479 -32.900) 56.745 12.380 ( 5.824 21.628 0.804) 22.413 13.036 ( 16.999 -4.862 -4.903) 18.348 13.118 ( 27.501 -1.067 -11.785) 29.938 13.558 ( 2.933 5.540 3.509) 7.183 14.131 ( 13.502 -24.632 7.810) 29.155 14.446 ( 11.619 -3.134 -1.559) 12.134 14.969 ( -0.261 -17.804 -3.099) 18.073 15.142 ( 17.800 -11.576 -2.976) 21.441 15.440 ( 34.115 -4.219 -4.344) 34.649 15.931 ( 0.694 5.622 -2.247) 6.094 16.256 ( -2.056 4.749 2.077) 5.576 16.623 ( -12.252 -5.802 -3.964) 14.124 16.907 ( 5.242 27.070 -0.035) 27.573 17.010 ( -4.478 0.794 2.842) 5.363 17.277 ( -0.551 -0.972 7.135) 7.222 17.530 ( -2.398 5.436 -2.787) 6.563 17.646 ( -12.602 7.987 11.772) 19.005 17.912 ( -7.629 9.933 10.904) 16.607 18.030 ( -3.422 -8.390 -12.018) 15.051 18.248 ( -9.522 4.797 -1.672) 10.793 18.571 ( -3.739 -10.726 -2.986) 11.745 18.588 ( -18.171 -9.752 2.302) 20.751 18.783 ( 12.198 10.006 -8.469) 17.907 18.997 ( -1.038 -1.072 0.522) 1.580 19.303 ( -16.800 -3.521 9.251) 19.500 19.513 ( -13.728 -0.282 3.871) 14.266 19.807 ( -11.455 2.745 -13.385) 17.830 20.156 ( -10.084 11.316 -2.784) 15.411 20.289 ( 5.909 0.964 1.380) 6.144 20.554 ( 21.675 -0.974 3.761) 22.021 20.821 ( -14.777 -1.499 -2.777) 15.110 20.910 ( -2.526 16.112 -5.743) 17.291 21.684 ( -4.328 -11.786 -5.305) 13.630 21.835 ( -3.043 -3.594 2.857) 5.508 21.899 ( -0.044 -5.987 2.556) 6.510 22.008 ( 0.306 -19.847 0.241) 19.851 22.277 ( -3.321 -2.104 1.052) 4.069 22.314 ( -0.289 0.853 0.279) 0.943 22.421 ( 4.790 -3.883 -2.182) 6.540 22.595 ( -14.974 -3.461 4.768) 16.091 22.674 ( -1.058 2.121 -0.974) 2.562 22.806 ( 4.071 0.528 2.548) 4.831 22.864 ( -2.617 2.618 2.735) 4.603 23.115 ( -4.705 -4.623 -1.505) 6.766 23.517 ( 6.707 6.707 2.372) 9.777 23.653 ( 0.450 -0.638 2.423) 2.546 23.785 ( -3.489 5.615 -2.723) 7.149 23.923 ( -5.276 0.756 1.333) 5.494 24.087 ( -0.447 13.869 -0.959) 13.909 24.133 ( -11.972 1.155 -2.572) 12.300 24.503 ( 1.459 2.217 4.096) 4.881 24.792 ( -4.965 -5.970 -2.795) 8.252 24.954 ( -1.489 1.629 -6.979) 7.320 25.523 ( -0.226 -8.327 1.005) 8.390 26.244 ( 8.899 -1.223 -0.218) 8.985 26.314 ( 5.261 1.871 0.111) 5.585 26.768 ( 1.815 -0.313 -0.695) 1.968 26.779 ( 0.572 0.183 0.857) 1.046 28.414 ( 2.597 0.222 -2.087) 3.339 28.434 ( 1.994 -0.443 1.466) 2.514 28.758 ( 8.700 -1.281 2.488) 9.139 28.990 ( 3.542 0.790 1.876) 4.085 29.273 ( -4.969 5.784 -2.436) 8.005 29.357 ( -4.989 1.598 -0.727) 5.289 29.633 ( -1.738 0.717 -0.690) 2.003 29.934 ( -1.924 -5.555 5.143) 7.811 30.060 ( -0.383 3.932 -2.184) 4.514 30.136 ( -0.543 1.774 -0.530) 1.930 30.388 ( -7.360 1.466 1.151) 7.593 30.540 ( -5.851 -4.739 0.694) 7.562 31.165 ( -5.006 1.067 2.539) 5.713 31.375 ( 5.145 -4.754 -1.288) 7.122 31.690 ( 5.448 3.836 1.051) 6.745 32.128 ( 5.552 -8.959 -2.660) 10.870 32.699 ( 2.890 8.342 -3.685) 9.566 33.139 ( 4.657 -3.564 1.299) 6.006 34.444 ( -0.044 4.561 0.942) 4.658 34.790 ( 0.160 -3.838 -1.281) 4.050 49.675 ( 2.035 1.360 0.266) 2.462 50.012 ( -8.716 0.927 5.512) 10.354 ======================= Grid point 10 (10/105) ======================= q-point: ( 0.18 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( -41.010 69.969 -14.421) 82.374 4.609 ( -35.492 -8.158 8.351) 37.363 5.357 ( -51.680 3.202 -15.447) 54.034 6.559 ( 6.374 -4.310 -0.771) 7.733 6.733 ( -10.829 1.963 4.138) 11.758 7.136 ( -9.515 -0.939 0.885) 9.602 7.348 ( 6.418 -0.647 0.179) 6.454 7.648 ( 6.988 2.420 -6.525) 9.863 8.731 ( -90.341 1.275 -45.522) 101.170 9.546 ( 10.340 -14.197 -8.054) 19.322 9.983 ( 0.609 -25.147 20.632) 32.534 10.506 ( 25.978 -8.543 -5.406) 27.876 10.863 ( 6.976 3.112 1.759) 7.838 11.188 ( 6.434 -6.078 22.971) 24.617 11.606 ( 0.200 13.988 11.467) 18.088 12.167 ( 17.012 17.791 -4.681) 25.057 12.539 ( -3.526 30.853 6.031) 31.634 12.751 ( -2.537 8.737 -1.498) 9.221 13.515 ( -8.381 -6.184 -7.537) 12.856 13.961 ( -17.325 -11.361 0.873) 20.736 14.104 ( -22.207 -17.340 11.774) 30.535 14.468 ( 3.447 -12.288 -21.359) 24.881 14.785 ( -5.975 -6.463 9.825) 13.191 15.036 ( -18.773 -22.455 -4.434) 29.603 15.883 ( 0.037 -8.775 12.644) 15.391 16.172 ( 0.457 -6.623 0.133) 6.640 16.629 ( -0.292 7.679 11.530) 13.856 16.719 ( -7.642 13.404 2.155) 15.579 16.932 ( 24.421 -15.485 -2.792) 29.051 17.024 ( 8.391 4.938 -0.646) 9.757 17.188 ( 6.376 3.321 0.155) 7.191 17.442 ( -5.823 15.210 10.520) 19.389 17.633 ( 0.478 9.754 3.284) 10.303 17.719 ( -2.880 14.348 6.944) 16.198 17.765 ( 4.199 9.009 -7.645) 12.539 18.138 ( -8.314 14.635 -13.007) 21.271 18.636 ( -0.557 -8.403 4.016) 9.330 18.905 ( -8.922 -3.836 13.677) 16.774 19.012 ( 4.182 7.427 -1.586) 8.670 19.137 ( 8.644 -9.930 -10.682) 16.953 19.325 ( -1.847 -3.015 7.392) 8.194 19.467 ( -3.555 2.058 7.889) 8.895 19.669 ( 4.348 -5.450 -8.954) 11.348 19.962 ( 6.687 4.277 -7.598) 10.988 20.410 ( 18.975 6.933 11.314) 23.154 20.599 ( 3.429 -6.967 5.968) 9.794 20.627 ( 1.303 -5.962 -17.911) 18.922 21.090 ( 5.671 12.961 -0.628) 14.162 21.409 ( 3.557 -16.971 -11.608) 20.866 21.703 ( 6.511 4.986 -14.747) 16.874 21.729 ( -2.330 -24.123 -4.829) 24.712 21.894 ( -1.658 -3.286 -1.835) 4.112 21.921 ( -2.482 -0.151 -1.952) 3.162 22.301 ( -0.687 0.495 1.650) 1.855 22.395 ( 1.265 0.949 6.148) 6.348 22.511 ( 0.845 3.946 0.495) 4.066 22.761 ( -0.873 3.903 1.460) 4.258 22.903 ( 4.241 1.618 1.670) 4.837 23.011 ( -0.008 -0.631 5.339) 5.377 23.369 ( 9.252 -5.961 9.679) 14.656 23.471 ( 3.192 0.020 -3.413) 4.673 23.603 ( -3.115 3.004 4.153) 5.998 23.854 ( 4.776 4.659 0.213) 6.676 23.924 ( -1.908 1.873 -1.038) 2.868 24.108 ( 7.306 1.636 -0.607) 7.511 24.277 ( 9.892 10.006 2.654) 14.318 24.432 ( -2.774 -0.700 -3.910) 4.845 24.821 ( 8.065 -5.231 -1.380) 9.712 25.094 ( 8.574 0.173 -1.021) 8.636 25.585 ( 3.081 -8.638 3.012) 9.653 26.252 ( -5.911 0.032 3.392) 6.815 26.401 ( -3.071 0.081 3.945) 5.000 26.530 ( -9.048 0.127 -3.573) 9.729 26.782 ( -0.481 0.699 -4.912) 4.985 28.274 ( -4.172 1.847 -3.787) 5.929 28.580 ( -0.025 -0.466 1.637) 1.702 28.798 ( -9.813 -3.898 5.486) 11.899 28.983 ( -7.073 0.921 0.145) 7.134 29.379 ( 5.272 6.099 2.244) 8.368 29.457 ( 4.951 3.613 1.376) 6.282 29.589 ( 1.379 -1.008 -3.128) 3.564 29.681 ( 0.066 -1.833 -3.525) 3.974 29.938 ( 0.265 2.036 -0.432) 2.098 30.149 ( 1.272 2.669 -4.869) 5.696 30.428 ( 7.624 -0.899 2.845) 8.187 30.583 ( 5.180 -2.419 1.456) 5.899 31.050 ( 1.034 1.613 -2.375) 3.052 31.424 ( -3.659 -3.845 0.982) 5.397 31.653 ( -6.809 3.571 -0.701) 7.721 32.227 ( -2.745 -8.147 1.613) 8.747 32.830 ( 1.714 6.150 1.959) 6.679 33.114 ( -5.577 -6.378 0.191) 8.475 34.424 ( -0.460 4.836 -0.131) 4.860 34.843 ( 0.683 -4.217 0.873) 4.361 49.671 ( -2.965 1.075 -0.071) 3.155 49.863 ( 5.096 8.304 -1.402) 9.843 ======================= Grid point 11 (11/105) ======================= q-point: ( 0.18 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 12.373 59.780) 61.047 2.515 ( -0.000 83.022 43.289) 93.630 2.537 ( 0.000 4.086 25.761) 26.083 3.101 ( -0.000 47.010 101.843) 112.169 6.472 ( -0.000 2.315 3.840) 4.484 6.845 ( -0.000 1.150 -0.377) 1.210 7.331 ( 0.000 -13.051 2.339) 13.259 7.805 ( 0.000 -0.035 0.381) 0.382 8.481 ( -0.000 3.032 -3.970) 4.995 9.365 ( -0.000 -11.367 -58.116) 59.217 9.941 ( 0.000 -23.548 -12.022) 26.440 10.655 ( -0.000 20.082 5.043) 20.706 10.807 ( 0.000 0.734 22.209) 22.221 11.661 ( 0.000 -13.158 33.812) 36.282 11.898 ( -0.000 10.515 2.290) 10.762 12.291 ( -0.000 20.419 0.099) 20.419 12.500 ( 0.000 0.781 6.507) 6.554 12.909 ( -0.000 -5.161 -26.416) 26.916 13.000 ( 0.000 -24.517 2.979) 24.698 13.219 ( 0.000 -7.499 2.394) 7.872 13.818 ( -0.000 -0.837 -9.802) 9.837 14.601 ( 0.000 -12.515 -19.177) 22.899 14.736 ( 0.000 -35.902 -22.731) 42.493 14.834 ( -0.000 0.522 -31.669) 31.673 15.629 ( -0.000 21.166 -15.118) 26.011 16.035 ( -0.000 -5.272 -23.076) 23.671 16.765 ( -0.000 11.105 6.880) 13.063 16.815 ( -0.000 15.966 -10.524) 19.122 16.862 ( -0.000 6.016 1.045) 6.106 16.883 ( -0.000 7.265 -5.023) 8.832 17.272 ( 0.000 -9.845 12.068) 15.574 17.278 ( 0.000 -19.161 1.996) 19.264 17.670 ( -0.000 6.981 10.196) 12.357 17.793 ( -0.000 23.770 2.347) 23.885 17.988 ( 0.000 -3.019 6.459) 7.130 18.203 ( -0.000 16.278 10.230) 19.226 18.311 ( 0.000 -8.989 11.717) 14.768 18.427 ( -0.000 8.892 5.885) 10.663 18.864 ( 0.000 -0.047 8.074) 8.074 19.259 ( 0.000 -15.491 5.964) 16.599 19.389 ( -0.000 10.179 -2.176) 10.409 19.706 ( 0.000 -10.789 5.877) 12.286 19.966 ( -0.000 12.444 18.102) 21.967 20.192 ( -0.000 9.856 -6.314) 11.705 20.762 ( -0.000 5.962 -11.583) 13.028 20.922 ( -0.000 -3.728 -11.620) 12.203 21.022 ( -0.000 -2.191 -7.408) 7.726 21.484 ( 0.000 -2.409 4.103) 4.758 21.499 ( 0.000 -28.703 7.035) 29.552 21.566 ( 0.000 -7.451 9.181) 11.824 21.807 ( 0.000 -4.862 11.307) 12.308 21.967 ( 0.000 -5.278 2.131) 5.692 22.316 ( -0.000 3.613 -7.701) 8.507 22.336 ( 0.000 -4.066 1.784) 4.440 22.472 ( -0.000 1.379 0.341) 1.420 22.602 ( -0.000 6.040 -10.023) 11.702 22.754 ( 0.000 0.227 6.147) 6.151 22.928 ( -0.000 6.087 6.062) 8.591 23.016 ( 0.000 1.526 23.178) 23.228 23.104 ( 0.000 -3.583 -4.162) 5.492 23.294 ( 0.000 -3.285 5.098) 6.065 23.620 ( 0.000 -1.363 -2.939) 3.240 23.708 ( -0.000 7.990 1.116) 8.068 24.174 ( -0.000 0.273 -4.511) 4.519 24.384 ( -0.000 10.029 -3.307) 10.560 24.832 ( -0.000 -6.741 -17.025) 18.311 25.030 ( -0.000 1.956 -19.053) 19.153 25.047 ( 0.000 0.766 5.144) 5.201 25.454 ( -0.000 -2.462 -12.310) 12.554 25.842 ( 0.000 -8.804 -3.623) 9.520 25.854 ( 0.000 -2.177 -1.930) 2.909 26.131 ( -0.000 2.407 -11.701) 11.946 26.404 ( 0.000 -2.447 20.228) 20.376 26.706 ( 0.000 1.424 9.635) 9.739 28.056 ( -0.000 2.142 -1.041) 2.382 28.273 ( 0.000 0.304 3.898) 3.910 28.544 ( 0.000 -4.177 -3.417) 5.397 28.761 ( -0.000 3.956 0.110) 3.957 29.378 ( -0.000 8.134 7.098) 10.796 29.652 ( -0.000 -0.236 -1.650) 1.666 29.722 ( -0.000 3.607 0.341) 3.623 29.739 ( -0.000 0.232 -0.682) 0.720 29.993 ( 0.000 -2.801 1.232) 3.060 30.193 ( -0.000 4.122 -2.865) 5.020 30.949 ( 0.000 -9.765 0.085) 9.765 30.979 ( 0.000 -6.145 -3.187) 6.922 31.067 ( -0.000 5.137 3.013) 5.955 31.272 ( -0.000 2.647 1.121) 2.875 31.431 ( 0.000 -2.081 8.830) 9.072 31.967 ( 0.000 -7.368 -4.556) 8.663 32.381 ( 0.000 -2.079 6.395) 6.724 32.862 ( -0.000 3.557 -4.181) 5.490 34.416 ( -0.000 3.179 0.267) 3.190 34.864 ( 0.000 -3.425 -1.361) 3.685 49.659 ( -0.000 0.966 0.855) 1.290 50.413 ( -0.000 33.645 -26.129) 42.599 ======================= Grid point 12 (12/105) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.179 ( 33.012 8.287 0.000) 34.036 5.626 ( -21.515 -6.910 -0.000) 22.597 5.749 ( 24.322 -67.151 -0.000) 71.420 6.557 ( 16.211 14.181 0.000) 21.538 7.207 ( 23.156 4.468 0.000) 23.583 7.219 ( -6.373 -3.134 -0.000) 7.102 7.295 ( 3.227 -0.487 -0.000) 3.264 7.426 ( -0.174 15.690 0.000) 15.691 8.875 ( 0.037 12.786 0.000) 12.786 9.364 ( -22.857 6.436 0.000) 23.746 9.701 ( -4.281 0.790 0.000) 4.353 9.763 ( 3.112 14.830 0.000) 15.153 11.040 ( 33.332 -16.740 -0.000) 37.300 11.672 ( 2.036 7.093 0.000) 7.379 12.164 ( 0.542 -10.099 -0.000) 10.114 12.269 ( 6.973 -24.545 -0.000) 25.517 12.637 ( -19.193 -0.777 0.000) 19.209 12.939 ( -20.134 31.155 0.000) 37.094 13.554 ( 22.619 -15.283 -0.000) 27.298 13.638 ( 11.943 -25.278 -0.000) 27.957 14.248 ( -3.887 -5.839 -0.000) 7.014 14.335 ( -0.822 19.345 0.000) 19.363 14.669 ( 7.903 24.965 0.000) 26.186 14.931 ( -0.524 16.899 0.000) 16.907 15.745 ( -36.875 -12.926 -0.000) 39.075 15.771 ( 16.170 27.313 0.000) 31.740 16.234 ( -1.500 -17.038 -0.000) 17.104 16.622 ( -0.893 20.407 0.000) 20.426 17.052 ( 5.673 -2.205 -0.000) 6.086 17.190 ( -9.405 -4.014 -0.000) 10.226 17.506 ( 1.688 -20.982 -0.000) 21.050 17.632 ( 3.864 -10.161 -0.000) 10.871 17.948 ( 6.130 -1.516 -0.000) 6.315 18.082 ( 9.096 -16.850 -0.000) 19.148 18.265 ( 7.686 -7.058 -0.000) 10.435 18.432 ( 6.964 7.955 0.000) 10.573 18.479 ( -11.288 -1.249 -0.000) 11.357 18.843 ( 2.108 -3.142 -0.000) 3.784 18.946 ( 3.762 21.227 0.000) 21.558 19.037 ( -1.527 6.207 0.000) 6.392 19.346 ( 0.329 2.230 0.000) 2.254 19.520 ( -6.428 -42.467 -0.000) 42.951 19.603 ( -14.880 2.557 0.000) 15.098 20.056 ( 13.011 4.106 0.000) 13.644 20.192 ( -12.296 15.251 0.000) 19.591 20.262 ( -1.912 -9.486 -0.000) 9.677 20.361 ( -7.097 6.179 0.000) 9.409 20.660 ( 1.909 34.280 0.000) 34.333 21.239 ( -3.582 -16.545 -0.000) 16.928 21.476 ( 2.008 12.663 0.000) 12.822 21.621 ( 2.185 -10.999 -0.000) 11.214 21.845 ( -1.141 5.631 0.000) 5.746 22.056 ( 6.331 -3.070 -0.000) 7.036 22.237 ( -3.665 4.347 0.000) 5.686 22.497 ( 1.725 0.181 0.000) 1.734 22.533 ( -1.847 -0.379 -0.000) 1.885 22.877 ( -1.518 -1.108 -0.000) 1.879 22.885 ( 2.619 -4.052 -0.000) 4.825 22.922 ( -6.428 -0.730 -0.000) 6.470 23.083 ( -8.736 5.584 0.000) 10.368 23.595 ( 3.137 1.477 0.000) 3.467 23.709 ( -8.755 -0.131 0.000) 8.756 23.862 ( 5.632 -6.147 -0.000) 8.337 23.990 ( -2.736 -1.314 -0.000) 3.035 24.089 ( 8.060 -2.165 -0.000) 8.346 24.206 ( -0.577 -9.034 -0.000) 9.052 24.506 ( -11.087 3.663 0.000) 11.676 24.561 ( 2.165 10.567 0.000) 10.786 25.007 ( -3.360 -15.104 -0.000) 15.473 25.324 ( -2.688 15.254 0.000) 15.489 26.407 ( 5.150 0.206 -0.000) 5.154 26.473 ( -1.851 -0.416 -0.000) 1.897 26.655 ( 6.205 0.181 -0.000) 6.207 26.724 ( -1.781 -0.878 -0.000) 1.985 28.390 ( 5.254 -3.583 -0.000) 6.359 28.539 ( -3.961 1.976 0.000) 4.427 28.960 ( 5.147 0.937 0.000) 5.232 29.029 ( 1.776 3.092 0.000) 3.565 29.430 ( 0.638 -1.900 -0.000) 2.004 29.497 ( -2.527 0.133 0.000) 2.531 29.532 ( -3.522 -6.505 -0.000) 7.398 29.587 ( -0.137 3.132 0.000) 3.135 29.994 ( 4.963 1.875 0.000) 5.306 30.066 ( -7.189 -4.805 -0.000) 8.647 30.392 ( -1.123 -2.966 -0.000) 3.171 30.474 ( -1.315 4.409 0.000) 4.601 31.136 ( 3.912 -5.755 -0.000) 6.959 31.338 ( -2.187 7.405 0.000) 7.721 31.856 ( 4.339 -6.963 -0.000) 8.205 32.073 ( -1.656 9.703 0.000) 9.843 32.947 ( -2.344 -8.905 -0.000) 9.209 33.057 ( 3.820 8.874 0.000) 9.661 34.563 ( 1.188 -7.631 -0.000) 7.723 34.726 ( -1.157 6.996 0.000) 7.091 49.772 ( 6.475 0.626 0.000) 6.505 49.866 ( -7.493 -5.061 -0.000) 9.043 ======================= Grid point 13 (13/105) ======================= q-point: ( 0.58 -0.24 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -42.307 -3.690 -0.359) 42.469 5.398 ( -39.894 9.244 58.097) 71.080 5.709 ( -10.199 -25.012 -16.514) 31.660 6.417 ( 6.631 22.617 -0.706) 23.580 6.839 ( -8.469 3.152 2.714) 9.435 7.050 ( -22.076 3.436 1.749) 22.410 7.430 ( 15.625 14.890 0.517) 21.590 7.966 ( -10.338 -4.395 -13.781) 17.779 8.188 ( -7.038 -2.019 -14.493) 16.238 9.017 ( -22.145 11.989 -9.378) 26.872 9.102 ( -43.700 6.606 47.206) 64.666 10.774 ( 33.710 9.842 1.400) 35.146 10.860 ( 12.170 -4.509 2.212) 13.165 11.411 ( 17.611 -10.492 -16.169) 26.109 11.841 ( 3.964 12.201 2.324) 13.038 12.153 ( -2.674 -14.008 -32.323) 35.329 12.553 ( -6.921 -24.929 9.334) 27.504 12.673 ( -8.430 -22.878 10.682) 26.619 13.009 ( -20.815 -4.970 3.329) 21.658 13.289 ( -15.732 12.289 2.895) 20.172 13.701 ( -12.092 27.435 -15.624) 33.809 14.057 ( -13.366 12.490 -3.100) 18.555 14.363 ( -19.846 8.954 -14.619) 26.225 14.919 ( -9.662 -0.848 1.584) 9.828 15.175 ( 4.518 -13.709 -0.878) 14.461 15.957 ( -10.324 -20.139 -4.754) 23.125 16.534 ( 5.566 -6.223 -3.844) 9.192 16.704 ( 9.447 7.869 -0.446) 12.303 17.080 ( -8.230 -4.970 7.619) 12.267 17.198 ( 1.205 18.161 -7.841) 19.818 17.309 ( 4.136 -1.057 -11.455) 12.225 17.557 ( -11.210 -6.157 -4.046) 13.415 17.786 ( 8.225 0.647 7.729) 11.305 17.939 ( 0.585 0.428 3.238) 3.318 18.233 ( -0.800 1.116 2.403) 2.768 18.346 ( 6.044 1.547 -8.305) 10.387 18.527 ( 6.493 6.286 -3.333) 9.632 18.710 ( 0.866 15.094 0.020) 15.119 19.015 ( 20.468 -1.501 -0.183) 20.523 19.182 ( 6.773 -6.438 5.725) 10.959 19.473 ( 4.720 -8.745 11.440) 15.153 19.606 ( -9.822 -28.349 9.515) 31.475 19.956 ( -3.878 0.288 14.380) 14.896 20.058 ( 9.340 -9.241 -10.051) 16.542 20.376 ( 4.967 -7.675 -4.462) 10.173 20.679 ( 7.752 -2.198 3.723) 8.877 20.727 ( 3.467 29.841 2.393) 30.137 21.206 ( 0.955 -10.716 5.717) 12.183 21.297 ( 7.385 15.386 2.638) 17.269 21.591 ( 1.078 0.388 9.112) 9.184 21.886 ( 2.395 0.039 2.890) 3.754 21.967 ( 0.034 3.974 2.021) 4.458 22.140 ( -4.201 2.106 2.805) 5.473 22.303 ( 1.578 -3.423 3.980) 5.481 22.369 ( 3.621 1.729 -3.808) 5.532 22.595 ( 4.225 -2.913 1.538) 5.357 22.797 ( -5.081 1.089 -5.285) 7.411 22.981 ( 10.973 4.248 3.597) 12.304 23.103 ( 4.080 2.434 -0.944) 4.844 23.252 ( 15.384 -1.280 -7.461) 17.146 23.556 ( -4.873 3.773 -2.708) 6.732 23.609 ( -0.641 -2.294 0.616) 2.461 23.803 ( -4.787 -2.301 4.380) 6.884 24.003 ( 1.790 -9.767 -4.191) 10.778 24.232 ( 0.386 4.606 -0.830) 4.696 24.398 ( 0.118 5.562 -1.669) 5.808 24.584 ( 6.712 -7.297 -6.725) 11.980 24.926 ( 9.827 1.057 0.170) 9.885 25.051 ( 7.546 -11.259 -5.775) 14.733 25.375 ( -0.657 8.487 -0.512) 8.528 26.020 ( -9.982 -0.640 -0.508) 10.016 26.258 ( -6.103 -0.834 -2.229) 6.551 26.551 ( -1.592 -0.446 10.926) 11.051 26.865 ( 1.390 0.937 -0.211) 1.689 28.309 ( -4.331 0.892 1.115) 4.560 28.401 ( -6.015 -0.366 -3.477) 6.957 28.622 ( -5.182 3.672 -1.913) 6.633 28.943 ( -2.494 0.726 1.562) 3.031 29.460 ( 3.425 -5.796 -1.086) 6.819 29.484 ( 3.660 -3.196 1.156) 4.995 29.673 ( 2.542 -0.633 0.457) 2.659 29.904 ( 1.504 0.084 5.446) 5.650 30.032 ( 0.759 4.112 -2.515) 4.880 30.312 ( 0.461 1.433 -6.101) 6.284 30.484 ( 5.897 3.674 3.099) 7.608 30.600 ( 7.555 -0.307 -1.384) 7.687 31.218 ( 0.604 1.195 2.233) 2.604 31.332 ( 5.221 0.804 -1.257) 5.430 31.719 ( -7.021 -6.149 -1.972) 9.539 31.769 ( -7.459 5.849 2.102) 9.709 32.652 ( -8.508 -7.976 4.301) 12.430 33.007 ( -4.402 4.685 -2.984) 7.087 34.575 ( -0.335 -3.879 -1.624) 4.219 34.673 ( 0.174 3.313 0.951) 3.451 49.678 ( -0.274 -0.746 0.483) 0.930 50.332 ( 12.106 4.486 -7.117) 14.742 ======================= Grid point 14 (14/105) ======================= q-point: (-0.42 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 35.355 3.084 2.110) 35.552 4.516 ( 25.578 -13.418 -78.045) 83.218 4.849 ( 9.583 -78.847 -12.509) 80.406 6.031 ( 31.014 2.115 -43.020) 53.075 6.777 ( 5.466 -4.095 -3.502) 7.675 6.917 ( 6.970 22.219 -4.046) 23.635 7.224 ( 8.727 -22.925 -30.095) 38.826 7.644 ( -0.662 5.161 16.083) 16.904 8.164 ( 17.587 3.541 39.956) 43.799 8.369 ( -5.487 1.612 -0.423) 5.735 9.207 ( 3.338 29.228 1.677) 29.466 11.051 ( -18.761 -18.013 -1.837) 26.074 11.208 ( -7.658 -0.264 3.940) 8.616 11.737 ( -6.516 -1.410 -7.503) 10.037 11.852 ( 1.360 13.466 39.419) 41.678 12.427 ( 9.922 -8.736 -3.747) 13.741 12.496 ( 0.859 12.276 9.551) 15.577 12.653 ( 10.032 -5.237 1.112) 11.371 12.893 ( 13.559 1.821 -1.652) 13.780 12.982 ( -6.144 3.447 -10.327) 12.501 13.380 ( 1.919 32.097 2.480) 32.250 13.686 ( 7.033 -2.739 6.360) 9.870 14.152 ( 2.453 0.521 29.360) 29.467 14.665 ( 12.026 -2.712 2.414) 12.562 15.455 ( -7.085 2.377 7.533) 10.611 15.959 ( 13.729 -5.940 13.314) 20.026 16.761 ( -3.827 1.312 -5.051) 6.472 16.797 ( -3.121 -0.327 3.491) 4.694 16.895 ( -1.192 3.123 2.012) 3.901 17.048 ( 1.723 -0.723 -0.271) 1.888 17.251 ( 1.364 -14.100 -3.677) 14.635 17.368 ( 0.846 0.970 2.027) 2.401 17.867 ( -1.384 -11.091 0.552) 11.191 17.998 ( 0.071 1.875 1.263) 2.262 18.214 ( -10.163 -1.797 -19.102) 21.712 18.263 ( 6.389 3.037 -0.018) 7.074 18.595 ( -3.539 -3.450 -0.641) 4.984 18.796 ( -4.043 -1.943 2.479) 5.125 19.007 ( 5.052 14.092 -8.139) 17.040 19.294 ( 10.278 0.319 -15.191) 18.344 19.453 ( -11.800 -22.225 1.080) 25.186 19.827 ( 5.710 -18.559 13.151) 23.452 19.940 ( -2.116 0.832 -3.441) 4.125 20.419 ( -6.213 -3.142 -1.693) 7.166 20.566 ( -1.284 20.434 -0.208) 20.475 20.596 ( -6.516 25.371 8.250) 27.463 20.845 ( -11.831 -5.462 -4.454) 13.771 21.171 ( 4.246 2.545 -9.730) 10.917 21.374 ( -4.097 2.620 -4.466) 6.603 21.762 ( 2.523 10.301 -10.251) 14.750 21.889 ( -5.261 -3.608 -7.744) 10.034 22.030 ( -6.319 1.724 -3.823) 7.584 22.078 ( 0.142 0.080 2.432) 2.437 22.342 ( 2.652 1.696 2.199) 3.840 22.428 ( -5.006 -3.384 7.576) 9.690 22.618 ( 4.737 -4.782 1.120) 6.823 22.815 ( -5.581 5.688 -7.755) 11.119 23.040 ( -3.428 -4.782 -0.919) 5.956 23.107 ( -8.316 -7.639 -4.747) 12.249 23.374 ( 1.603 -4.300 -6.570) 8.014 23.495 ( -1.886 2.560 2.175) 3.852 23.749 ( 9.582 4.044 -11.350) 15.395 23.870 ( -14.516 6.108 9.716) 18.505 23.918 ( 9.180 -5.243 -7.971) 13.240 24.158 ( -0.274 4.091 9.173) 10.047 24.457 ( -5.806 -3.368 13.166) 14.778 24.686 ( 0.311 -2.596 13.998) 14.240 25.078 ( -5.152 0.268 9.317) 10.650 25.177 ( -1.790 -5.672 0.132) 5.949 25.471 ( -5.244 12.276 3.821) 13.885 25.860 ( 7.356 1.727 2.077) 7.836 26.110 ( 7.865 -1.420 3.169) 8.597 26.634 ( -5.715 2.735 -13.620) 15.021 26.866 ( -1.325 -2.078 -1.880) 3.100 28.177 ( 5.847 -2.250 -0.993) 6.344 28.303 ( 5.226 3.051 1.932) 6.352 28.505 ( 1.580 -2.017 0.670) 2.648 28.883 ( 1.531 -2.116 -2.219) 3.427 29.558 ( -4.075 -0.841 1.536) 4.435 29.617 ( -1.606 1.110 -3.905) 4.366 29.725 ( -0.301 1.299 -1.773) 2.218 29.831 ( -1.384 -11.801 3.380) 12.353 29.982 ( 2.245 3.882 -4.439) 6.310 30.201 ( 0.567 -3.389 3.038) 4.586 30.678 ( -6.482 6.384 0.866) 9.140 30.766 ( -6.432 1.948 2.229) 7.081 31.240 ( -2.081 -2.715 -3.008) 4.556 31.413 ( -1.324 -0.685 -1.775) 2.318 31.481 ( 1.940 -5.333 -2.764) 6.312 31.773 ( 6.314 9.434 4.134) 12.081 32.593 ( 9.420 5.285 -4.966) 11.888 32.849 ( 2.972 -4.174 5.048) 7.193 34.513 ( 0.394 -5.189 -0.887) 5.279 34.738 ( -0.417 5.329 1.821) 5.647 49.688 ( -0.601 -0.509 -0.972) 1.251 50.397 ( -7.924 -11.035 6.273) 14.964 ======================= Grid point 15 (15/105) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( -12.512 -0.000 -11.003) 16.662 5.061 ( -36.289 -0.000 5.125) 36.649 5.755 ( 31.689 0.000 -4.163) 31.962 6.934 ( -5.219 -0.000 -3.589) 6.334 6.959 ( -6.724 -0.000 -1.260) 6.841 7.352 ( -0.271 -0.000 2.777) 2.790 7.497 ( 3.324 0.000 -3.018) 4.490 7.895 ( -9.772 0.000 -13.572) 16.724 8.938 ( -10.435 -0.000 13.855) 17.345 9.731 ( 22.179 0.000 9.724) 24.217 9.841 ( -0.286 0.000 -1.501) 1.528 10.631 ( 4.714 0.000 -0.146) 4.716 10.772 ( 5.946 -0.000 7.815) 9.820 11.149 ( 12.352 0.000 -9.205) 15.405 11.610 ( -5.864 -0.000 5.651) 8.143 11.810 ( -14.484 -0.000 -0.371) 14.488 12.490 ( -26.408 -0.000 -21.263) 33.904 13.109 ( 1.540 0.000 1.085) 1.884 13.296 ( 11.274 0.000 -2.041) 11.457 14.343 ( -47.999 -0.000 22.464) 52.996 14.628 ( -5.586 -0.000 1.379) 5.753 14.696 ( -14.472 -0.000 -5.354) 15.431 15.167 ( -1.607 -0.000 4.645) 4.915 15.462 ( -4.797 -0.000 14.975) 15.724 15.720 ( -0.295 0.000 -11.134) 11.138 16.051 ( 36.685 0.000 -3.251) 36.829 16.219 ( -2.976 -0.000 -2.194) 3.698 16.451 ( 1.807 0.000 -2.016) 2.708 16.657 ( -26.434 -0.000 0.629) 26.441 17.076 ( -0.913 -0.000 0.426) 1.007 17.191 ( 10.514 0.000 -12.831) 16.589 17.247 ( 1.284 0.000 -2.137) 2.493 17.348 ( 2.923 0.000 1.172) 3.149 17.667 ( 6.800 0.000 -1.206) 6.906 17.927 ( 8.827 0.000 4.877) 10.084 18.248 ( -0.579 -0.000 7.301) 7.324 18.448 ( 2.048 0.000 -1.340) 2.447 18.493 ( 8.427 0.000 4.118) 9.379 18.627 ( 12.997 0.000 -1.491) 13.082 19.112 ( 0.480 0.000 -10.443) 10.454 19.276 ( -18.117 -0.000 5.050) 18.808 19.424 ( 2.684 0.000 -1.462) 3.057 19.532 ( 9.735 0.000 1.453) 9.843 19.908 ( 5.819 0.000 2.424) 6.304 20.406 ( -2.532 -0.000 0.276) 2.547 20.517 ( 10.752 0.000 4.189) 11.539 20.680 ( 0.173 -0.000 0.316) 0.360 21.024 ( -19.173 -0.000 -0.755) 19.187 21.555 ( 12.118 0.000 5.214) 13.193 21.862 ( 0.080 0.000 -1.400) 1.402 21.956 ( -0.473 -0.000 -0.264) 0.542 22.070 ( 12.015 0.000 -6.742) 13.778 22.206 ( 1.800 -0.000 2.902) 3.415 22.265 ( -0.807 0.000 -0.988) 1.275 22.599 ( -4.117 -0.000 2.225) 4.680 22.666 ( 3.021 0.000 -3.778) 4.837 22.677 ( -6.949 -0.000 -2.037) 7.241 22.875 ( -5.328 -0.000 1.877) 5.649 22.894 ( -2.437 -0.000 -2.461) 3.464 23.060 ( 8.574 0.000 3.252) 9.170 23.480 ( -4.749 -0.000 -1.241) 4.908 23.657 ( 0.988 -0.000 2.349) 2.548 23.684 ( -1.935 0.000 -5.118) 5.471 23.741 ( 4.912 0.000 -1.062) 5.026 23.856 ( 10.337 0.000 3.417) 10.887 23.965 ( 0.762 0.000 -0.825) 1.123 24.589 ( -4.872 -0.000 -0.315) 4.882 24.793 ( 2.664 0.000 2.030) 3.350 24.875 ( 2.691 0.000 2.291) 3.534 25.607 ( -0.049 0.000 -0.286) 0.290 26.375 ( -2.808 -0.000 -1.492) 3.180 26.390 ( -3.308 -0.000 1.298) 3.554 26.790 ( -0.630 0.000 -1.980) 2.078 26.797 ( -0.694 -0.000 2.052) 2.166 28.446 ( -1.089 -0.000 2.269) 2.517 28.455 ( -0.153 0.000 -2.014) 2.020 28.937 ( -7.463 -0.000 -1.983) 7.722 29.049 ( -2.584 -0.000 -1.875) 3.193 29.101 ( 5.973 0.000 2.601) 6.515 29.262 ( 2.820 0.000 0.454) 2.856 29.606 ( 0.557 0.000 0.222) 0.599 29.971 ( 0.844 0.000 -1.747) 1.941 29.991 ( 1.180 0.000 -0.742) 1.394 30.122 ( -0.762 -0.000 3.631) 3.710 30.263 ( 3.125 0.000 -1.884) 3.649 30.491 ( 2.575 0.000 -0.598) 2.644 31.082 ( 1.827 0.000 -1.056) 2.110 31.525 ( -2.872 -0.000 0.353) 2.893 31.730 ( -1.982 -0.000 -0.295) 2.004 32.323 ( -2.479 -0.000 0.873) 2.628 32.616 ( -0.276 -0.000 1.491) 1.516 33.231 ( -1.429 -0.000 -0.273) 1.455 34.398 ( 0.034 0.000 -0.326) 0.328 34.830 ( -0.089 -0.000 0.493) 0.501 49.717 ( -3.067 -0.000 0.285) 3.081 49.860 ( 5.404 0.000 -2.765) 6.070 ======================= Grid point 16 (16/105) ======================= q-point: (-0.03 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -29.993 0.000 -39.467) 49.570 2.530 ( -60.296 -0.000 -55.494) 81.947 3.277 ( -50.523 -0.000 16.312) 53.091 4.144 (-101.244 -0.000 -88.152) 134.242 6.461 ( -2.275 -0.000 -2.140) 3.124 6.873 ( -3.850 -0.000 0.076) 3.850 7.560 ( 3.369 0.000 -4.847) 5.902 7.582 ( 22.640 0.000 -5.257) 23.242 7.987 ( 14.198 0.000 -11.869) 18.506 9.691 ( -18.794 -0.000 56.475) 59.520 10.091 ( 6.594 0.000 4.510) 7.989 10.455 ( -1.478 0.000 -6.014) 6.193 10.915 ( -4.922 0.000 -15.356) 16.125 11.547 ( 13.905 0.000 -14.959) 20.423 12.041 ( -10.848 0.000 -19.126) 21.988 12.211 ( -13.579 -0.000 2.404) 13.790 12.419 ( 6.761 0.000 -8.437) 10.812 12.968 ( -1.972 -0.000 30.364) 30.428 13.259 ( 12.262 0.000 1.343) 12.336 13.358 ( -7.575 -0.000 0.686) 7.606 13.599 ( 5.907 0.000 -1.828) 6.183 14.570 ( 2.802 -0.000 5.258) 5.958 14.807 ( 1.970 -0.000 29.574) 29.639 15.124 ( 0.428 -0.000 38.245) 38.247 15.912 ( -27.082 -0.000 10.854) 29.176 16.039 ( 2.208 -0.000 13.519) 13.698 16.567 ( 4.906 0.000 -3.389) 5.962 16.624 ( 2.215 0.000 0.148) 2.220 16.694 ( 2.437 -0.000 4.981) 5.545 16.957 ( -7.723 -0.000 9.998) 12.633 17.216 ( 11.340 0.000 -5.482) 12.595 17.396 ( -0.167 0.000 -8.166) 8.168 17.567 ( -5.809 0.000 -18.478) 19.370 17.660 ( -2.271 -0.000 -0.897) 2.442 17.968 ( 6.957 0.000 -3.952) 8.001 18.056 ( 3.121 0.000 -2.870) 4.240 18.420 ( -9.011 -0.000 1.921) 9.213 18.491 ( -10.958 -0.000 -10.677) 15.300 18.953 ( -8.130 -0.000 -6.967) 10.707 19.359 ( 1.050 0.000 -18.121) 18.151 19.411 ( -0.754 -0.000 15.012) 15.031 19.792 ( 2.556 0.000 -20.363) 20.523 19.916 ( 0.323 0.000 -1.143) 1.187 19.990 ( 5.199 0.000 -11.990) 13.068 20.658 ( 3.582 -0.000 17.863) 18.218 20.741 ( 20.710 0.000 -4.854) 21.271 20.965 ( 1.133 -0.000 16.852) 16.890 21.380 ( 10.461 0.000 -1.391) 10.553 21.650 ( -1.997 -0.000 -1.445) 2.465 21.796 ( -1.298 0.000 -16.893) 16.943 21.898 ( -2.145 0.000 -8.498) 8.764 21.972 ( 11.082 0.000 -3.580) 11.645 22.152 ( 1.138 0.000 0.388) 1.202 22.388 ( 8.025 0.000 4.087) 9.006 22.446 ( 3.681 0.000 3.540) 5.107 22.506 ( -4.414 -0.000 1.674) 4.720 22.723 ( 0.248 0.000 -2.935) 2.945 22.950 ( 2.676 0.000 -8.900) 9.293 22.952 ( -4.268 -0.000 -1.464) 4.512 23.224 ( -5.350 -0.000 8.825) 10.320 23.562 ( -6.019 -0.000 -3.183) 6.809 23.596 ( -8.432 -0.000 -8.522) 11.989 23.662 ( -5.958 -0.000 -3.801) 7.067 24.081 ( 2.582 -0.000 4.868) 5.510 24.169 ( 15.206 0.000 4.277) 15.796 24.766 ( 13.179 0.000 9.322) 16.143 24.950 ( 8.133 -0.000 20.833) 22.365 25.031 ( 1.210 0.000 -3.760) 3.950 25.387 ( 6.358 0.000 6.697) 9.234 25.847 ( 5.779 0.000 5.838) 8.214 25.988 ( -8.674 -0.000 3.198) 9.245 26.186 ( -6.116 -0.000 9.129) 10.988 26.375 ( 3.747 0.000 -15.953) 16.387 26.709 ( -1.609 0.000 -8.512) 8.663 28.100 ( -4.896 -0.000 -1.015) 5.000 28.327 ( -6.172 -0.000 -4.592) 7.693 28.671 ( -1.024 -0.000 8.722) 8.782 28.692 ( -4.622 -0.000 -0.963) 4.722 29.315 ( -2.234 0.000 -7.917) 8.227 29.621 ( 3.240 0.000 1.980) 3.797 29.675 ( 2.233 0.000 -2.040) 3.025 29.728 ( 0.941 0.000 0.286) 0.984 29.997 ( 1.612 0.000 -0.161) 1.620 30.143 ( 0.274 0.000 -0.557) 0.621 30.817 ( 10.358 0.000 0.602) 10.375 30.938 ( 10.918 0.000 0.284) 10.922 31.213 ( -8.276 -0.000 1.449) 8.402 31.247 ( 10.186 0.000 -11.356) 15.254 31.302 ( -5.852 -0.000 -1.421) 6.022 32.100 ( -5.215 -0.000 4.335) 6.782 32.810 ( -19.149 -0.000 9.071) 21.189 32.821 ( 0.330 -0.000 4.095) 4.108 34.382 ( 0.272 0.000 -0.112) 0.294 34.900 ( 0.167 -0.000 0.999) 1.013 49.605 ( -0.147 -0.000 1.447) 1.454 49.849 ( 1.319 0.000 -7.543) 7.657 ======================= Grid point 17 (17/105) ======================= q-point: (-0.03 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 48.147 0.000 28.625) 56.013 3.853 ( 62.586 0.000 8.289) 63.133 4.170 ( 48.103 0.000 4.583) 48.321 6.245 ( 93.990 0.000 43.719) 103.660 6.534 ( 5.408 0.000 2.200) 5.838 6.984 ( 6.660 0.000 -0.030) 6.660 7.218 ( 0.130 -0.000 19.649) 19.650 7.472 ( -5.451 -0.000 3.874) 6.687 7.793 ( -7.543 -0.000 9.459) 12.099 9.903 ( -11.457 -0.000 2.168) 11.660 10.106 ( 19.968 0.000 -44.420) 48.702 10.558 ( 8.439 0.000 -0.944) 8.492 11.070 ( 10.156 0.000 8.120) 13.003 11.197 ( -22.643 -0.000 9.640) 24.610 12.118 ( -11.358 -0.000 -7.988) 13.886 12.224 ( -10.278 -0.000 6.355) 12.084 12.437 ( -36.586 -0.000 -8.083) 37.468 12.510 ( 12.103 0.000 1.047) 12.148 13.398 ( 27.703 0.000 -16.152) 32.068 13.498 ( 6.278 0.000 -0.990) 6.355 13.802 ( 15.824 0.000 14.163) 21.237 14.665 ( 14.430 0.000 2.401) 14.629 14.770 ( -1.338 0.000 -21.465) 21.507 15.159 ( 0.810 0.000 -15.694) 15.715 15.969 ( -5.020 0.000 -14.105) 14.972 16.263 ( 11.306 0.000 -7.289) 13.452 16.470 ( -4.086 0.000 -7.542) 8.578 16.586 ( -7.836 -0.000 -1.624) 8.003 16.814 ( 19.661 0.000 -4.142) 20.093 17.066 ( -3.972 -0.000 8.667) 9.534 17.093 ( 5.083 0.000 -9.476) 10.754 17.405 ( 1.937 -0.000 4.595) 4.987 17.621 ( -5.382 -0.000 7.287) 9.060 17.679 ( 2.336 -0.000 9.509) 9.791 17.807 ( -8.422 -0.000 1.199) 8.507 17.951 ( -8.087 -0.000 5.017) 9.517 18.652 ( 13.581 0.000 -1.777) 13.697 18.711 ( 7.341 0.000 -4.028) 8.374 19.115 ( 6.277 0.000 1.594) 6.476 19.272 ( -9.784 -0.000 16.828) 19.465 19.429 ( 0.891 0.000 -16.102) 16.126 19.556 ( -20.134 -0.000 2.833) 20.332 19.815 ( -3.859 -0.000 9.349) 10.114 19.908 ( -0.143 -0.000 8.643) 8.644 20.571 ( -5.956 0.000 -13.548) 14.799 20.605 ( 5.589 -0.000 28.329) 28.875 20.854 ( -10.472 0.000 -14.791) 18.123 21.122 ( -14.711 -0.000 -5.547) 15.722 21.665 ( -0.868 0.000 -1.388) 1.637 21.731 ( -5.219 -0.000 18.656) 19.372 21.888 ( 0.921 -0.000 7.513) 7.569 21.917 ( -0.497 -0.000 4.888) 4.913 22.175 ( 2.209 0.000 1.142) 2.487 22.212 ( -6.586 -0.000 0.976) 6.658 22.426 ( 0.264 0.000 -1.071) 1.103 22.461 ( -7.572 -0.000 -0.031) 7.572 22.714 ( -0.556 0.000 -1.451) 1.554 22.967 ( -2.701 -0.000 -1.514) 3.096 22.979 ( 4.352 0.000 -6.008) 7.419 23.346 ( 6.853 0.000 -10.017) 12.137 23.622 ( -1.446 0.000 -2.352) 2.760 23.696 ( 6.116 0.000 4.884) 7.827 23.733 ( -11.981 -0.000 7.509) 14.140 24.003 ( 7.406 0.000 0.109) 7.407 24.012 ( -4.214 -0.000 -4.025) 5.827 24.438 ( -18.476 -0.000 -5.971) 19.417 24.678 ( -17.075 -0.000 -7.319) 18.577 24.984 ( -3.876 -0.000 2.842) 4.806 25.258 ( -7.247 -0.000 -2.114) 7.549 25.741 ( -4.706 -0.000 -5.038) 6.894 26.144 ( 6.206 0.000 -4.276) 7.537 26.308 ( 5.871 0.000 -6.300) 8.612 26.373 ( 4.974 -0.000 8.150) 9.547 26.747 ( 2.031 -0.000 6.718) 7.018 28.183 ( 3.675 -0.000 4.209) 5.588 28.495 ( 8.614 0.000 1.336) 8.717 28.715 ( 4.327 0.000 -9.080) 10.058 28.806 ( 6.631 0.000 -0.174) 6.634 29.349 ( 0.240 -0.000 4.197) 4.204 29.536 ( -5.076 -0.000 -2.027) 5.466 29.628 ( -1.997 -0.000 3.587) 4.105 29.705 ( -1.114 -0.000 1.243) 1.669 29.956 ( -2.359 -0.000 -0.064) 2.359 30.136 ( -0.383 -0.000 2.632) 2.660 30.616 ( -9.945 -0.000 -1.608) 10.074 30.745 ( -8.522 -0.000 -0.479) 8.536 31.106 ( -5.273 -0.000 5.290) 7.469 31.347 ( 6.268 0.000 -1.589) 6.466 31.461 ( 8.884 0.000 1.514) 9.012 32.217 ( 5.945 0.000 -2.722) 6.538 32.806 ( -1.358 0.000 -3.433) 3.692 33.057 ( 8.187 0.000 -3.715) 8.990 34.377 ( -0.175 -0.000 0.133) 0.220 34.894 ( -0.380 0.000 -1.005) 1.074 49.615 ( 1.035 0.000 -0.787) 1.300 49.816 ( -1.895 -0.000 5.622) 5.933 ======================= Grid point 18 (18/105) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( -37.657 -12.247 -0.000) 39.598 5.255 ( -23.741 86.902 0.000) 90.087 5.317 ( -59.907 7.651 0.000) 60.393 6.414 ( 7.382 -5.968 -0.000) 9.493 6.787 ( -6.487 -10.301 -0.000) 12.173 7.140 ( -6.927 0.566 0.000) 6.950 7.400 ( 2.905 2.285 0.000) 3.696 7.562 ( 7.836 0.604 0.000) 7.860 8.379 ( -86.570 16.967 0.000) 88.217 9.116 ( 16.121 -21.248 -0.000) 26.671 9.746 ( 4.082 -17.142 -0.000) 17.621 10.310 ( 26.538 -4.083 -0.000) 26.850 10.913 ( 18.116 3.633 0.000) 18.477 11.458 ( -16.812 -9.695 -0.000) 19.407 11.919 ( -8.856 5.918 0.000) 10.651 12.414 ( 6.780 14.209 0.000) 15.744 12.864 ( 3.261 -2.950 -0.000) 4.397 13.181 ( -13.926 19.154 0.000) 23.681 13.266 ( -7.548 4.382 0.000) 8.728 13.456 ( 10.824 -33.819 -0.000) 35.509 14.066 ( -23.015 2.752 0.000) 23.179 14.144 ( -15.185 -6.874 -0.000) 16.669 14.565 ( 0.247 0.189 0.000) 0.311 14.921 ( 1.889 -3.945 -0.000) 4.374 15.523 ( -7.215 -30.273 -0.000) 31.121 16.308 ( 5.224 14.826 0.000) 15.719 16.535 ( 31.796 -11.476 -0.000) 33.803 16.653 ( 0.956 -8.197 -0.000) 8.253 16.948 ( -4.860 5.545 0.000) 7.374 17.331 ( 1.050 8.793 0.000) 8.855 17.455 ( -4.067 16.030 0.000) 16.538 17.754 ( 9.794 4.899 0.000) 10.951 17.849 ( 7.516 8.122 0.000) 11.066 17.912 ( -8.379 11.197 0.000) 13.984 18.102 ( -3.816 27.712 0.000) 27.974 18.194 ( -13.113 -2.546 -0.000) 13.358 18.665 ( -12.388 0.279 0.000) 12.391 18.688 ( 6.025 -20.029 -0.000) 20.915 18.910 ( 0.325 -15.672 -0.000) 15.675 18.975 ( -9.419 -3.975 -0.000) 10.224 19.466 ( 10.637 9.187 0.000) 14.055 19.543 ( -20.727 -5.163 -0.000) 21.360 19.791 ( 18.995 22.120 0.000) 29.157 19.928 ( 4.259 -4.072 -0.000) 5.892 20.292 ( 0.789 15.270 0.000) 15.290 20.477 ( 5.401 -9.284 -0.000) 10.740 20.505 ( 13.274 -38.073 -0.000) 40.321 20.685 ( 7.250 -15.232 -0.000) 16.869 21.334 ( 5.826 12.290 0.000) 13.601 21.436 ( -2.630 -9.590 -0.000) 9.945 21.640 ( 3.267 7.029 0.000) 7.751 21.837 ( -1.434 -1.424 -0.000) 2.021 21.917 ( -7.776 1.928 0.000) 8.011 22.313 ( 4.255 -0.478 -0.000) 4.282 22.472 ( -1.317 -0.184 -0.000) 1.330 22.581 ( 3.736 1.154 0.000) 3.910 22.854 ( -0.442 3.944 0.000) 3.968 22.960 ( 5.269 3.156 0.000) 6.142 23.054 ( 3.249 -1.703 -0.000) 3.668 23.298 ( 11.501 -5.619 -0.000) 12.800 23.596 ( 2.442 -1.509 -0.000) 2.870 23.686 ( -7.774 5.997 0.000) 9.818 23.886 ( -0.211 -0.318 -0.000) 0.382 23.995 ( -4.805 10.284 0.000) 11.351 24.084 ( 13.705 0.133 -0.000) 13.705 24.297 ( 12.872 1.726 0.000) 12.987 24.500 ( -2.659 -2.880 -0.000) 3.920 24.708 ( 9.170 -6.351 -0.000) 11.154 25.115 ( 6.560 7.996 0.000) 10.343 25.401 ( 5.052 -14.597 -0.000) 15.446 26.286 ( -6.812 -1.298 -0.000) 6.935 26.450 ( -5.792 -0.034 0.000) 5.792 26.519 ( -5.407 0.557 0.000) 5.435 26.718 ( -2.143 0.856 0.000) 2.308 28.292 ( -4.685 3.980 0.000) 6.147 28.598 ( 1.586 -0.005 -0.000) 1.586 28.829 ( -7.669 -1.832 -0.000) 7.885 28.912 ( -8.604 -2.260 -0.000) 8.896 29.465 ( 4.086 0.572 0.000) 4.126 29.494 ( -0.433 -2.817 -0.000) 2.850 29.629 ( 2.978 -1.117 -0.000) 3.180 29.682 ( 8.443 13.235 0.000) 15.699 29.919 ( -2.723 -3.967 -0.000) 4.812 30.185 ( 4.271 7.112 0.000) 8.296 30.446 ( 4.796 -0.364 -0.000) 4.809 30.531 ( 4.372 -4.301 -0.000) 6.133 31.082 ( -1.221 4.537 0.000) 4.698 31.360 ( 0.306 -3.897 -0.000) 3.909 31.738 ( -7.573 6.196 0.000) 9.784 32.068 ( -2.070 -10.317 -0.000) 10.523 32.945 ( -7.719 -10.557 -0.000) 13.078 32.976 ( 0.722 7.170 0.000) 7.206 34.539 ( -1.249 6.962 0.000) 7.074 34.747 ( 0.997 -6.755 -0.000) 6.829 49.682 ( -2.816 0.665 0.000) 2.894 50.056 ( 12.188 10.428 0.000) 16.040 ======================= Grid point 19 (19/105) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.000 -0.434 0.803) 0.913 4.265 ( 0.000 16.557 81.164) 82.836 4.729 ( -0.000 72.850 22.222) 76.164 5.631 ( 0.000 7.744 71.447) 71.865 6.710 ( -0.000 3.560 8.187) 8.928 6.864 ( 0.000 -14.389 0.776) 14.410 7.195 ( -0.000 16.926 16.209) 23.435 7.607 ( -0.000 -11.507 -41.366) 42.936 8.006 ( -0.000 -1.482 -27.935) 27.974 8.451 ( 0.000 -1.674 -0.491) 1.745 9.178 ( 0.000 -31.613 -1.351) 31.642 11.229 ( -0.000 -1.424 -23.306) 23.350 11.307 ( -0.000 33.580 7.809) 34.476 11.779 ( -0.000 5.313 -26.428) 26.957 11.900 ( 0.000 -21.762 17.464) 27.903 12.208 ( -0.000 8.499 -7.114) 11.083 12.443 ( 0.000 -14.523 -2.386) 14.718 12.621 ( 0.000 -2.938 -0.927) 3.081 12.712 ( -0.000 1.447 2.644) 3.014 13.194 ( 0.000 -1.466 8.132) 8.263 13.282 ( 0.000 -31.122 -3.831) 31.357 13.643 ( 0.000 -9.770 -12.814) 16.114 14.146 ( -0.000 0.662 -33.185) 33.192 14.530 ( -0.000 5.555 -2.520) 6.100 15.562 ( 0.000 -8.225 -8.017) 11.486 15.762 ( -0.000 18.331 -11.364) 21.568 16.782 ( 0.000 -9.229 -1.091) 9.293 16.806 ( -0.000 1.340 -6.669) 6.802 16.981 ( -0.000 4.301 3.368) 5.463 17.000 ( 0.000 -5.198 7.082) 8.785 17.246 ( -0.000 10.969 2.414) 11.232 17.358 ( -0.000 3.559 -1.127) 3.733 17.920 ( -0.000 7.103 -5.129) 8.761 18.012 ( -0.000 15.612 -5.143) 16.437 18.127 ( 0.000 -13.987 6.836) 15.569 18.351 ( 0.000 1.575 23.752) 23.804 18.614 ( -0.000 5.822 -2.075) 6.180 18.847 ( -0.000 7.113 7.113) 10.059 18.964 ( 0.000 -20.757 2.984) 20.971 19.156 ( 0.000 -3.335 14.840) 15.210 19.638 ( -0.000 44.240 -5.077) 44.530 19.677 ( -0.000 2.462 -8.256) 8.615 19.996 ( -0.000 -2.443 -7.473) 7.863 20.414 ( 0.000 -5.264 10.145) 11.430 20.609 ( 0.000 -5.040 -8.399) 9.796 20.657 ( 0.000 -34.698 -5.741) 35.170 21.049 ( 0.000 0.674 5.929) 5.967 21.080 ( 0.000 3.762 10.390) 11.050 21.446 ( 0.000 -4.960 2.842) 5.716 21.674 ( 0.000 -7.987 13.636) 15.802 21.969 ( 0.000 -1.785 7.370) 7.583 22.057 ( -0.000 1.757 3.793) 4.180 22.167 ( 0.000 -6.530 -2.153) 6.876 22.269 ( -0.000 3.335 -4.216) 5.376 22.499 ( -0.000 4.829 -9.115) 10.315 22.565 ( -0.000 5.452 -0.376) 5.465 22.866 ( 0.000 -5.168 6.772) 8.518 23.069 ( -0.000 4.230 -1.350) 4.440 23.260 ( -0.000 13.628 8.148) 15.878 23.378 ( 0.000 -2.616 4.073) 4.841 23.513 ( 0.000 -2.701 1.137) 2.930 23.537 ( 0.000 -2.307 26.123) 26.224 23.811 ( -0.000 3.543 1.236) 3.753 24.070 ( 0.000 -4.867 1.160) 5.003 24.182 ( 0.000 -10.758 -23.033) 25.422 24.489 ( -0.000 8.029 -9.358) 12.331 24.667 ( -0.000 2.565 -23.078) 23.221 25.116 ( -0.000 -0.410 -11.770) 11.777 25.216 ( -0.000 6.776 3.052) 7.432 25.538 ( 0.000 -13.309 -4.275) 13.979 25.781 ( 0.000 -2.054 -0.969) 2.271 26.015 ( -0.000 2.377 -4.541) 5.126 26.706 ( 0.000 -3.962 14.108) 14.654 26.883 ( -0.000 2.796 3.111) 4.182 28.109 ( -0.000 3.520 -0.103) 3.521 28.249 ( 0.000 -3.806 -0.662) 3.863 28.490 ( -0.000 1.857 -0.938) 2.080 28.868 ( -0.000 2.400 2.427) 3.413 29.612 ( -0.000 -0.198 -1.461) 1.474 29.624 ( 0.000 0.076 7.595) 7.595 29.727 ( -0.000 0.245 -0.788) 0.826 29.836 ( -0.000 10.592 -2.903) 10.982 29.961 ( 0.000 -4.070 1.872) 4.479 30.197 ( -0.000 2.702 -2.680) 3.805 30.744 ( 0.000 -6.583 -1.805) 6.826 30.841 ( 0.000 -3.339 -2.283) 4.045 31.284 ( -0.000 8.713 4.956) 10.024 31.338 ( -0.000 1.253 1.041) 1.629 31.546 ( 0.000 0.084 4.003) 4.004 31.693 ( 0.000 -10.175 -5.366) 11.503 32.482 ( 0.000 -3.273 7.870) 8.524 32.819 ( -0.000 3.854 -6.633) 7.671 34.509 ( -0.000 4.882 0.985) 4.981 34.743 ( 0.000 -5.076 -1.974) 5.446 49.695 ( 0.000 0.330 1.054) 1.105 50.482 ( -0.000 11.693 -8.760) 14.610 ======================= Grid point 20 (20/105) ======================= q-point: (-0.63 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( 40.568 3.610 0.505) 40.732 5.861 ( 7.157 19.757 3.680) 21.333 6.156 ( -7.493 -15.084 -2.708) 17.058 6.329 ( 37.459 9.018 -19.783) 43.311 6.935 ( -2.505 -5.883 -3.241) 7.169 7.112 ( -4.100 -3.819 6.069) 8.260 7.465 ( 15.025 -33.016 -1.628) 36.311 7.833 ( -12.078 2.391 -3.582) 12.823 8.528 ( 15.461 10.019 21.900) 28.619 9.154 ( -5.700 -6.525 7.844) 11.687 9.934 ( 10.719 -5.923 -15.672) 19.889 10.253 ( -17.574 -0.718 1.203) 17.630 10.726 ( -6.996 4.695 -16.991) 18.965 11.263 ( 26.188 -8.161 -23.971) 36.428 11.743 ( 0.037 -14.086 18.598) 23.330 12.278 ( 6.418 29.265 16.271) 34.093 12.763 ( 13.210 18.449 -3.425) 22.948 12.876 ( 10.866 12.220 -11.621) 20.061 13.364 ( 11.988 13.237 2.760) 18.071 13.621 ( 20.247 -5.025 1.288) 20.901 13.892 ( 9.855 -22.866 12.321) 27.781 14.248 ( 7.779 -22.637 1.644) 23.993 14.789 ( 11.450 -5.108 6.052) 13.922 15.047 ( -6.372 0.811 0.363) 6.433 15.197 ( 17.353 9.935 -11.960) 23.300 16.101 ( 3.240 5.447 4.953) 8.044 16.432 ( -2.117 -2.385 9.895) 10.396 16.564 ( -4.780 7.742 -1.533) 9.227 17.048 ( -8.811 -9.295 6.227) 14.241 17.245 ( -3.612 -9.116 -8.877) 13.227 17.323 ( 8.342 2.915 10.430) 13.670 17.611 ( -6.797 1.550 -4.185) 8.132 17.701 ( 2.067 15.102 6.651) 16.630 17.999 ( 4.070 -9.526 0.178) 10.361 18.139 ( -12.354 4.885 -6.281) 14.695 18.165 ( -12.078 1.469 9.118) 15.204 18.470 ( -7.532 5.600 1.623) 9.525 18.511 ( 1.017 -16.051 6.067) 17.190 18.794 ( -1.293 -6.215 2.937) 6.995 19.044 ( -6.391 -2.612 7.165) 9.950 19.360 ( -5.334 11.161 -8.354) 14.927 19.749 ( -2.037 22.662 -3.952) 23.094 19.863 ( -10.406 18.451 3.874) 21.534 20.043 ( 2.153 -1.007 -17.475) 17.636 20.242 ( 0.782 5.460 -6.960) 8.881 20.587 ( -7.629 -5.301 -3.129) 9.803 20.703 ( 3.797 -16.174 -1.047) 16.646 21.046 ( -12.362 -3.951 1.406) 13.054 21.258 ( 2.824 -0.527 -6.486) 7.093 21.571 ( -1.065 -5.904 -6.425) 8.791 21.855 ( -2.720 -2.638 -0.312) 3.802 21.985 ( 2.280 -4.002 5.624) 7.269 22.169 ( -6.311 1.633 -13.658) 15.134 22.266 ( 2.053 -2.333 3.846) 4.945 22.340 ( -0.580 -2.298 -1.903) 3.039 22.517 ( -3.344 0.172 -0.839) 3.452 22.773 ( -8.001 -1.040 4.247) 9.118 22.896 ( 3.708 0.686 3.801) 5.354 22.998 ( -5.205 3.703 5.736) 8.585 23.042 ( -4.614 -4.716 1.401) 6.745 23.578 ( -2.412 0.461 -2.676) 3.632 23.673 ( 3.791 -2.799 2.836) 5.500 23.864 ( 1.279 -1.444 -1.022) 2.183 23.952 ( -6.227 3.782 4.327) 8.473 24.139 ( -0.139 6.315 0.776) 6.364 24.366 ( -4.915 1.865 5.160) 7.366 24.533 ( -2.068 0.189 -2.086) 2.944 24.730 ( -7.406 -4.866 -7.933) 11.893 24.953 ( -1.987 15.372 5.300) 16.381 25.366 ( -1.595 -10.532 0.675) 10.673 26.209 ( 8.721 0.496 -0.879) 8.779 26.354 ( 3.673 0.190 1.517) 3.978 26.636 ( 5.904 0.010 -6.430) 8.729 26.848 ( -0.693 -0.128 0.855) 1.108 28.387 ( 3.483 -0.102 -1.046) 3.638 28.473 ( 1.517 0.007 2.744) 3.136 28.768 ( 9.073 -2.575 1.556) 9.559 28.994 ( 2.422 -0.424 -0.705) 2.558 29.379 ( -4.327 0.991 3.014) 5.365 29.413 ( -3.923 6.243 0.226) 7.377 29.627 ( -1.776 1.825 -1.907) 3.182 29.835 ( -4.450 -6.590 -1.917) 8.179 30.044 ( 1.536 2.250 -4.065) 4.894 30.245 ( -5.504 3.937 3.062) 7.428 30.409 ( -2.346 -5.135 -0.807) 5.703 30.462 ( -5.970 -1.388 2.600) 6.658 31.233 ( 0.974 -2.985 -0.712) 3.220 31.251 ( -2.174 -0.247 0.910) 2.370 31.831 ( 4.179 7.848 1.886) 9.089 31.909 ( 6.347 -8.504 -1.668) 10.741 32.805 ( 6.678 9.428 -2.456) 11.812 33.078 ( 2.583 -5.941 1.179) 6.585 34.577 ( -0.155 6.292 1.283) 6.423 34.677 ( 0.549 -5.551 -0.627) 5.614 49.695 ( 1.683 0.469 -0.170) 1.755 50.095 ( -11.501 -3.253 3.895) 12.571 ======================= Grid point 21 (21/105) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -42.543 0.835 5.249) 42.874 4.272 ( -22.720 -54.262 -33.519) 67.706 6.348 ( -12.680 2.167 -35.815) 38.056 6.576 ( -15.025 -3.401 -2.327) 15.580 6.801 ( 7.306 8.285 1.938) 11.215 6.991 ( -9.725 6.889 -1.114) 11.970 7.324 ( -0.988 -0.589 8.131) 8.212 7.885 ( -8.059 4.496 12.107) 15.223 8.134 ( -5.918 1.701 4.999) 7.932 9.249 ( -28.496 17.766 -14.651) 36.638 10.110 ( -29.495 8.534 -30.635) 43.374 10.503 ( -5.809 3.459 19.397) 20.541 10.983 ( -17.183 -5.765 19.348) 26.511 11.292 ( 28.009 0.511 11.431) 30.256 11.470 ( 12.445 -8.241 -5.374) 15.864 12.094 ( 29.005 4.686 -5.028) 29.808 12.324 ( -3.563 -16.024 7.243) 17.942 12.666 ( -8.286 -2.827 15.987) 18.227 12.904 ( -6.454 -6.221 -5.898) 10.731 13.454 ( -6.755 5.341 -1.325) 8.712 13.828 ( -16.629 17.464 -3.095) 24.312 14.149 ( -17.819 5.297 0.024) 18.589 14.524 ( -36.869 14.390 -8.549) 40.490 14.927 ( -7.666 6.278 -4.251) 10.782 15.108 ( -0.975 -0.059 15.434) 15.465 15.775 ( -15.276 -9.507 13.553) 22.526 16.352 ( 6.068 -9.151 -0.223) 10.982 16.806 ( 8.303 5.739 -2.628) 10.430 16.852 ( 0.220 -19.483 0.821) 19.502 17.059 ( 0.961 -4.750 -10.990) 12.011 17.263 ( -1.977 3.298 -6.241) 7.330 17.579 ( 2.600 3.015 9.880) 10.652 17.808 ( 4.302 -4.219 -11.115) 12.644 17.937 ( -4.236 0.945 -5.436) 6.956 18.132 ( 7.038 5.015 10.343) 13.479 18.431 ( 6.328 -29.576 -2.795) 30.374 18.611 ( 2.953 5.477 -3.771) 7.276 18.641 ( 2.598 4.281 2.649) 5.665 18.772 ( -0.795 -2.852 -10.724) 11.125 19.190 ( 12.791 10.130 8.580) 18.435 19.592 ( 3.079 8.542 0.507) 9.094 19.800 ( 13.688 -2.287 -0.945) 13.909 19.937 ( -7.136 4.240 8.799) 12.096 20.152 ( -4.532 -2.192 3.905) 6.371 20.252 ( 6.084 -5.171 10.329) 13.055 20.491 ( 18.593 -7.864 -12.338) 23.659 20.978 ( 7.294 -11.384 -0.340) 13.525 21.061 ( 6.636 1.368 4.289) 8.019 21.737 ( 1.651 18.581 0.741) 18.669 21.894 ( 1.737 8.210 1.614) 8.545 21.925 ( 2.508 -0.074 0.983) 2.695 22.017 ( 1.693 9.520 -1.092) 9.730 22.230 ( -3.023 4.691 -2.822) 6.254 22.287 ( -3.609 1.441 -1.319) 4.104 22.375 ( -0.855 -1.703 2.852) 3.430 22.578 ( -2.989 -3.670 2.261) 5.245 22.742 ( -0.979 -0.944 3.036) 3.327 22.974 ( 7.460 -2.827 -5.178) 9.510 23.087 ( 17.309 3.181 -13.163) 21.977 23.197 ( 8.474 0.475 2.913) 8.973 23.425 ( -1.837 -3.598 -0.818) 4.122 23.651 ( 0.980 1.398 1.245) 2.113 23.854 ( 3.383 -2.433 3.229) 5.272 24.011 ( 2.918 -0.212 10.961) 11.345 24.061 ( -2.215 -9.846 -6.630) 12.075 24.274 ( 1.178 -3.969 -4.179) 5.882 24.542 ( 2.597 1.131 -1.088) 3.035 24.857 ( 2.011 1.211 5.110) 5.624 25.007 ( 4.495 -0.824 2.900) 5.412 25.530 ( 0.757 7.075 0.421) 7.128 26.050 ( -10.056 2.538 0.968) 10.416 26.193 ( -6.982 -3.438 -0.076) 7.783 26.746 ( 0.044 0.328 5.928) 5.937 26.797 ( 3.018 0.214 -6.206) 6.904 28.332 ( -6.254 -0.029 -0.293) 6.261 28.381 ( -2.982 1.355 1.546) 3.622 28.612 ( -5.534 2.025 -3.988) 7.115 28.919 ( -3.420 -2.471 -2.691) 5.004 29.360 ( 3.902 -6.244 3.938) 8.350 29.457 ( 4.970 -1.572 0.895) 5.289 29.673 ( 2.161 -0.573 0.539) 2.299 29.967 ( 1.134 4.482 -8.350) 9.544 30.024 ( -3.306 -3.216 5.312) 7.035 30.181 ( 3.095 -0.980 -4.431) 5.494 30.553 ( 9.023 -1.092 1.154) 9.162 30.670 ( 6.926 6.648 -0.239) 9.603 31.262 ( -1.850 1.488 -0.107) 2.376 31.316 ( 6.354 -0.198 -1.188) 6.467 31.557 ( -7.798 -4.256 -1.625) 9.032 31.992 ( -7.936 7.569 3.741) 11.588 32.632 ( -3.711 -5.692 6.134) 9.154 33.014 ( -7.927 3.080 -2.928) 8.994 34.447 ( 0.197 -4.180 -1.463) 4.433 34.788 ( -0.058 3.794 1.880) 4.235 49.649 ( -0.738 -2.243 -0.326) 2.383 50.188 ( 8.750 -1.618 -8.657) 12.415 ======================= Grid point 22 (22/105) ======================= q-point: (-0.24 0.07 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 56.406 -7.965 -47.979) 74.478 2.721 ( 14.725 -107.009 -17.421) 109.413 3.100 ( 46.563 10.942 -4.406) 48.033 4.253 ( 97.847 -14.010 -84.674) 130.154 6.491 ( 2.137 -2.343 -4.329) 5.366 6.881 ( 3.628 -0.909 0.304) 3.752 7.261 ( -7.251 11.887 -2.621) 14.169 7.719 ( -8.382 -2.148 1.016) 8.712 8.203 ( -19.642 -10.823 -7.628) 23.688 9.539 ( 15.464 14.239 51.931) 56.024 9.917 ( -2.863 19.748 10.780) 22.680 10.601 ( -2.679 -14.255 -4.204) 15.101 10.851 ( 3.240 0.540 -16.867) 17.184 11.550 ( -9.343 4.542 -20.908) 23.346 12.053 ( 13.171 -8.446 -8.375) 17.747 12.432 ( 6.955 -11.519 -1.189) 13.509 12.484 ( 1.430 -12.357 -7.361) 14.454 12.947 ( -3.290 20.196 14.167) 24.888 12.991 ( -4.039 5.692 16.442) 17.862 13.216 ( 4.975 15.735 -2.554) 16.700 13.673 ( -3.242 -5.118 -0.625) 6.090 14.545 ( -13.349 31.726 24.988) 42.534 14.662 ( 4.025 6.912 15.256) 17.226 14.850 ( 2.264 1.011 24.986) 25.109 15.745 ( 5.137 6.066 11.317) 13.830 16.183 ( 11.714 -5.487 17.246) 21.558 16.648 ( -6.625 -0.873 -1.155) 6.781 16.755 ( -0.506 -19.444 1.999) 19.553 16.799 ( -3.287 -11.336 0.151) 11.804 17.049 ( 5.046 -5.019 5.344) 8.900 17.235 ( -0.780 7.597 2.225) 7.955 17.352 ( 5.432 7.683 -2.720) 9.794 17.575 ( -2.841 -10.815 -7.684) 13.568 17.835 ( -5.018 -1.330 -13.742) 14.690 17.980 ( 3.012 -12.997 -2.897) 13.653 18.234 ( -0.523 -18.397 -7.298) 19.799 18.349 ( 5.241 10.315 -2.917) 11.933 18.499 ( 7.846 -3.091 -6.764) 10.810 18.958 ( 8.857 -0.536 -9.755) 13.187 19.281 ( 1.635 14.763 -5.503) 15.840 19.369 ( -1.200 -5.654 4.196) 7.142 19.709 ( -2.332 7.212 -8.828) 11.635 19.859 ( -9.279 -6.388 -5.615) 12.588 20.222 ( -0.076 -12.322 -5.491) 13.490 20.682 ( -14.540 -0.784 4.318) 15.187 20.775 ( -8.866 -3.755 0.414) 9.638 20.924 ( -1.518 3.964 15.312) 15.889 21.403 ( -6.655 0.717 -0.705) 6.730 21.513 ( 0.115 30.758 -5.907) 31.320 21.630 ( 1.619 0.915 -5.675) 5.972 21.802 ( 0.730 9.145 -8.104) 12.241 21.941 ( -3.640 2.062 -4.149) 5.892 22.076 ( -9.758 3.110 -7.329) 12.594 22.435 ( -0.393 0.647 1.867) 2.015 22.469 ( -9.479 -3.766 1.847) 10.366 22.566 ( 6.038 -4.783 4.220) 8.783 22.727 ( 0.857 -1.728 1.398) 2.383 22.906 ( -2.019 -0.692 -5.223) 5.643 23.020 ( -0.089 -2.948 -1.887) 3.502 23.207 ( 7.811 0.952 0.417) 7.880 23.486 ( 13.679 1.130 -11.222) 17.729 23.632 ( 1.558 1.334 2.191) 3.001 23.755 ( 4.411 -5.895 -3.411) 8.115 24.104 ( -11.042 5.483 4.041) 12.974 24.240 ( -6.926 -14.134 6.207) 16.919 24.735 ( -11.120 3.233 11.569) 16.369 24.945 ( -7.749 0.307 15.347) 17.195 25.040 ( -3.334 -1.144 -1.860) 3.985 25.362 ( -6.185 2.485 6.206) 9.108 25.774 ( -5.533 7.957 5.175) 10.986 25.965 ( 8.847 2.038 3.837) 9.857 26.200 ( 5.772 -1.403 8.688) 10.525 26.359 ( -3.019 1.616 -15.663) 16.033 26.720 ( 1.396 -1.139 -8.657) 8.843 28.112 ( 4.409 -1.324 -1.240) 4.767 28.339 ( 6.885 -1.338 -2.274) 7.373 28.568 ( 2.314 4.596 4.781) 7.024 28.784 ( 2.393 -3.453 -0.781) 4.273 29.404 ( 2.362 -8.057 -5.950) 10.290 29.621 ( -3.021 0.089 1.744) 3.489 29.695 ( -2.583 -3.208 -0.957) 4.229 29.729 ( -1.079 -0.324 0.322) 1.172 29.981 ( -1.187 2.306 -1.206) 2.860 30.181 ( -0.969 -3.693 1.156) 3.989 30.813 ( -10.800 1.617 1.022) 10.968 30.859 ( -7.306 6.611 -0.394) 9.861 31.146 ( 1.434 1.560 -3.962) 4.493 31.327 ( 0.814 -3.873 -2.847) 4.876 31.341 ( 2.075 -3.635 -2.308) 4.780 32.026 ( 5.253 7.412 3.971) 9.914 32.667 ( 18.300 10.592 1.066) 21.172 32.865 ( 0.391 -3.723 3.562) 5.168 34.416 ( 0.006 -3.485 -0.212) 3.491 34.861 ( -0.312 3.714 1.154) 3.901 49.650 ( -0.726 -1.325 -0.637) 1.640 50.216 ( -13.938 -28.646 9.795) 33.329 ======================= Grid point 23 (23/105) ======================= q-point: (-0.24 0.41 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.651 ( 39.240 -50.225 8.199) 64.262 5.266 ( 31.524 5.003 -4.576) 32.245 5.569 ( -21.678 -3.908 4.237) 22.431 6.758 ( 16.379 9.077 -0.896) 18.747 7.078 ( 13.967 -5.852 -2.257) 15.311 7.220 ( -7.026 -2.563 3.124) 8.105 7.351 ( 9.760 1.900 2.152) 10.174 7.683 ( 24.188 7.031 -1.602) 25.240 9.239 ( -13.626 23.016 0.964) 26.764 9.502 ( -36.158 9.698 -3.813) 37.630 10.003 ( 2.263 16.064 8.797) 18.455 10.145 ( -3.086 20.954 6.625) 22.192 10.829 ( 23.724 -13.298 6.370) 27.933 11.302 ( 5.481 -13.886 -18.919) 24.100 11.841 ( -5.237 -23.537 10.891) 26.458 11.913 ( 22.165 -6.451 -12.298) 26.156 12.498 ( -7.588 -25.342 -5.634) 27.047 12.816 ( 4.811 -14.006 6.010) 15.982 13.652 ( 5.355 -5.300 2.334) 7.888 13.961 ( -12.508 39.065 1.934) 41.064 14.192 ( -11.339 -4.623 28.411) 30.938 14.639 ( 5.451 12.987 -2.589) 14.321 15.033 ( 26.350 4.912 -7.883) 27.939 15.378 ( 1.253 35.115 -2.065) 35.198 15.713 ( -34.978 1.651 7.879) 35.892 15.950 ( -9.175 6.095 -7.924) 13.568 16.337 ( 6.640 13.468 -1.073) 15.054 16.808 ( 9.136 -12.331 -11.228) 19.015 16.921 ( 4.961 -8.357 -0.769) 9.749 17.041 ( 4.555 -12.030 -5.449) 13.970 17.105 ( 1.963 11.917 4.065) 12.744 17.448 ( -0.234 -6.290 -2.085) 6.631 17.628 ( -1.483 -17.196 3.509) 17.613 17.830 ( 15.333 -17.228 -12.706) 26.331 17.922 ( 3.771 -8.451 -7.730) 12.057 18.312 ( 7.731 -15.080 7.821) 18.664 18.545 ( -8.231 -2.127 -5.154) 9.942 18.813 ( -16.969 -11.273 -6.490) 21.381 18.977 ( -2.344 11.173 4.615) 12.314 19.048 ( 0.884 5.371 -4.868) 7.302 19.358 ( 4.768 13.541 -4.770) 15.128 19.557 ( -9.682 2.884 11.120) 15.024 19.695 ( 8.457 4.962 -10.007) 14.010 19.715 ( -6.979 -4.961 1.342) 8.667 20.043 ( -15.076 -8.179 -11.878) 20.863 20.550 ( -6.728 5.300 7.115) 11.135 20.620 ( 3.568 5.199 8.460) 10.551 20.954 ( -8.022 -9.275 -0.838) 12.291 21.313 ( -7.447 2.425 13.758) 15.831 21.582 ( 0.395 -1.014 16.532) 16.568 21.862 ( 7.598 25.340 1.286) 26.486 21.915 ( 0.407 1.740 1.418) 2.282 22.027 ( 7.271 0.460 -0.292) 7.291 22.309 ( -0.532 3.167 -1.200) 3.428 22.404 ( 2.170 -0.858 -6.927) 7.309 22.519 ( 1.044 0.145 0.266) 1.087 22.794 ( 1.420 -4.443 -1.385) 4.865 22.874 ( 2.691 0.294 0.191) 2.714 22.933 ( -5.025 -0.752 1.140) 5.207 23.154 ( -10.339 5.043 -2.594) 11.792 23.503 ( 6.008 0.754 -4.910) 7.796 23.640 ( -5.808 -2.352 -4.688) 7.826 23.763 ( 3.804 -5.958 1.415) 7.209 23.949 ( 0.422 -3.350 -0.777) 3.464 24.063 ( 0.060 -5.485 -1.143) 5.604 24.101 ( -4.798 -5.560 0.268) 7.349 24.548 ( 1.421 0.210 1.731) 2.249 24.658 ( -4.485 1.885 2.896) 5.662 24.919 ( -8.951 0.093 2.181) 9.213 25.543 ( -1.340 8.855 -0.744) 8.987 26.362 ( 4.820 -0.448 -2.745) 5.564 26.421 ( -1.356 -0.202 -2.516) 2.866 26.689 ( 6.632 -0.149 2.589) 7.121 26.763 ( -2.698 -0.684 3.719) 4.646 28.359 ( 4.305 -2.008 2.377) 5.312 28.554 ( -2.301 1.214 -1.339) 2.926 28.960 ( 6.105 3.378 -3.599) 7.851 29.097 ( 2.521 1.964 -1.001) 3.349 29.278 ( -3.390 -8.032 -3.724) 9.480 29.372 ( -3.081 -2.502 -1.693) 4.315 29.563 ( -0.857 1.074 1.145) 1.789 29.709 ( 3.056 4.008 4.946) 7.061 29.935 ( -0.779 -4.880 0.720) 4.994 30.105 ( -2.353 -0.907 5.674) 6.209 30.331 ( -1.936 -0.828 -2.851) 3.544 30.520 ( -1.007 2.615 -1.942) 3.409 31.068 ( 2.765 -2.314 0.587) 3.653 31.468 ( 0.398 6.287 -0.244) 6.305 31.755 ( 3.417 -3.812 0.099) 5.121 32.240 ( -1.443 8.717 -0.603) 8.857 32.781 ( -3.301 -8.202 -0.621) 8.863 33.191 ( 2.403 4.928 -0.039) 5.483 34.437 ( 0.826 -5.238 0.061) 5.303 34.825 ( -1.178 4.096 -0.681) 4.316 49.758 ( 3.050 -2.162 -0.784) 3.820 49.793 ( 0.854 -1.706 1.024) 2.165 ======================= Grid point 24 (24/105) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -89.410 9.774 0.000) 89.943 2.459 ( -40.840 84.365 0.000) 93.730 3.005 ( -78.821 36.340 0.000) 86.794 3.467 ( -79.397 -17.086 -0.000) 81.215 6.436 ( -1.963 -0.274 -0.000) 1.982 6.889 ( -3.619 1.234 0.000) 3.823 7.229 ( 8.135 -1.910 -0.000) 8.356 7.763 ( 3.629 0.767 0.000) 3.709 8.014 ( 27.637 19.571 0.000) 33.865 10.061 ( 11.891 -23.983 -0.000) 26.769 10.241 ( -2.859 -12.584 -0.000) 12.905 10.506 ( -4.882 13.879 0.000) 14.713 10.793 ( -15.479 4.079 0.000) 16.008 11.073 ( -0.236 -6.565 -0.000) 6.570 11.968 ( -10.797 13.021 0.000) 16.915 12.365 ( 6.027 4.032 0.000) 7.251 12.462 ( -14.081 21.069 0.000) 25.341 13.020 ( 8.396 -23.763 -0.000) 25.202 13.180 ( -8.455 -11.345 -0.000) 14.149 13.194 ( -3.247 -15.615 -0.000) 15.949 13.678 ( 12.469 9.703 0.000) 15.799 14.756 ( 6.685 6.068 0.000) 9.029 14.928 ( 8.773 -51.138 -0.000) 51.885 15.183 ( 4.849 -2.408 -0.000) 5.414 15.889 ( -4.209 -1.945 -0.000) 4.637 16.378 ( 5.854 5.703 0.000) 8.173 16.602 ( 4.516 4.834 0.000) 6.616 16.700 ( -3.073 10.170 0.000) 10.624 16.968 ( 1.414 -6.018 -0.000) 6.181 17.000 ( 0.681 23.329 0.000) 23.339 17.267 ( -6.683 -12.363 -0.000) 14.054 17.482 ( -6.144 18.378 0.000) 19.378 17.516 ( 3.942 -2.277 -0.000) 4.553 17.697 ( -3.932 23.008 0.000) 23.342 17.850 ( -2.398 -4.077 -0.000) 4.730 18.182 ( -0.316 2.056 0.000) 2.080 18.203 ( -21.070 -1.639 -0.000) 21.134 18.416 ( -4.757 -2.537 -0.000) 5.391 18.859 ( -6.621 -2.565 -0.000) 7.100 19.235 ( -3.744 -18.069 -0.000) 18.453 19.261 ( 1.313 22.004 0.000) 22.043 19.595 ( 5.662 -8.719 -0.000) 10.396 19.894 ( -1.166 16.259 0.000) 16.300 20.173 ( 6.987 13.009 0.000) 14.767 20.671 ( 29.638 -2.598 -0.000) 29.751 20.890 ( 6.733 -7.581 -0.000) 10.139 21.145 ( 7.165 -4.656 -0.000) 8.545 21.347 ( -0.544 -16.552 -0.000) 16.561 21.410 ( -2.661 6.434 0.000) 6.963 21.637 ( 0.120 -12.074 -0.000) 12.075 21.642 ( -7.649 -6.272 -0.000) 9.892 21.891 ( 4.758 -17.398 -0.000) 18.037 21.959 ( 16.119 2.461 0.000) 16.306 22.454 ( 0.704 -1.363 -0.000) 1.534 22.487 ( 9.352 3.744 0.000) 10.073 22.703 ( 3.326 5.757 0.000) 6.648 22.767 ( -3.048 5.055 0.000) 5.903 22.810 ( -13.981 2.057 0.000) 14.131 22.948 ( -7.167 1.416 0.000) 7.306 23.206 ( -4.786 -8.966 -0.000) 10.164 23.375 ( -12.245 2.797 0.000) 12.561 23.659 ( -0.762 -1.278 -0.000) 1.488 23.712 ( -2.183 7.935 0.000) 8.230 24.150 ( 9.233 -6.418 -0.000) 11.245 24.322 ( 8.002 16.707 0.000) 18.525 24.856 ( 13.781 -1.033 -0.000) 13.819 24.965 ( 1.246 -1.558 -0.000) 1.995 25.298 ( 24.082 -2.674 -0.000) 24.230 25.312 ( 1.291 -2.680 -0.000) 2.974 25.831 ( 4.642 -8.421 -0.000) 9.616 26.082 ( -6.117 -2.747 -0.000) 6.706 26.088 ( -7.381 -0.511 -0.000) 7.399 26.372 ( -2.033 2.070 0.000) 2.901 26.556 ( -3.697 0.571 0.000) 3.740 28.099 ( -1.885 1.010 0.000) 2.138 28.313 ( -8.791 4.233 0.000) 9.757 28.628 ( -4.749 -4.386 -0.000) 6.464 28.774 ( -0.832 -1.326 -0.000) 1.566 29.328 ( -3.575 10.635 0.000) 11.220 29.641 ( 3.051 -0.169 -0.000) 3.055 29.687 ( 3.185 4.702 0.000) 5.679 29.732 ( 1.442 0.073 -0.000) 1.443 29.970 ( 0.611 -3.325 -0.000) 3.381 30.199 ( 3.628 4.911 0.000) 6.106 30.820 ( 4.189 -4.740 -0.000) 6.326 30.823 ( 10.736 -1.016 -0.000) 10.784 31.089 ( 0.555 -0.061 -0.000) 0.559 31.308 ( -7.039 4.933 0.000) 8.595 31.312 ( -1.531 3.235 0.000) 3.579 32.072 ( -4.476 -7.788 -0.000) 8.983 32.703 ( -20.689 -19.420 -0.000) 28.376 32.903 ( 0.418 3.616 0.000) 3.640 34.414 ( -0.078 3.372 0.000) 3.373 34.874 ( 0.588 -3.366 -0.000) 3.417 49.638 ( 0.379 0.488 0.000) 0.618 50.411 ( 33.685 34.819 0.000) 48.446 ======================= Grid point 25 (25/105) ======================= q-point: ( 0.16 0.18 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 34.806 32.716 7.702) 48.385 3.644 ( 36.294 36.386 11.173) 52.593 5.081 ( 44.448 4.155 61.520) 76.010 6.537 ( 9.653 -4.744 3.995) 11.474 6.810 ( -2.050 1.262 3.214) 4.015 7.000 ( -3.496 -0.562 0.817) 3.634 7.469 ( -4.682 -6.363 1.141) 7.983 7.943 ( 4.009 6.718 16.328) 18.105 8.255 ( 57.584 1.508 45.065) 73.137 8.903 ( 29.425 -9.692 -47.260) 56.509 9.759 ( -0.436 -20.893 1.243) 20.934 10.576 ( -7.758 -0.247 1.934) 7.999 11.120 ( -11.854 -8.429 10.390) 17.875 11.456 ( -11.788 6.805 0.773) 13.633 11.860 ( -31.070 -4.751 -19.596) 37.040 12.261 ( -5.070 19.281 -24.622) 31.682 12.438 ( 3.996 15.028 -3.838) 16.017 12.692 ( 5.758 6.445 10.909) 13.918 12.948 ( 22.152 -3.867 -13.336) 26.144 13.438 ( 7.836 -6.522 1.416) 10.293 13.863 ( 8.475 -25.133 -5.302) 27.048 14.324 ( 25.161 -1.135 -5.890) 25.866 14.341 ( 15.277 -18.983 -3.396) 24.602 14.892 ( 14.156 -1.824 0.200) 14.275 15.474 ( 0.876 -10.414 -18.533) 21.277 16.058 ( 5.338 5.443 -12.536) 14.672 16.425 ( -7.702 10.415 -6.659) 14.565 16.780 ( 6.085 0.352 0.169) 6.098 16.850 ( -1.051 20.954 2.505) 21.129 16.991 ( 3.658 6.159 -6.192) 9.469 17.176 ( -0.798 -6.617 1.907) 6.932 17.493 ( -3.018 -5.289 9.508) 11.291 17.756 ( -5.878 3.550 9.325) 11.580 17.802 ( -5.505 4.967 -0.110) 7.415 18.178 ( -0.780 -1.150 4.743) 4.942 18.318 ( -3.987 26.376 8.681) 28.053 18.485 ( 4.494 -11.301 4.445) 12.948 18.664 ( 1.194 -1.927 -0.933) 2.451 18.917 ( -1.874 7.767 -20.133) 21.661 19.260 ( -8.972 -6.244 1.073) 10.984 19.467 ( -1.783 -11.380 10.543) 15.615 19.670 ( -15.792 1.560 10.119) 18.821 20.010 ( 3.264 -2.280 14.020) 14.575 20.142 ( -1.349 2.077 -2.074) 3.230 20.440 ( -5.346 13.059 -7.708) 16.079 20.471 ( -15.952 -2.057 -14.079) 21.376 20.919 ( -2.071 -3.434 6.075) 7.279 21.157 ( -6.443 9.265 -4.086) 12.002 21.685 ( 2.815 -26.370 4.035) 26.825 21.756 ( -2.698 -6.937 13.553) 15.462 21.935 ( -3.716 -2.977 2.815) 5.531 21.980 ( -3.153 -4.586 5.759) 8.009 22.139 ( 5.033 -0.406 0.324) 5.060 22.299 ( -0.209 0.881 -1.173) 1.482 22.400 ( -0.094 0.475 -0.663) 0.821 22.644 ( -4.354 2.236 8.678) 9.963 22.706 ( -2.816 -0.708 0.941) 3.052 22.870 ( -4.811 0.188 -1.241) 4.972 22.936 ( -5.538 3.599 -0.941) 6.671 23.251 ( -0.394 4.491 -3.621) 5.782 23.484 ( -3.546 -2.119 -5.707) 7.045 23.706 ( -7.365 -1.980 -3.270) 8.297 23.901 ( -2.602 -0.822 0.267) 2.742 23.924 ( 4.672 9.537 5.368) 11.900 24.201 ( 5.561 3.813 0.068) 6.743 24.267 ( -10.711 0.145 -8.022) 13.383 24.546 ( -7.615 2.309 -3.801) 8.819 24.969 ( -6.422 -4.082 -2.140) 7.904 25.133 ( -0.681 1.309 -8.617) 8.742 25.564 ( -3.226 -7.788 -3.428) 9.100 26.063 ( 8.194 -1.900 -1.430) 8.532 26.228 ( 6.916 2.234 -3.026) 7.872 26.580 ( -0.882 -0.777 11.303) 11.363 26.833 ( 0.345 0.572 0.147) 0.684 28.281 ( 5.386 0.301 3.821) 6.611 28.478 ( 3.370 -3.309 -6.595) 8.112 28.544 ( 7.249 0.301 2.371) 7.633 28.877 ( 4.207 4.054 1.198) 5.964 29.426 ( -4.092 4.283 -2.409) 6.394 29.501 ( -4.706 3.051 -2.699) 6.224 29.680 ( -2.450 1.356 0.295) 2.816 29.786 ( 0.823 -3.234 8.030) 8.696 30.016 ( -0.509 1.645 4.153) 4.496 30.170 ( 1.065 1.646 -1.421) 2.421 30.574 ( -10.660 -0.901 -1.167) 10.761 30.685 ( -7.658 -4.093 -1.439) 8.802 31.206 ( -5.111 -1.195 4.582) 6.968 31.319 ( 1.847 0.255 -1.061) 2.146 31.527 ( 8.221 3.679 1.430) 9.120 32.070 ( 6.981 -7.515 -3.737) 10.917 32.754 ( 1.668 4.185 -5.363) 7.005 32.968 ( 9.728 -4.398 1.304) 10.755 34.425 ( 0.104 4.188 0.633) 4.237 34.825 ( -0.271 -4.056 -1.642) 4.385 49.646 ( 0.389 2.733 0.058) 2.761 50.043 ( -6.755 7.683 4.928) 11.355 ======================= Grid point 26 (26/105) ======================= q-point: ( 0.16 -0.49 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.852 ( -26.612 38.281 -9.556) 47.592 5.168 ( -33.376 0.415 3.802) 33.594 5.679 ( 26.185 4.121 -5.574) 27.087 6.751 ( -9.886 -7.740 -0.763) 12.578 7.064 ( -14.934 7.254 -1.096) 16.639 7.292 ( 2.146 -1.068 -3.046) 3.876 7.426 ( -7.719 -0.207 -5.300) 9.365 7.700 ( -15.633 -3.684 -3.474) 16.432 9.134 ( 21.219 -13.363 13.216) 28.345 9.450 ( 9.089 -24.652 0.393) 26.277 9.991 ( 19.197 -6.621 6.664) 21.372 10.270 ( 6.586 -23.873 -3.412) 24.999 10.968 ( 9.103 6.358 1.575) 11.214 10.987 ( -12.728 0.220 5.898) 14.030 11.793 ( -28.394 11.090 -3.434) 30.676 12.180 ( -22.814 27.727 -21.218) 41.707 12.421 ( 4.637 43.132 1.930) 43.423 13.006 ( -6.724 4.538 -9.630) 12.592 13.580 ( 0.732 15.610 5.779) 16.661 13.987 ( 1.750 -42.869 0.520) 42.908 14.510 ( -23.084 -18.607 2.102) 29.724 14.619 ( 4.886 -8.963 2.225) 10.448 15.062 ( -12.237 -8.288 -9.597) 17.622 15.357 ( 4.891 -19.894 -4.020) 20.877 15.797 ( -8.722 4.584 3.176) 10.353 15.933 ( 47.995 -4.793 -7.529) 48.818 16.201 ( -10.302 -6.562 9.527) 15.490 16.474 ( -7.534 8.054 13.603) 17.512 16.935 ( 3.216 -6.347 0.939) 7.177 17.026 ( -15.367 24.757 -3.103) 29.303 17.221 ( -4.524 -6.673 -5.452) 9.733 17.314 ( -4.427 7.476 8.584) 12.214 17.575 ( 0.950 14.282 4.115) 14.894 17.765 ( -1.438 9.841 7.632) 12.537 17.827 ( 4.968 5.290 -11.133) 13.289 18.348 ( 15.390 0.075 13.104) 20.213 18.409 ( 2.097 -8.453 3.274) 9.304 18.667 ( 0.280 -17.620 12.926) 21.855 18.789 ( 8.095 30.090 -0.580) 31.165 19.097 ( -6.345 -6.677 6.141) 11.071 19.227 ( 3.556 -4.510 -1.981) 6.075 19.419 ( -3.803 -4.071 6.972) 8.925 19.708 ( 3.612 8.684 -0.281) 9.409 19.908 ( 14.610 4.540 -1.348) 15.359 20.135 ( -2.472 1.044 -19.839) 20.020 20.600 ( 13.720 -0.317 1.310) 13.786 20.787 ( -11.627 -2.494 -7.348) 13.978 20.930 ( 2.375 10.381 -0.910) 10.688 21.564 ( 13.134 -5.787 -6.280) 15.666 21.853 ( -2.514 -4.826 -0.468) 5.462 21.905 ( -1.176 -10.846 -5.003) 12.002 21.940 ( 1.690 -8.932 -2.685) 9.478 22.015 ( -6.392 -9.045 0.306) 11.080 22.230 ( 4.257 -0.611 2.958) 5.220 22.352 ( -4.343 -1.192 -3.271) 5.566 22.546 ( -1.726 -4.682 -1.225) 5.138 22.769 ( -0.434 6.089 0.524) 6.127 22.868 ( -5.007 -0.513 0.262) 5.040 22.925 ( 1.275 0.338 2.855) 3.145 23.069 ( 6.539 -4.477 4.026) 8.888 23.519 ( -1.643 0.244 -5.690) 5.927 23.592 ( 1.279 2.600 -0.362) 2.920 23.777 ( -2.592 6.883 -0.456) 7.369 23.865 ( 0.920 0.732 6.255) 6.364 24.016 ( 3.727 4.937 3.238) 6.982 24.086 ( 4.285 16.339 1.654) 16.972 24.583 ( -5.072 -1.783 -0.246) 5.381 24.686 ( 6.173 -8.608 -0.773) 10.621 24.958 ( 6.908 3.908 -0.383) 7.946 25.522 ( -0.367 -9.398 0.912) 9.449 26.341 ( -4.732 0.373 -1.008) 4.852 26.395 ( -0.453 -0.242 0.156) 0.536 26.744 ( -4.805 0.278 -2.609) 5.474 26.815 ( 2.387 0.338 -0.879) 2.566 28.412 ( -1.958 0.996 -2.410) 3.260 28.506 ( 0.735 -0.942 2.987) 3.217 28.910 ( -7.351 -0.959 0.811) 7.457 29.062 ( -2.980 -0.083 1.645) 3.405 29.210 ( 5.100 5.869 2.700) 8.231 29.316 ( 3.154 1.564 3.007) 4.630 29.596 ( 1.278 0.362 -1.480) 1.988 29.819 ( -1.794 -5.344 -5.355) 7.775 29.987 ( 0.014 4.599 -3.196) 5.600 30.206 ( 5.902 0.695 -3.061) 6.684 30.253 ( -1.719 1.505 3.685) 4.335 30.475 ( 1.569 -2.922 1.939) 3.842 31.083 ( -0.647 2.276 -0.807) 2.500 31.462 ( -1.333 -6.706 0.350) 6.846 31.758 ( -2.706 3.649 -0.216) 4.547 32.223 ( 0.005 -9.461 0.987) 9.513 32.763 ( 1.430 9.279 1.038) 9.445 33.192 ( -2.160 -4.131 -0.183) 4.665 34.439 ( -0.553 4.919 -0.177) 4.953 34.808 ( 0.720 -3.974 0.868) 4.131 49.742 ( -3.741 1.550 0.684) 4.107 49.820 ( 2.460 1.138 -1.664) 3.180 ======================= Grid point 27 (27/105) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.000 -0.035 0.309) 0.311 5.046 ( 0.000 -54.139 -16.545) 56.610 5.932 ( -0.000 -12.190 -75.322) 76.302 6.213 ( 0.000 15.183 73.224) 74.782 6.411 ( -0.000 -2.535 -10.221) 10.531 6.683 ( -0.000 14.990 13.479) 20.158 6.809 ( -0.000 14.011 4.427) 14.694 7.890 ( -0.000 -0.264 -0.684) 0.733 8.108 ( -0.000 6.412 -33.500) 34.109 8.406 ( 0.000 -6.013 3.621) 7.019 9.432 ( -0.000 5.595 10.771) 12.137 9.860 ( -0.000 14.188 12.277) 18.762 11.444 ( 0.000 -32.193 -4.163) 32.461 11.993 ( 0.000 -13.289 -18.334) 22.643 12.070 ( -0.000 23.972 -0.025) 23.972 12.176 ( 0.000 -1.605 1.118) 1.956 12.299 ( 0.000 -2.089 10.576) 10.781 12.422 ( -0.000 8.142 14.004) 16.199 12.853 ( -0.000 19.726 -8.014) 21.292 13.281 ( 0.000 -1.637 20.530) 20.595 13.386 ( -0.000 8.119 -8.025) 11.415 13.445 ( -0.000 -0.401 -2.171) 2.207 13.623 ( -0.000 1.132 0.425) 1.210 14.599 ( -0.000 8.594 -7.126) 11.164 15.403 ( 0.000 -8.393 8.472) 11.926 15.605 ( 0.000 -24.740 3.375) 24.969 16.701 ( 0.000 -6.386 1.951) 6.677 16.781 ( -0.000 12.557 -1.054) 12.601 17.059 ( -0.000 -0.658 -2.689) 2.768 17.106 ( 0.000 -0.432 0.480) 0.646 17.251 ( 0.000 -6.799 -1.476) 6.957 17.380 ( -0.000 13.856 -6.651) 15.369 17.807 ( 0.000 -10.563 5.150) 11.752 18.033 ( 0.000 -10.994 -5.454) 12.273 18.241 ( -0.000 22.140 -5.048) 22.708 18.506 ( 0.000 -0.900 5.505) 5.578 18.832 ( -0.000 -5.408 -15.106) 16.045 18.894 ( 0.000 -3.428 -0.008) 3.428 19.045 ( -0.000 12.634 -2.313) 12.844 19.061 ( 0.000 5.445 17.426) 18.257 19.582 ( 0.000 -50.607 1.651) 50.634 19.696 ( 0.000 -3.567 -7.635) 8.428 19.837 ( 0.000 0.543 4.788) 4.819 20.455 ( 0.000 1.146 8.976) 9.049 20.526 ( 0.000 0.050 4.009) 4.010 20.626 ( -0.000 35.681 -6.176) 36.211 21.120 ( -0.000 0.693 -0.551) 0.885 21.261 ( -0.000 8.983 -6.198) 10.914 21.453 ( 0.000 -2.299 2.603) 3.473 21.798 ( 0.000 -0.939 4.647) 4.741 22.038 ( -0.000 1.650 1.094) 1.980 22.039 ( -0.000 1.857 1.704) 2.520 22.194 ( 0.000 -0.352 0.393) 0.528 22.237 ( 0.000 -0.794 -1.805) 1.972 22.416 ( -0.000 -0.355 -2.682) 2.706 22.559 ( 0.000 -2.644 -3.328) 4.251 22.913 ( 0.000 -4.072 6.921) 8.030 23.067 ( -0.000 1.624 -5.496) 5.731 23.351 ( -0.000 1.935 2.238) 2.958 23.471 ( 0.000 -14.865 -12.198) 19.229 23.608 ( 0.000 0.546 1.626) 1.715 23.760 ( -0.000 14.323 14.051) 20.064 23.875 ( -0.000 -1.090 -3.918) 4.067 24.056 ( -0.000 0.250 0.352) 0.432 24.099 ( 0.000 -4.470 4.736) 6.512 24.232 ( -0.000 -0.019 -3.391) 3.391 24.289 ( -0.000 1.431 -1.608) 2.153 25.003 ( 0.000 -1.889 -0.951) 2.115 25.250 ( 0.000 -9.298 -0.896) 9.341 25.458 ( -0.000 11.318 3.436) 11.828 25.762 ( -0.000 0.387 0.799) 0.888 25.981 ( 0.000 -0.516 -0.947) 1.079 26.842 ( 0.000 -2.808 5.095) 5.817 26.923 ( -0.000 2.844 -4.524) 5.343 28.119 ( 0.000 -1.075 -1.456) 1.809 28.236 ( -0.000 2.717 1.147) 2.950 28.493 ( -0.000 0.616 -1.472) 1.596 28.900 ( 0.000 -1.377 -0.763) 1.575 29.594 ( 0.000 -0.125 0.140) 0.187 29.654 ( 0.000 -11.490 5.661) 12.809 29.720 ( -0.000 0.096 -0.161) 0.188 29.891 ( -0.000 6.349 -8.915) 10.945 29.946 ( 0.000 -1.889 3.275) 3.781 30.203 ( -0.000 3.387 -2.863) 4.435 30.704 ( -0.000 2.759 2.251) 3.560 30.802 ( -0.000 1.532 0.728) 1.696 31.344 ( 0.000 -2.470 0.578) 2.536 31.394 ( 0.000 -9.013 -5.389) 10.501 31.575 ( -0.000 9.591 5.798) 11.207 31.597 ( -0.000 1.618 -0.753) 1.785 32.571 ( 0.000 -1.296 3.853) 4.065 32.741 ( -0.000 0.445 -3.700) 3.727 34.534 ( 0.000 -4.145 -1.383) 4.369 34.706 ( -0.000 4.198 1.478) 4.451 49.700 ( 0.000 -1.865 0.589) 1.956 50.443 ( 0.000 -1.850 -4.380) 4.755 ======================= Grid point 28 (28/105) ======================= q-point: (-0.45 0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.431 ( 38.614 9.828 4.595) 40.109 5.294 ( 23.739 -76.810 -4.605) 80.527 5.461 ( 50.057 -9.373 -14.547) 52.964 6.511 ( -9.619 -0.693 -7.649) 12.309 6.676 ( 12.581 10.450 6.712) 17.679 7.125 ( 6.579 -0.566 1.354) 6.741 7.328 ( -4.620 0.858 4.125) 6.253 7.692 ( -10.045 -2.185 -8.471) 13.320 8.770 ( 57.427 -1.402 -26.301) 63.178 9.264 ( 6.781 12.848 -18.019) 23.146 9.573 ( -1.331 15.239 16.036) 22.162 10.389 ( -28.748 4.180 -5.768) 29.617 10.894 ( 0.634 -0.008 9.570) 9.591 11.043 ( -5.424 7.084 19.764) 21.684 11.813 ( 7.854 -10.092 10.709) 16.680 12.530 ( -7.235 -14.837 -9.796) 19.195 12.896 ( 1.726 -2.742 -1.805) 3.709 13.083 ( -0.166 2.395 3.375) 4.142 13.352 ( 17.643 -2.405 -1.118) 17.841 13.519 ( 3.638 12.988 -2.818) 13.779 13.902 ( 24.779 -3.422 13.147) 28.258 14.249 ( 16.827 21.102 -4.394) 27.345 14.723 ( -5.680 -7.716 -15.588) 18.297 14.868 ( 5.148 2.107 4.273) 7.014 15.497 ( 6.916 24.880 3.090) 26.008 16.284 ( -3.073 -8.664 3.046) 9.684 16.565 ( -26.615 12.297 -2.472) 29.422 16.711 ( -1.991 6.340 -4.316) 7.923 16.812 ( 3.728 -5.158 10.472) 12.254 17.204 ( -3.458 -9.672 6.964) 12.410 17.409 ( -2.145 -15.283 1.546) 15.510 17.650 ( -0.450 -7.157 17.521) 18.931 17.803 ( 5.531 -7.949 1.743) 9.839 17.944 ( -2.972 -14.253 -1.095) 14.601 18.112 ( 6.167 -19.097 -1.535) 20.127 18.156 ( 1.957 10.455 -0.877) 10.673 18.472 ( 9.123 5.510 9.197) 14.077 18.706 ( -2.431 11.873 6.551) 13.776 18.904 ( -0.678 9.674 -9.865) 13.833 19.059 ( -1.897 7.021 5.469) 9.099 19.437 ( 4.619 3.902 1.043) 6.136 19.608 ( 0.294 -6.620 -13.276) 14.838 19.820 ( -11.449 -34.458 -1.845) 36.357 20.008 ( -11.566 -1.800 -4.753) 12.633 20.385 ( -2.417 15.044 4.523) 15.894 20.460 ( -11.077 15.503 1.135) 19.088 20.559 ( -3.764 0.715 -5.511) 6.712 20.801 ( -3.128 19.590 -16.097) 25.547 21.394 ( 0.827 -5.062 -0.940) 5.215 21.438 ( -2.658 7.014 -3.704) 8.366 21.795 ( -3.542 -4.524 -13.763) 14.914 21.823 ( 1.355 3.289 0.342) 3.574 21.944 ( 4.660 -2.887 -3.005) 6.251 22.305 ( -2.973 -0.161 0.943) 3.123 22.399 ( -0.076 0.121 6.846) 6.848 22.547 ( -3.681 -0.835 2.440) 4.495 22.820 ( -0.543 -2.449 2.621) 3.629 22.953 ( -3.905 -3.100 1.373) 5.172 23.006 ( 0.111 0.075 2.938) 2.942 23.260 ( -11.412 5.857 8.719) 15.510 23.487 ( -2.225 -1.494 -1.836) 3.248 23.676 ( 6.788 -4.798 3.853) 9.163 23.864 ( -2.021 0.490 0.933) 2.279 24.003 ( -7.946 -3.115 0.966) 8.589 24.195 ( 1.314 -7.925 -3.608) 8.806 24.345 ( -4.801 3.771 -5.442) 8.178 24.478 ( -4.040 -4.373 1.290) 6.092 24.685 ( -8.783 8.604 1.289) 12.363 25.160 ( -6.016 -7.622 -3.132) 10.202 25.362 ( -3.751 14.875 3.792) 15.802 26.247 ( 6.971 0.770 2.800) 7.552 26.405 ( 2.884 -0.350 3.750) 4.744 26.532 ( 9.046 0.016 -3.242) 9.610 26.797 ( 0.423 -0.719 -4.578) 4.653 28.320 ( 4.355 -2.903 -2.456) 5.781 28.564 ( -1.001 1.249 3.182) 3.562 28.764 ( 10.046 -0.297 2.951) 10.475 28.971 ( 5.595 1.453 -2.503) 6.300 29.431 ( -4.338 -0.734 2.371) 4.998 29.516 ( -1.652 2.263 0.203) 2.809 29.617 ( -3.427 -1.731 -0.590) 3.884 29.682 ( -5.378 -6.104 -0.416) 8.146 29.961 ( 1.982 0.046 -3.729) 4.223 30.229 ( -3.326 -5.613 -3.530) 7.418 30.399 ( -4.524 1.652 3.858) 6.171 30.527 ( -5.281 3.201 0.857) 6.234 31.103 ( 0.430 -4.168 -1.899) 4.601 31.345 ( -0.005 4.097 1.346) 4.313 31.745 ( 7.128 -6.258 -0.694) 9.511 32.049 ( 2.535 10.240 1.752) 10.693 32.934 ( 5.058 2.764 1.018) 5.853 32.986 ( 2.353 -0.412 -0.942) 2.568 34.538 ( 1.152 -6.893 -0.001) 6.989 34.738 ( -0.877 6.696 0.783) 6.798 49.687 ( 2.513 -0.587 -0.365) 2.606 50.037 ( -10.989 -9.148 1.512) 14.378 ======================= Grid point 29 (29/105) ======================= q-point: ( 0.55 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( -40.539 -7.272 -1.359) 41.208 5.620 ( -50.902 9.385 14.264) 53.690 6.158 ( -4.279 -12.901 -5.398) 14.625 6.350 ( 4.806 -6.456 -7.922) 11.293 6.802 ( -3.775 26.002 9.424) 27.914 7.233 ( 6.531 13.743 -3.628) 15.643 7.401 ( -13.507 17.438 0.280) 22.059 7.724 ( 10.225 1.067 6.636) 12.236 8.693 ( -6.813 -6.791 0.534) 9.634 9.232 ( -44.252 7.138 30.659) 54.306 9.494 ( 4.161 7.030 -9.703) 12.683 10.339 ( 31.258 -1.567 5.513) 31.780 10.785 ( -14.686 -9.981 -27.080) 32.383 11.046 ( 4.614 5.457 2.283) 7.502 12.012 ( -9.609 10.384 -5.793) 15.288 12.445 ( 6.371 -31.889 -3.981) 32.762 12.602 ( -7.523 -9.803 7.707) 14.564 12.834 ( -4.864 -11.855 -2.809) 13.118 13.327 ( -15.866 -12.882 6.880) 21.564 13.606 ( -21.247 8.655 1.456) 22.988 14.162 ( 1.240 18.110 -10.822) 21.134 14.244 ( -6.773 15.377 0.996) 16.831 14.787 ( 4.258 1.247 9.656) 10.626 14.908 ( -8.947 7.438 4.394) 12.437 15.063 ( -8.887 -19.380 3.089) 21.543 16.238 ( 3.941 -6.192 -5.764) 9.333 16.557 ( 9.597 6.329 -2.797) 11.832 16.694 ( -2.071 3.212 -10.128) 10.825 17.004 ( 2.725 14.139 5.675) 15.477 17.210 ( 4.215 -8.168 -4.750) 10.346 17.596 ( 3.460 3.023 -4.932) 6.741 17.732 ( 2.954 1.554 -15.412) 15.769 17.878 ( -3.653 -9.661 -9.088) 13.758 18.022 ( -12.445 8.798 -4.764) 15.968 18.076 ( 8.431 -4.106 -1.842) 9.557 18.331 ( 12.342 2.998 -2.612) 12.967 18.412 ( -4.306 1.267 -0.891) 4.576 18.645 ( -5.785 8.455 -2.893) 10.645 18.803 ( 2.218 -2.058 3.603) 4.705 19.087 ( -0.639 10.257 0.990) 10.325 19.311 ( -2.649 -17.358 -3.225) 17.853 19.544 ( -2.766 -32.669 10.910) 34.554 19.686 ( -1.076 -5.966 13.080) 14.417 19.905 ( 20.355 -11.307 3.314) 23.519 20.172 ( 3.324 -2.089 -0.326) 3.940 20.504 ( -5.609 6.043 19.147) 20.846 20.562 ( 10.875 -0.369 -0.869) 10.916 20.954 ( 7.227 23.359 9.196) 26.124 21.202 ( -0.061 -10.712 -2.091) 10.914 21.511 ( 0.277 5.385 -0.384) 5.406 21.829 ( 1.491 4.422 1.105) 4.795 21.861 ( 0.462 2.776 8.834) 9.272 22.051 ( -5.176 8.336 1.568) 9.937 22.311 ( 6.363 0.696 0.085) 6.402 22.399 ( -2.755 0.072 -5.237) 5.918 22.561 ( 4.443 0.917 -3.476) 5.716 22.857 ( 2.139 1.524 -4.053) 4.830 22.964 ( -0.164 -1.715 -3.358) 3.774 23.027 ( 4.659 1.294 0.566) 4.869 23.167 ( 9.777 -3.143 -5.391) 11.598 23.513 ( 2.405 1.111 0.522) 2.700 23.766 ( -6.527 4.291 -5.198) 9.383 23.863 ( -2.817 0.394 0.145) 2.848 24.030 ( 12.858 -0.076 -2.889) 13.179 24.202 ( -0.096 -9.212 -4.202) 10.126 24.371 ( -1.603 6.564 6.276) 9.222 24.487 ( 9.936 -4.699 5.068) 12.103 24.556 ( 8.638 -1.626 2.790) 9.221 25.066 ( 4.972 -15.084 -4.356) 16.469 25.350 ( 1.962 11.008 1.923) 11.346 26.222 ( -8.242 -1.870 -1.863) 8.654 26.413 ( -2.682 0.456 -4.057) 4.884 26.529 ( -8.859 -0.258 3.321) 9.464 26.806 ( -0.183 0.312 4.372) 4.387 28.372 ( -4.003 2.319 0.496) 4.652 28.539 ( 1.168 -1.155 -3.344) 3.726 28.802 ( -9.022 3.396 -1.600) 9.772 28.953 ( -4.466 0.079 3.115) 5.445 29.418 ( 1.751 -3.588 -0.832) 4.079 29.448 ( 3.381 -2.794 -2.188) 4.902 29.612 ( 3.175 -0.240 -0.033) 3.185 29.785 ( 1.929 0.379 0.807) 2.125 29.963 ( 3.360 2.257 4.278) 5.889 30.273 ( 8.240 -1.774 0.141) 8.430 30.424 ( 1.597 1.780 -1.975) 3.101 30.499 ( 3.739 3.349 -0.789) 5.082 31.201 ( -3.262 6.046 1.387) 7.008 31.287 ( 3.756 -1.988 -1.594) 4.539 31.865 ( -4.301 -5.353 -1.107) 6.955 31.883 ( -6.602 4.673 0.678) 8.117 32.761 ( -7.997 -10.502 1.576) 13.294 33.096 ( -1.342 6.068 -0.535) 6.238 34.602 ( 0.988 -6.520 -1.063) 6.680 34.667 ( -1.383 5.564 0.347) 5.744 49.693 ( -1.931 0.064 0.083) 1.934 50.173 ( 14.398 5.302 -3.138) 15.661 ======================= Grid point 30 (30/105) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 43.482 0.000 -0.000) 43.482 1.876 ( 94.205 0.000 -0.000) 94.205 2.812 ( 136.565 0.000 -0.000) 136.565 4.109 ( 19.161 0.000 -0.000) 19.161 6.437 ( 2.226 0.000 -0.000) 2.226 6.879 ( 3.900 0.000 -0.000) 3.900 7.245 ( -8.054 -0.000 0.000) 8.054 7.507 ( -2.907 -0.000 0.000) 2.907 7.756 ( -3.907 -0.000 0.000) 3.907 10.186 ( -15.074 -0.000 0.000) 15.074 10.373 ( 7.955 0.000 -0.000) 7.955 10.522 ( 10.897 0.000 -0.000) 10.897 10.721 ( 11.261 0.000 -0.000) 11.261 11.138 ( -1.436 -0.000 0.000) 1.436 11.844 ( 11.691 0.000 -0.000) 11.691 12.238 ( 13.481 0.000 -0.000) 13.481 12.325 ( -7.812 -0.000 0.000) 7.812 13.234 ( -14.355 -0.000 0.000) 14.355 13.289 ( 8.271 0.000 -0.000) 8.271 13.394 ( 5.194 0.000 -0.000) 5.194 13.570 ( -9.930 -0.000 0.000) 9.930 14.662 ( -10.471 -0.000 0.000) 10.471 15.173 ( -6.125 -0.000 0.000) 6.125 15.684 ( -12.709 -0.000 0.000) 12.709 15.919 ( 22.468 0.000 -0.000) 22.468 16.187 ( -1.881 -0.000 0.000) 1.881 16.458 ( 0.637 0.000 -0.000) 0.637 16.669 ( -3.055 -0.000 0.000) 3.055 16.824 ( 0.594 0.000 -0.000) 0.594 17.096 ( -14.624 -0.000 0.000) 14.624 17.218 ( 5.126 0.000 -0.000) 5.126 17.233 ( 2.460 0.000 -0.000) 2.460 17.329 ( 8.279 0.000 -0.000) 8.279 17.687 ( -6.308 -0.000 0.000) 6.308 17.889 ( -1.469 -0.000 0.000) 1.469 18.142 ( -2.982 -0.000 0.000) 2.982 18.259 ( 29.790 0.000 -0.000) 29.790 18.445 ( 9.333 0.000 -0.000) 9.333 18.882 ( 6.890 0.000 -0.000) 6.890 19.038 ( 1.288 0.000 -0.000) 1.288 19.551 ( 2.204 0.000 -0.000) 2.204 19.586 ( 4.835 0.000 -0.000) 4.835 19.883 ( -4.258 -0.000 0.000) 4.258 19.890 ( -6.763 -0.000 0.000) 6.763 20.696 ( -33.011 -0.000 0.000) 33.011 20.963 ( -7.069 -0.000 0.000) 7.069 21.192 ( -10.831 -0.000 0.000) 10.831 21.339 ( 2.050 0.000 -0.000) 2.050 21.464 ( 1.614 0.000 -0.000) 1.614 21.704 ( 9.131 0.000 -0.000) 9.131 21.751 ( -0.309 -0.000 0.000) 0.309 21.935 ( -16.804 -0.000 0.000) 16.804 22.141 ( 0.474 0.000 -0.000) 0.474 22.447 ( -13.855 -0.000 0.000) 13.855 22.460 ( -2.147 -0.000 0.000) 2.147 22.608 ( -4.664 -0.000 0.000) 4.664 22.709 ( 2.538 0.000 -0.000) 2.538 22.801 ( 18.050 0.000 -0.000) 18.050 22.931 ( 6.245 0.000 -0.000) 6.245 23.353 ( 10.490 0.000 -0.000) 10.490 23.433 ( 8.111 0.000 -0.000) 8.111 23.495 ( 0.704 0.000 -0.000) 0.704 23.671 ( 0.606 0.000 -0.000) 0.606 24.143 ( -3.082 -0.000 0.000) 3.082 24.220 ( -12.258 -0.000 0.000) 12.258 24.865 ( -14.492 -0.000 0.000) 14.492 24.979 ( -0.715 -0.000 0.000) 0.715 25.324 ( -24.593 -0.000 0.000) 24.593 25.347 ( -2.216 -0.000 0.000) 2.216 25.912 ( -4.970 -0.000 0.000) 4.970 26.094 ( 7.328 0.000 -0.000) 7.328 26.108 ( 5.549 0.000 -0.000) 5.549 26.351 ( 2.604 0.000 -0.000) 2.604 26.550 ( 3.704 0.000 -0.000) 3.704 28.092 ( 1.424 0.000 -0.000) 1.424 28.273 ( 9.641 0.000 -0.000) 9.641 28.683 ( 5.195 0.000 -0.000) 5.195 28.787 ( 1.055 0.000 -0.000) 1.055 29.201 ( 3.595 0.000 -0.000) 3.595 29.642 ( -3.210 -0.000 0.000) 3.210 29.657 ( -2.825 -0.000 0.000) 2.825 29.732 ( -1.243 -0.000 0.000) 1.243 29.999 ( -0.980 -0.000 0.000) 0.980 30.134 ( -1.834 -0.000 0.000) 1.834 30.821 ( -9.669 -0.000 0.000) 9.669 30.870 ( -5.175 -0.000 0.000) 5.175 31.108 ( -2.814 -0.000 0.000) 2.814 31.238 ( 10.576 0.000 -0.000) 10.576 31.278 ( 3.446 0.000 -0.000) 3.446 32.150 ( 4.268 0.000 -0.000) 4.268 32.865 ( -0.583 -0.000 0.000) 0.583 33.042 ( 2.880 0.000 -0.000) 2.880 34.381 ( -0.221 -0.000 0.000) 0.221 34.910 ( -0.153 -0.000 0.000) 0.153 49.633 ( -0.467 -0.000 0.000) 0.467 49.757 ( -0.233 -0.000 0.000) 0.233 ======================= Grid point 31 (31/105) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( 33.660 0.000 15.208) 36.936 5.184 ( 33.736 0.000 -6.557) 34.368 5.650 ( -28.647 -0.000 5.869) 29.242 6.887 ( 17.050 0.000 -0.241) 17.052 6.928 ( 9.428 0.000 1.410) 9.533 7.311 ( -5.408 -0.000 5.247) 7.535 7.421 ( 7.296 0.000 3.418) 8.057 7.733 ( 20.325 0.000 2.786) 20.515 9.278 ( -25.321 -0.000 -16.394) 30.164 9.725 ( -0.479 -0.000 8.605) 8.618 10.058 ( -33.667 -0.000 -18.473) 38.403 10.682 ( 0.542 0.000 -4.942) 4.972 10.853 ( 4.194 -0.000 11.979) 12.692 10.896 ( -2.940 -0.000 4.019) 4.979 11.747 ( 44.332 0.000 4.017) 44.514 11.845 ( -2.265 0.000 -13.527) 13.715 11.929 ( 10.274 -0.000 22.977) 25.170 12.956 ( 6.487 -0.000 12.408) 14.001 13.425 ( -7.428 0.000 -9.765) 12.268 14.530 ( 2.540 -0.000 3.899) 4.653 14.648 ( 0.706 0.000 -0.873) 1.123 14.756 ( 25.553 0.000 -5.721) 26.185 15.102 ( 0.314 -0.000 26.839) 26.840 15.359 ( -6.969 0.000 -12.990) 14.742 15.950 ( 5.540 0.000 -10.992) 12.310 16.026 ( -38.320 -0.000 -0.486) 38.323 16.268 ( 5.728 0.000 -6.134) 8.393 16.427 ( -0.227 -0.000 0.036) 0.229 16.648 ( 22.043 0.000 -3.881) 22.382 17.070 ( 4.606 0.000 -2.776) 5.377 17.154 ( 0.271 -0.000 5.547) 5.554 17.254 ( 10.772 0.000 -11.911) 16.060 17.412 ( -2.595 -0.000 -2.574) 3.655 17.662 ( -1.576 0.000 -2.071) 2.603 17.837 ( -1.717 -0.000 12.690) 12.806 18.281 ( 2.483 -0.000 11.791) 12.049 18.430 ( -20.559 -0.000 -15.514) 25.756 18.585 ( -8.688 -0.000 2.153) 8.951 18.859 ( -10.713 0.000 -21.363) 23.898 19.211 ( 16.828 0.000 -16.977) 23.904 19.316 ( -2.493 -0.000 8.106) 8.480 19.385 ( 14.038 0.000 -5.384) 15.035 19.565 ( -20.628 -0.000 -2.663) 20.800 19.906 ( -10.957 -0.000 2.564) 11.253 20.138 ( 2.593 -0.000 23.268) 23.412 20.647 ( -16.375 -0.000 -8.009) 18.229 20.674 ( 0.635 0.000 0.434) 0.769 20.892 ( 11.035 0.000 8.763) 14.091 21.605 ( -19.338 -0.000 7.176) 20.626 21.860 ( 1.796 -0.000 6.795) 7.029 21.955 ( 5.421 0.000 -0.275) 5.428 21.960 ( 2.658 0.000 -0.741) 2.759 22.215 ( -3.029 -0.000 -1.840) 3.544 22.285 ( 2.390 0.000 -2.982) 3.822 22.511 ( 6.260 -0.000 10.057) 11.846 22.513 ( 1.770 -0.000 6.218) 6.465 22.683 ( 1.838 0.000 -2.894) 3.429 22.875 ( 4.802 0.000 -0.207) 4.806 22.935 ( 0.415 0.000 -1.255) 1.322 23.164 ( -10.727 -0.000 -5.410) 12.014 23.483 ( 4.922 0.000 -1.491) 5.143 23.551 ( 2.482 -0.000 4.451) 5.096 23.628 ( -5.354 -0.000 0.097) 5.354 23.853 ( -1.413 0.000 -6.120) 6.281 23.966 ( 0.012 0.000 -1.001) 1.001 23.972 ( -6.252 -0.000 -5.449) 8.293 24.598 ( 4.472 0.000 0.118) 4.473 24.773 ( -6.973 -0.000 3.579) 7.837 24.921 ( -6.270 -0.000 -1.717) 6.501 25.612 ( 0.119 0.000 -0.720) 0.730 26.337 ( 4.929 0.000 1.220) 5.077 26.398 ( 0.494 0.000 -0.028) 0.495 26.741 ( 4.698 0.000 2.549) 5.345 26.811 ( -2.435 -0.000 1.030) 2.644 28.402 ( 1.809 -0.000 2.902) 3.420 28.516 ( -0.792 0.000 -3.487) 3.576 28.933 ( 7.487 0.000 -2.197) 7.802 29.040 ( 5.397 0.000 -1.002) 5.489 29.157 ( -6.936 -0.000 -2.482) 7.366 29.300 ( -3.112 -0.000 -2.773) 4.168 29.596 ( -1.041 -0.000 1.034) 1.467 29.893 ( 2.521 -0.000 5.584) 6.126 29.921 ( -0.868 -0.000 3.904) 3.999 30.196 ( -5.771 -0.000 2.967) 6.489 30.239 ( 1.261 0.000 -4.263) 4.446 30.504 ( -1.412 0.000 -1.627) 2.154 31.063 ( 0.436 -0.000 0.803) 0.914 31.530 ( 2.087 0.000 -0.148) 2.092 31.724 ( 2.607 0.000 0.279) 2.622 32.335 ( 0.646 0.000 -0.309) 0.716 32.653 ( -2.617 -0.000 -1.898) 3.232 33.230 ( 1.879 0.000 -0.195) 1.889 34.391 ( 0.497 0.000 0.329) 0.596 34.845 ( -0.797 0.000 -0.932) 1.227 49.724 ( 3.064 0.000 -0.285) 3.077 49.811 ( -0.459 -0.000 1.897) 1.952 ======================= Grid point 32 (32/105) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -38.041 0.000 -41.287) 56.140 3.655 ( -43.743 -0.000 12.151) 45.400 5.045 ( -45.681 0.000 -61.740) 76.802 6.590 ( -5.521 -0.000 -2.532) 6.074 6.786 ( -3.578 0.000 -7.068) 7.922 7.008 ( 4.764 0.000 -2.019) 5.174 7.554 ( 6.357 0.000 -1.883) 6.630 7.852 ( 1.792 0.000 -8.379) 8.568 8.232 ( -68.508 -0.000 -60.895) 91.660 9.014 ( -30.100 -0.000 55.930) 63.515 9.967 ( 4.978 0.000 -4.777) 6.899 10.602 ( -0.488 0.000 -5.337) 5.359 11.247 ( -0.469 0.000 -8.005) 8.019 11.354 ( 23.700 0.000 -3.738) 23.993 11.779 ( 5.216 -0.000 35.198) 35.582 12.153 ( 43.580 0.000 11.353) 45.035 12.283 ( 5.876 0.000 2.063) 6.227 12.629 ( -8.671 0.000 -10.516) 13.629 13.016 ( -26.754 -0.000 16.661) 31.518 13.483 ( -4.052 -0.000 0.464) 4.078 14.085 ( -23.980 -0.000 -11.290) 26.504 14.289 ( -10.953 -0.000 21.515) 24.143 14.617 ( -17.489 -0.000 7.089) 18.872 14.955 ( -24.328 -0.000 -0.371) 24.331 15.588 ( 4.656 -0.000 21.392) 21.892 16.047 ( -12.516 -0.000 14.018) 18.792 16.275 ( 7.544 0.000 6.814) 10.166 16.621 ( 6.857 0.000 -1.316) 6.982 16.780 ( -11.511 -0.000 -2.769) 11.840 16.906 ( -1.110 -0.000 4.978) 5.100 17.194 ( 2.036 0.000 -4.667) 5.092 17.550 ( 4.473 0.000 -9.991) 10.947 17.759 ( 10.032 0.000 5.039) 11.226 17.840 ( -1.180 0.000 -10.376) 10.443 17.853 ( 12.071 0.000 -7.078) 13.993 18.251 ( -6.402 0.000 -18.749) 19.812 18.590 ( -15.111 -0.000 6.147) 16.314 18.694 ( 3.999 0.000 -1.886) 4.422 18.846 ( 6.479 -0.000 19.103) 20.172 19.360 ( 0.099 0.000 -3.454) 3.455 19.568 ( 11.702 0.000 -11.652) 16.514 19.714 ( 24.049 0.000 -9.169) 25.738 20.065 ( -12.705 -0.000 -3.985) 13.315 20.075 ( 6.393 0.000 -15.778) 17.024 20.273 ( 3.192 -0.000 15.561) 15.885 20.493 ( 13.707 -0.000 16.333) 21.323 20.965 ( 14.158 0.000 8.571) 16.550 21.028 ( -3.780 0.000 -9.048) 9.806 21.767 ( 0.561 0.000 -9.923) 9.938 21.966 ( 7.306 0.000 -2.554) 7.739 21.975 ( 5.008 0.000 0.019) 5.008 22.098 ( -2.950 0.000 -8.334) 8.841 22.145 ( -6.584 -0.000 0.051) 6.584 22.263 ( -0.071 0.000 -5.226) 5.226 22.390 ( -3.491 -0.000 2.355) 4.211 22.608 ( 2.789 0.000 -8.621) 9.061 22.747 ( 5.292 0.000 -5.230) 7.441 22.882 ( 4.418 -0.000 6.693) 8.020 22.904 ( 11.667 0.000 -3.197) 12.097 23.178 ( -8.202 -0.000 4.924) 9.566 23.516 ( 5.479 -0.000 6.667) 8.630 23.732 ( 9.979 0.000 4.338) 10.881 23.773 ( -2.919 0.000 -3.259) 4.375 23.927 ( 2.548 -0.000 3.368) 4.223 24.157 ( -5.520 0.000 -9.238) 10.762 24.263 ( 12.114 0.000 10.772) 16.211 24.534 ( 6.483 0.000 4.590) 7.944 25.017 ( 4.696 0.000 0.060) 4.697 25.118 ( 1.122 -0.000 11.079) 11.136 25.638 ( 2.249 -0.000 3.703) 4.333 26.089 ( -6.331 -0.000 0.139) 6.333 26.198 ( -8.029 -0.000 4.592) 9.250 26.588 ( 1.279 0.000 -11.419) 11.491 26.828 ( -0.656 -0.000 -0.261) 0.706 28.279 ( -5.420 -0.000 -4.175) 6.842 28.510 ( -1.054 -0.000 5.755) 5.851 28.556 ( -8.674 -0.000 -0.767) 8.708 28.819 ( -5.329 -0.000 -1.724) 5.601 29.374 ( 3.399 0.000 1.744) 3.820 29.479 ( 5.120 0.000 2.775) 5.824 29.672 ( 2.342 0.000 -0.259) 2.356 29.818 ( -1.802 0.000 -8.985) 9.164 29.996 ( 1.512 0.000 -3.106) 3.454 30.156 ( -0.728 -0.000 0.781) 1.067 30.577 ( 10.718 0.000 1.965) 10.897 30.730 ( 8.845 0.000 0.481) 8.858 31.223 ( 8.791 0.000 -5.192) 10.210 31.315 ( -6.647 -0.000 1.419) 6.796 31.491 ( -8.423 -0.000 -1.292) 8.522 32.147 ( -7.714 -0.000 3.638) 8.529 32.706 ( 0.057 -0.000 5.946) 5.947 33.014 ( -10.086 -0.000 0.065) 10.086 34.384 ( 0.155 0.000 -0.620) 0.639 34.865 ( 0.292 -0.000 1.745) 1.770 49.609 ( -1.423 -0.000 -0.287) 1.452 49.968 ( 4.733 0.000 -8.736) 9.936 ======================= Grid point 33 (33/105) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 42.323 -0.463 -2.000) 42.372 5.362 ( 15.180 51.112 15.442) 55.510 6.310 ( 0.495 -3.063 11.254) 11.674 6.546 ( 9.810 -16.371 4.083) 19.517 6.641 ( 19.480 2.233 -0.838) 19.625 6.878 ( 8.820 -4.685 -2.536) 10.304 7.348 ( -12.017 2.222 4.928) 13.177 7.670 ( 28.341 -13.337 -15.579) 34.983 8.149 ( -11.015 1.182 0.509) 11.090 8.937 ( 17.547 -10.821 0.517) 20.622 10.049 ( 31.890 0.181 23.058) 39.353 10.422 ( 14.138 -4.245 -13.489) 19.997 10.950 ( -6.868 -3.242 -5.022) 9.105 11.246 ( -6.617 -3.202 -8.440) 11.193 11.687 ( -14.594 13.628 7.279) 21.253 11.936 ( -20.126 -12.309 -5.472) 24.218 12.761 ( 8.117 25.835 -9.807) 28.801 12.885 ( 15.415 19.113 -7.793) 25.762 13.037 ( 8.773 4.156 2.496) 10.023 13.295 ( 8.043 -10.158 6.652) 14.564 13.406 ( 11.344 -22.276 5.537) 25.604 13.980 ( 11.879 -17.879 2.629) 21.626 14.181 ( 31.841 -7.732 1.773) 32.814 14.945 ( 16.449 1.888 -0.543) 16.566 15.172 ( -7.143 5.454 -3.381) 9.602 15.983 ( 8.416 8.367 -5.474) 13.069 16.522 ( -11.841 7.657 -1.727) 14.206 16.720 ( -5.944 2.108 -3.712) 7.318 16.989 ( 2.221 -18.380 9.196) 20.672 17.119 ( -1.059 6.282 4.837) 7.999 17.295 ( 8.097 7.183 -7.542) 13.192 17.483 ( 6.898 1.726 5.946) 9.269 17.913 ( 4.081 4.812 -1.245) 6.431 18.007 ( -10.978 1.158 -1.762) 11.179 18.146 ( -1.707 5.125 1.507) 5.608 18.284 ( -6.156 -9.885 3.456) 12.147 18.481 ( -6.681 -6.172 -0.872) 9.138 18.680 ( -1.871 -11.451 1.868) 11.752 19.028 ( -16.398 -1.341 -0.558) 16.462 19.202 ( -13.814 18.480 1.907) 23.151 19.652 ( 0.172 15.409 -2.896) 15.680 19.849 ( 9.998 -2.301 -8.438) 13.284 19.895 ( -6.660 11.169 2.152) 13.180 20.140 ( -2.699 -1.750 -5.423) 6.305 20.334 ( -5.806 3.564 2.732) 7.340 20.662 ( -7.356 6.008 3.133) 10.001 20.720 ( -1.264 -31.411 1.880) 31.493 21.236 ( -7.471 -1.036 0.021) 7.543 21.359 ( -1.126 1.276 -1.658) 2.376 21.728 ( -5.475 -8.747 -1.016) 10.369 21.923 ( -2.777 -0.134 -1.114) 2.995 21.955 ( -5.305 -1.135 0.865) 5.493 22.165 ( 3.773 -1.578 0.294) 4.100 22.297 ( 2.080 0.979 1.939) 3.008 22.388 ( 1.688 -0.067 -1.848) 2.504 22.669 ( 2.012 4.352 -0.251) 4.801 22.748 ( -3.183 -0.414 -3.215) 4.543 23.001 ( -8.269 -1.192 2.425) 8.700 23.066 ( -13.005 2.325 9.374) 16.200 23.156 ( -14.363 -2.989 -5.318) 15.605 23.496 ( 4.558 3.167 2.308) 6.011 23.618 ( 0.893 -1.844 -1.419) 2.493 23.883 ( -0.878 0.713 -0.963) 1.485 24.023 ( -3.474 0.888 -5.128) 6.257 24.159 ( 1.994 1.485 1.361) 2.835 24.377 ( -4.266 3.927 8.064) 9.932 24.510 ( 6.509 -1.632 -5.262) 8.527 24.888 ( -5.764 3.437 0.769) 6.755 25.030 ( -6.292 1.971 -3.338) 7.390 25.369 ( -1.635 -8.033 0.168) 8.199 26.021 ( 10.926 -0.686 -0.230) 10.950 26.238 ( 6.645 1.285 -0.069) 6.769 26.740 ( -0.937 -0.176 -2.222) 2.417 26.793 ( -2.184 -0.145 2.321) 3.190 28.333 ( 6.199 0.057 0.300) 6.206 28.359 ( 4.155 -0.753 -0.628) 4.269 28.586 ( 5.822 -0.733 1.409) 6.034 28.947 ( 2.215 0.591 0.620) 2.374 29.434 ( -4.937 1.059 -0.135) 5.052 29.535 ( -5.015 4.664 -2.113) 7.167 29.713 ( -1.642 4.782 -3.058) 5.909 29.855 ( -2.096 -7.313 6.862) 10.246 30.104 ( 3.951 4.697 -5.122) 7.994 30.182 ( -0.703 -1.411 5.351) 5.578 30.540 ( -6.900 -5.132 0.033) 8.599 30.572 ( -7.898 0.505 -1.161) 7.998 31.242 ( -1.063 -0.577 0.367) 1.264 31.315 ( -5.742 -0.146 0.293) 5.751 31.668 ( 7.302 7.406 2.453) 10.686 31.830 ( 7.007 -9.033 -3.341) 11.910 32.740 ( 6.448 4.704 -3.734) 8.811 32.945 ( 6.491 -3.557 2.635) 7.857 34.544 ( 0.454 5.426 1.241) 5.585 34.698 ( -0.258 -5.170 -1.374) 5.356 49.686 ( -0.094 1.211 -0.148) 1.224 50.218 ( -9.466 1.086 3.331) 10.094 ======================= Grid point 34 (34/105) ======================= q-point: ( 0.34 -0.51 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.139 ( -33.441 -6.844 3.550) 34.318 5.568 ( 13.527 18.349 2.733) 22.960 5.854 ( -13.313 47.546 -7.234) 49.902 6.577 ( -9.474 -11.514 -1.441) 14.980 7.156 ( -17.014 1.603 1.610) 17.165 7.258 ( -10.524 -3.492 -2.441) 11.354 7.299 ( -6.605 -1.341 -0.700) 6.776 7.498 ( 5.047 -7.342 -5.647) 10.548 8.861 ( 4.222 -14.129 -0.919) 14.775 9.283 ( 29.830 -11.324 10.274) 33.520 9.799 ( -1.948 -8.188 -6.417) 10.584 9.850 ( 9.487 -7.104 -7.382) 13.963 11.096 ( -23.285 14.338 -4.285) 27.679 11.313 ( -12.607 -6.695 24.605) 28.446 12.064 ( -16.891 13.612 5.333) 22.339 12.406 ( -1.457 26.177 -11.334) 28.562 12.806 ( 12.195 4.716 -11.066) 17.129 12.962 ( 10.699 -27.002 -2.316) 29.136 13.569 ( -7.224 23.092 0.289) 24.197 13.779 ( -19.616 11.274 -8.888) 24.308 14.257 ( -4.967 -17.231 5.644) 18.799 14.371 ( 8.156 -3.710 -10.418) 13.741 14.679 ( -7.513 -19.221 0.229) 20.638 14.885 ( 7.644 -17.414 2.126) 19.136 15.716 ( -9.910 -16.792 1.895) 19.590 15.806 ( 31.520 5.811 -4.876) 32.420 16.302 ( -2.841 14.322 -4.089) 15.163 16.699 ( 0.065 -20.409 -6.393) 21.387 16.915 ( -6.251 2.277 11.606) 13.377 17.043 ( 8.162 4.182 10.647) 14.052 17.475 ( -8.371 18.976 2.277) 20.865 17.621 ( 0.742 9.625 2.427) 9.954 17.893 ( -3.345 7.469 3.794) 9.021 18.051 ( -7.323 14.393 8.883) 18.431 18.169 ( -2.654 -3.766 2.843) 5.414 18.311 ( -4.127 9.021 6.544) 11.884 18.537 ( 4.055 -9.247 1.271) 10.177 18.701 ( -2.931 -13.609 14.767) 20.294 18.867 ( 4.133 3.237 2.558) 5.840 19.048 ( -1.925 -18.030 1.973) 18.239 19.426 ( 3.579 9.999 3.887) 11.309 19.550 ( 9.812 6.858 -7.032) 13.884 19.661 ( 0.749 6.631 -8.861) 11.093 19.892 ( -4.071 22.894 0.632) 23.262 20.103 ( 18.541 -4.729 -0.682) 19.146 20.482 ( 6.011 -10.883 -4.789) 13.323 20.507 ( -8.943 -4.711 -6.342) 11.932 20.745 ( 2.301 -23.526 -11.070) 26.102 21.339 ( 4.669 9.194 -6.842) 12.375 21.456 ( -2.425 -11.752 0.723) 12.021 21.737 ( 0.863 7.282 -9.806) 12.245 21.850 ( -1.184 -5.353 -0.535) 5.509 22.057 ( -6.143 3.320 0.361) 6.993 22.238 ( 4.021 -3.945 0.318) 5.642 22.419 ( -2.194 1.076 6.097) 6.569 22.493 ( 2.170 -1.373 2.671) 3.705 22.854 ( -4.747 0.321 1.474) 4.981 22.894 ( 0.691 3.945 -0.247) 4.013 22.950 ( 4.743 0.412 -1.525) 4.999 23.064 ( 9.157 -4.576 2.391) 10.513 23.502 ( -5.276 0.449 3.738) 6.481 23.662 ( 9.803 0.398 3.682) 10.479 23.854 ( -7.502 4.108 0.234) 8.556 23.969 ( 0.124 -0.047 3.061) 3.064 24.183 ( 2.931 7.309 -0.612) 7.898 24.264 ( -0.804 7.956 -9.526) 12.437 24.503 ( 8.472 -3.364 0.261) 9.119 24.537 ( -3.254 -10.543 2.150) 11.242 25.048 ( 4.670 13.122 -3.122) 14.274 25.313 ( 1.084 -15.330 1.146) 15.411 26.367 ( -4.940 -0.001 2.527) 5.549 26.425 ( 1.084 0.272 2.929) 3.135 26.690 ( -6.630 -0.089 -2.722) 7.168 26.776 ( 2.768 0.634 -3.370) 4.407 28.406 ( -4.243 2.768 -1.317) 5.234 28.523 ( 2.921 -1.939 1.436) 3.788 28.933 ( -6.727 0.444 1.576) 6.923 29.044 ( -0.367 -2.986 -0.499) 3.050 29.380 ( -0.063 2.020 3.848) 4.346 29.441 ( 5.113 2.615 4.313) 7.183 29.569 ( 1.491 3.317 -3.334) 4.934 29.628 ( -0.490 -4.061 -2.991) 5.068 30.013 ( -3.102 2.178 -2.260) 4.413 30.123 ( 5.860 0.877 -4.144) 7.231 30.362 ( 0.107 2.987 2.635) 3.985 30.455 ( 1.864 -4.025 1.755) 4.770 31.141 ( -3.119 5.668 -0.482) 6.487 31.331 ( 1.667 -7.599 0.597) 7.802 31.856 ( -3.946 6.915 0.030) 7.962 32.063 ( 1.163 -9.715 0.894) 9.825 32.947 ( 1.676 8.999 0.075) 9.154 33.064 ( -3.441 -8.456 -0.630) 9.151 34.560 ( -1.083 7.511 0.182) 7.591 34.720 ( 1.038 -6.919 0.574) 7.020 49.768 ( -5.973 -0.446 0.300) 5.997 49.861 ( 7.096 4.354 0.396) 8.335 ======================= Grid point 35 (35/105) ======================= q-point: ( 0.34 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -44.423 -0.592 10.133) 45.568 3.043 ( -42.552 9.126 51.070) 67.098 4.148 ( -73.806 30.229 62.442) 101.293 5.149 ( -24.860 87.842 12.969) 92.209 6.534 ( -3.138 3.021 10.816) 11.660 6.916 ( -2.468 3.343 -2.094) 4.653 7.109 ( 6.425 -3.922 -3.279) 8.210 7.744 ( 5.942 1.041 -2.359) 6.477 8.260 ( 12.482 -2.965 7.186) 14.705 9.185 ( -2.962 -25.543 -30.797) 40.121 9.456 ( -13.091 -22.471 -29.012) 38.962 10.934 ( 14.080 20.770 3.895) 25.393 10.965 ( 8.333 8.342 14.796) 18.919 11.414 ( -2.764 -5.093 21.987) 22.738 12.266 ( -17.546 8.986 2.625) 19.887 12.474 ( 5.365 -24.710 -3.911) 25.587 12.554 ( -3.008 3.920 6.951) 8.528 12.737 ( -5.475 -6.682 -8.297) 11.977 12.868 ( 5.422 -15.625 0.927) 16.565 13.000 ( -17.044 19.521 -4.425) 26.290 13.687 ( 2.095 -32.510 -23.847) 40.373 13.797 ( 2.696 -7.561 -5.284) 9.610 14.716 ( 0.603 5.384 -15.910) 16.807 14.856 ( -1.591 0.781 -20.125) 20.203 15.654 ( 12.653 -9.157 -11.494) 19.393 16.306 ( -13.483 3.561 -18.623) 23.266 16.671 ( 8.458 2.457 4.171) 9.745 16.811 ( 2.244 -11.039 0.127) 11.266 16.863 ( -2.004 -13.714 4.467) 14.562 17.120 ( -6.960 13.992 1.312) 15.683 17.242 ( -8.276 9.292 -10.989) 16.601 17.429 ( -3.597 16.152 -4.196) 17.072 17.772 ( 1.909 7.263 16.771) 18.375 17.922 ( 7.620 13.209 -2.572) 15.465 18.025 ( -2.697 -20.823 2.316) 21.124 18.272 ( -3.022 17.645 -0.497) 17.909 18.531 ( 2.999 10.084 5.136) 11.707 18.607 ( -7.594 6.140 20.074) 22.323 18.886 ( -1.163 -18.894 8.822) 20.884 18.980 ( -10.763 -4.486 7.356) 13.787 19.475 ( 10.504 1.673 5.939) 12.182 19.872 ( 3.135 11.373 -10.922) 16.077 20.054 ( 7.196 23.826 -1.143) 24.915 20.375 ( -2.097 3.178 -0.130) 3.809 20.604 ( 16.178 -24.243 -1.001) 29.162 20.757 ( 7.324 -14.442 4.124) 16.709 20.823 ( 5.165 -13.412 -7.870) 16.386 20.917 ( 0.023 5.005 5.871) 7.715 21.298 ( -0.283 -10.689 0.810) 10.723 21.576 ( -6.574 -10.948 6.899) 14.515 21.698 ( 2.523 3.093 10.831) 11.543 21.895 ( 0.286 -3.074 9.894) 10.365 22.063 ( 12.378 1.544 3.797) 13.039 22.371 ( -0.726 -4.679 -1.603) 4.999 22.542 ( 7.527 3.277 -2.062) 8.464 22.638 ( -4.496 2.609 -4.991) 7.207 22.779 ( -1.222 2.593 -3.358) 4.415 22.977 ( 5.926 5.900 3.450) 9.046 23.081 ( 1.033 4.033 1.713) 4.502 23.209 ( -10.966 0.887 8.279) 13.769 23.516 ( -13.734 3.956 4.887) 15.105 23.592 ( -2.106 -2.753 -2.305) 4.163 23.827 ( -3.628 2.370 2.763) 5.139 23.968 ( 10.243 -7.925 -1.791) 13.074 24.454 ( 9.829 2.908 -14.757) 17.967 24.701 ( 7.022 2.638 -11.212) 13.490 24.939 ( 8.313 -0.500 -7.047) 10.910 25.089 ( 7.318 4.447 0.618) 8.586 25.312 ( 3.571 -2.094 -5.146) 6.604 25.565 ( 4.996 -13.868 -4.443) 15.396 25.922 ( -9.102 -2.582 -3.747) 10.176 26.229 ( -4.811 1.504 -7.384) 8.940 26.321 ( 1.331 -2.305 13.901) 14.153 26.747 ( -0.804 1.731 9.022) 9.222 28.150 ( -3.804 2.761 1.306) 4.878 28.370 ( -7.354 1.533 -4.116) 8.566 28.529 ( -1.625 0.765 -1.495) 2.337 28.812 ( -1.672 0.184 4.510) 4.813 29.496 ( -0.915 0.419 4.060) 4.182 29.616 ( 2.826 -0.460 -1.800) 3.382 29.727 ( 1.848 0.285 -0.670) 1.986 29.886 ( 2.563 15.270 -1.476) 15.553 29.896 ( -1.060 -5.865 2.942) 6.646 30.265 ( 1.099 5.150 -2.559) 5.855 30.705 ( 7.018 -6.880 -1.541) 9.948 30.783 ( 6.408 -3.651 0.864) 7.426 31.170 ( 2.100 3.160 3.201) 4.964 31.381 ( -0.295 2.289 0.880) 2.470 31.424 ( -4.123 5.196 2.449) 7.071 31.854 ( -5.502 -10.407 -3.246) 12.211 32.497 ( -13.533 -7.741 3.633) 16.008 32.943 ( -0.826 4.309 -3.369) 5.532 34.500 ( -0.600 5.162 0.403) 5.212 34.775 ( 0.839 -5.308 -1.515) 5.584 49.662 ( 0.317 0.327 1.184) 1.269 50.616 ( 15.443 13.808 -12.836) 24.370 ======================= Grid point 36 (36/105) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 43.068 -75.423 -0.000) 86.853 4.714 ( 31.665 11.080 0.000) 33.548 5.208 ( 58.385 -3.922 -0.000) 58.516 6.541 ( -0.784 7.679 0.000) 7.719 6.828 ( 4.303 -3.648 -0.000) 5.641 7.146 ( 8.759 0.646 0.000) 8.783 7.355 ( -6.184 -2.969 -0.000) 6.860 7.570 ( -3.730 0.759 0.000) 3.807 8.157 ( 104.885 -7.022 -0.000) 105.120 9.464 ( -15.070 15.047 0.000) 21.296 10.197 ( -4.183 28.476 0.000) 28.782 10.428 ( -27.626 8.445 0.000) 28.888 10.867 ( -11.787 -1.500 -0.000) 11.882 11.491 ( 12.804 -10.120 -0.000) 16.321 11.764 ( -12.003 -12.931 -0.000) 17.643 12.106 ( -12.102 -13.319 -0.000) 17.996 12.635 ( 6.299 -14.928 -0.000) 16.202 12.846 ( 5.171 -12.225 -0.000) 13.273 13.267 ( 1.375 7.691 0.000) 7.812 13.960 ( -0.587 -20.932 -0.000) 20.940 14.089 ( 27.356 15.071 0.000) 31.233 14.383 ( -7.702 39.783 0.000) 40.522 14.906 ( 29.033 26.750 0.000) 39.477 14.963 ( -3.102 0.931 0.000) 3.239 16.078 ( -9.192 -7.300 -0.000) 11.738 16.104 ( 4.508 31.476 0.000) 31.797 16.671 ( 6.130 -12.697 -0.000) 14.099 16.814 ( -33.085 12.546 0.000) 35.384 16.926 ( 11.750 5.410 0.000) 12.935 17.046 ( -5.075 -14.241 -0.000) 15.119 17.218 ( -4.725 -6.734 -0.000) 8.226 17.535 ( 12.773 -27.928 -0.000) 30.710 17.601 ( -16.642 -10.707 -0.000) 19.789 17.726 ( -0.021 -10.397 -0.000) 10.397 17.781 ( 7.873 -3.095 -0.000) 8.459 18.055 ( 10.170 -18.544 -0.000) 21.150 18.703 ( 3.342 1.415 0.000) 3.629 18.947 ( -9.228 6.520 0.000) 11.299 18.963 ( -0.609 -14.021 -0.000) 14.034 19.124 ( 6.892 9.518 0.000) 11.751 19.293 ( 0.349 13.200 0.000) 13.205 19.634 ( -16.866 -2.305 -0.000) 17.023 19.678 ( 15.668 9.174 0.000) 18.157 19.989 ( 5.597 2.844 0.000) 6.278 20.158 ( 0.820 -2.614 -0.000) 2.740 20.596 ( -18.169 -4.352 -0.000) 18.682 20.642 ( -6.377 6.438 0.000) 9.062 21.077 ( -10.542 -13.139 -0.000) 16.845 21.298 ( -5.115 16.293 0.000) 17.077 21.505 ( -11.535 3.645 0.000) 12.097 21.703 ( 4.902 18.694 0.000) 19.326 21.865 ( 4.384 1.694 0.000) 4.700 21.915 ( 4.907 0.100 -0.000) 4.908 22.312 ( -0.553 -1.218 -0.000) 1.338 22.467 ( 1.495 -0.492 -0.000) 1.574 22.523 ( -2.399 -6.467 -0.000) 6.897 22.783 ( 0.738 -3.158 -0.000) 3.243 22.915 ( -4.641 -1.425 -0.000) 4.855 23.079 ( -5.624 0.893 0.000) 5.694 23.375 ( -9.067 2.590 0.000) 9.430 23.606 ( 3.048 -2.056 -0.000) 3.676 23.629 ( -1.693 2.033 0.000) 2.646 23.822 ( 6.303 -7.600 -0.000) 9.874 23.905 ( -3.516 1.838 0.000) 3.967 24.093 ( -9.714 1.423 0.000) 9.818 24.287 ( -16.358 0.182 0.000) 16.359 24.395 ( 5.928 -12.067 -0.000) 13.444 24.798 ( -8.687 3.333 0.000) 9.304 25.081 ( -8.922 2.547 0.000) 9.279 25.619 ( -4.527 8.336 0.000) 9.486 26.300 ( 5.585 0.315 -0.000) 5.594 26.458 ( 4.696 0.714 0.000) 4.750 26.503 ( 6.773 -1.071 -0.000) 6.857 26.701 ( 2.030 -0.875 -0.000) 2.211 28.230 ( 4.625 -2.398 -0.000) 5.210 28.593 ( 0.721 -0.277 -0.000) 0.772 28.893 ( 7.164 4.803 0.000) 8.625 28.961 ( 9.391 2.450 0.000) 9.705 29.419 ( -3.395 -12.543 -0.000) 12.994 29.452 ( -4.983 -0.711 -0.000) 5.034 29.544 ( -0.486 1.310 0.000) 1.397 29.648 ( -2.158 0.820 0.000) 2.308 29.963 ( 1.086 1.141 0.000) 1.575 30.068 ( -3.767 -4.732 -0.000) 6.049 30.461 ( -7.161 0.613 0.000) 7.187 30.599 ( -4.737 2.674 0.000) 5.440 31.023 ( 0.115 -1.851 -0.000) 1.854 31.435 ( 3.224 3.663 0.000) 4.880 31.645 ( 7.214 -3.665 -0.000) 8.091 32.244 ( 2.144 7.891 0.000) 8.177 32.851 ( -2.486 -5.745 -0.000) 6.260 33.118 ( 5.239 7.376 0.000) 9.048 34.423 ( 0.458 -4.938 -0.000) 4.959 34.852 ( -0.745 4.273 0.000) 4.337 49.670 ( 3.285 -0.583 -0.000) 3.337 49.850 ( -5.227 -10.351 -0.000) 11.596 ======================= Grid point 37 (37/105) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( -41.151 -1.338 2.431) 41.244 5.215 ( -9.680 -36.072 -19.249) 42.017 6.308 ( -18.357 5.776 23.144) 30.099 6.356 ( 3.748 3.690 4.877) 7.173 6.946 ( -3.864 -1.316 -1.895) 4.501 7.210 ( 1.513 5.884 -5.847) 8.432 7.760 ( 8.511 -4.679 0.690) 9.737 8.089 ( -11.159 25.270 -9.541) 29.225 8.437 ( -12.941 -2.128 -22.331) 25.897 9.454 ( -1.184 25.154 1.921) 25.255 10.130 ( 0.121 13.909 13.301) 19.245 10.258 ( 9.419 -2.301 10.831) 14.537 10.642 ( 11.001 -3.998 15.486) 19.411 11.212 ( -21.213 -16.907 14.735) 30.870 11.836 ( -4.462 -17.326 -9.021) 20.037 11.999 ( 7.721 12.211 -19.763) 24.481 12.472 ( -19.547 -11.355 -8.522) 24.159 12.628 ( -28.232 -5.858 17.691) 33.828 13.152 ( -5.454 -9.142 -0.523) 10.659 13.676 ( -6.196 -1.181 -4.725) 7.881 14.271 ( -14.172 10.086 -3.332) 17.711 14.471 ( -5.074 10.946 -2.837) 12.394 14.928 ( -9.790 -6.529 9.189) 14.930 14.978 ( 4.674 7.623 3.241) 9.511 15.387 ( -31.039 26.847 2.650) 41.124 15.981 ( -16.872 -6.023 -7.580) 19.452 16.395 ( 0.478 -3.165 -10.504) 10.981 16.641 ( 14.231 8.050 -4.857) 17.056 16.903 ( -1.683 -18.516 -2.390) 18.745 17.234 ( 7.452 -2.282 -16.311) 18.077 17.388 ( -2.587 -3.501 4.734) 6.431 17.451 ( -0.589 -5.789 -6.134) 8.455 17.722 ( 4.743 7.083 8.647) 12.143 17.883 ( 10.314 -5.864 -6.078) 13.331 18.102 ( 6.748 -4.546 -6.961) 10.707 18.276 ( 17.439 -4.963 -2.672) 18.327 18.417 ( 11.431 6.215 5.506) 14.128 18.562 ( -1.390 -20.003 3.093) 20.288 18.780 ( -8.606 10.200 -3.389) 13.769 19.045 ( 0.317 6.124 0.808) 6.185 19.415 ( 7.204 9.941 3.804) 12.853 19.553 ( 5.932 -8.450 9.047) 13.728 19.635 ( 11.301 1.187 -5.658) 12.694 20.012 ( 0.327 -5.629 10.994) 12.356 20.183 ( 5.102 -1.482 5.929) 7.961 20.559 ( -10.959 -4.600 2.846) 12.222 20.737 ( 7.058 -4.812 4.598) 9.701 20.865 ( 10.066 -10.509 -2.524) 14.769 21.509 ( 1.441 5.476 14.411) 15.484 21.799 ( -1.595 7.214 7.054) 10.215 21.991 ( 1.916 14.517 0.039) 14.643 22.049 ( -3.563 5.095 -5.973) 8.621 22.167 ( 4.891 2.854 4.557) 7.268 22.310 ( -1.693 1.745 -0.814) 2.564 22.392 ( -1.008 3.921 0.836) 4.134 22.550 ( 1.217 5.813 -0.273) 5.945 22.795 ( 11.073 1.152 -4.427) 11.981 22.867 ( 0.312 -2.106 -2.693) 3.433 22.951 ( 0.687 -1.274 -4.496) 4.723 23.123 ( 7.376 4.046 -1.913) 8.628 23.560 ( -0.712 -2.137 0.439) 2.295 23.702 ( -0.872 -0.844 -2.814) 3.065 23.782 ( -0.064 -9.145 -4.626) 10.248 23.917 ( -6.507 1.205 1.348) 6.753 24.080 ( 10.450 -1.649 0.098) 10.580 24.153 ( 10.932 -14.480 -3.800) 18.537 24.606 ( -0.873 2.262 -2.532) 3.506 24.761 ( 4.008 -1.780 -1.956) 4.802 24.796 ( 4.604 0.850 8.892) 10.049 25.542 ( 0.035 7.316 -0.268) 7.322 26.199 ( -9.130 -0.532 2.388) 9.452 26.346 ( -4.438 -0.505 -2.368) 5.056 26.636 ( -5.623 0.070 6.565) 8.644 26.849 ( 1.241 0.007 -0.918) 1.543 28.381 ( -2.968 -0.574 0.275) 3.036 28.483 ( -1.592 0.805 -2.458) 3.037 28.820 ( -7.848 2.705 -3.114) 8.866 29.018 ( -2.078 2.364 0.131) 3.150 29.248 ( 1.693 -9.127 -0.830) 9.320 29.373 ( 5.039 -0.730 -1.935) 5.447 29.617 ( 2.342 0.173 0.402) 2.382 29.886 ( -0.905 -0.993 8.477) 8.583 30.035 ( 4.024 2.057 -1.351) 4.717 30.187 ( 4.847 -2.446 -2.737) 6.080 30.401 ( 5.634 -1.631 -0.248) 5.871 30.575 ( 5.452 5.711 -2.331) 8.232 31.217 ( 5.685 -0.717 -2.475) 6.242 31.344 ( -6.015 4.932 1.643) 7.950 31.714 ( -4.720 -4.402 -1.252) 6.575 32.075 ( -7.079 8.653 2.345) 11.423 32.627 ( -5.415 -9.038 3.155) 10.999 33.166 ( -3.371 3.275 -1.183) 4.847 34.468 ( 0.887 -4.597 -1.205) 4.834 34.768 ( -1.107 3.619 0.813) 3.871 49.683 ( -1.642 -0.700 -0.410) 1.832 50.133 ( 12.391 1.065 -5.817) 13.730 ======================= Grid point 39 (38/105) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -0.000 0.178 -0.967) 0.984 3.076 ( 0.000 -91.210 -29.803) 95.956 4.022 ( -0.000 -9.177 -85.258) 85.751 5.566 ( -0.000 -0.162 -104.710) 104.710 6.581 ( 0.000 -7.879 -7.759) 11.059 6.906 ( -0.000 -2.222 -13.596) 13.776 7.376 ( -0.000 22.672 -0.788) 22.685 7.780 ( -0.000 6.065 12.388) 13.793 8.061 ( 0.000 4.390 56.167) 56.338 8.334 ( 0.000 -14.149 7.720) 16.118 9.798 ( -0.000 29.661 2.140) 29.738 10.802 ( 0.000 -19.949 -8.065) 21.518 11.274 ( -0.000 3.675 -16.539) 16.943 11.710 ( 0.000 -3.748 70.633) 70.733 11.968 ( 0.000 -13.935 1.739) 14.043 12.038 ( 0.000 -5.612 0.115) 5.613 12.523 ( -0.000 8.015 -24.021) 25.323 12.674 ( -0.000 2.251 -6.930) 7.287 13.075 ( -0.000 22.826 -4.103) 23.192 13.306 ( -0.000 9.834 -6.385) 11.726 13.684 ( -0.000 9.751 5.636) 11.263 13.957 ( -0.000 20.799 34.109) 39.951 14.124 ( 0.000 -1.617 33.391) 33.430 14.583 ( -0.000 11.059 -5.430) 12.321 15.269 ( 0.000 -27.681 17.319) 32.653 15.651 ( 0.000 3.230 18.302) 18.585 16.612 ( 0.000 -12.338 7.050) 14.210 16.840 ( 0.000 -1.782 -4.188) 4.551 16.887 ( 0.000 -4.886 -4.717) 6.792 16.968 ( 0.000 -14.057 -4.068) 14.634 17.235 ( -0.000 13.129 3.678) 13.634 17.556 ( -0.000 12.258 -13.932) 18.556 17.729 ( 0.000 -11.647 5.875) 13.045 17.877 ( -0.000 3.603 -3.471) 5.003 18.168 ( -0.000 -5.011 -13.861) 14.739 18.345 ( 0.000 -26.507 -5.038) 26.981 18.529 ( 0.000 -16.941 -2.927) 17.192 18.577 ( -0.000 16.039 -13.041) 20.672 19.133 ( 0.000 -4.268 13.333) 13.999 19.151 ( -0.000 -3.080 -17.744) 18.010 19.415 ( -0.000 20.096 -5.883) 20.940 19.677 ( 0.000 2.014 14.027) 14.171 20.024 ( 0.000 0.639 6.661) 6.691 20.365 ( 0.000 -4.579 -3.302) 5.645 20.692 ( -0.000 4.153 7.970) 8.987 20.717 ( 0.000 -11.756 -13.574) 17.957 21.022 ( 0.000 -2.347 -5.460) 5.943 21.496 ( 0.000 0.673 3.098) 3.170 21.605 ( -0.000 34.958 -4.168) 35.205 21.812 ( -0.000 7.744 -10.557) 13.093 21.999 ( 0.000 -4.175 -3.233) 5.280 22.026 ( -0.000 3.396 -9.245) 9.849 22.216 ( 0.000 -1.310 2.905) 3.187 22.300 ( -0.000 7.972 4.342) 9.078 22.394 ( 0.000 -6.228 7.959) 10.106 22.453 ( 0.000 -6.018 2.244) 6.423 22.918 ( -0.000 -0.798 -7.032) 7.077 23.017 ( 0.000 -0.700 4.917) 4.967 23.054 ( 0.000 -7.757 -6.751) 10.283 23.437 ( -0.000 3.640 -6.952) 7.848 23.547 ( -0.000 0.845 1.385) 1.622 23.560 ( -0.000 0.443 -28.139) 28.143 23.723 ( 0.000 -6.365 -0.371) 6.376 24.074 ( 0.000 -4.773 4.435) 6.515 24.371 ( 0.000 -1.925 -1.173) 2.254 24.377 ( -0.000 9.356 22.337) 24.217 24.615 ( 0.000 -3.196 22.230) 22.458 25.117 ( 0.000 -0.252 16.176) 16.178 25.135 ( 0.000 -2.206 -1.447) 2.638 25.744 ( -0.000 8.168 5.365) 9.773 25.828 ( -0.000 3.077 1.899) 3.616 25.960 ( 0.000 -3.426 3.617) 4.982 26.768 ( -0.000 2.603 -13.593) 13.840 26.839 ( 0.000 -1.840 -2.945) 3.473 28.057 ( 0.000 -1.965 -1.108) 2.256 28.345 ( -0.000 6.178 -1.588) 6.379 28.469 ( 0.000 -0.377 1.768) 1.808 28.786 ( 0.000 -6.488 -2.153) 6.836 29.502 ( 0.000 -7.853 -2.193) 8.153 29.614 ( 0.000 -0.007 1.731) 1.731 29.725 ( 0.000 -0.046 0.546) 0.548 29.773 ( -0.000 0.516 -6.204) 6.226 29.991 ( 0.000 -0.556 2.322) 2.387 30.176 ( -0.000 -0.150 -1.897) 1.903 30.890 ( -0.000 7.125 4.149) 8.245 30.907 ( -0.000 4.069 3.494) 5.364 31.151 ( 0.000 -5.249 -4.754) 7.082 31.287 ( 0.000 -3.430 -0.087) 3.431 31.574 ( -0.000 2.403 -4.837) 5.401 31.856 ( -0.000 6.839 5.813) 8.976 32.538 ( -0.000 2.689 -7.760) 8.213 32.743 ( 0.000 -4.014 6.634) 7.754 34.427 ( 0.000 -3.479 -0.823) 3.575 34.831 ( -0.000 3.937 1.830) 4.342 49.655 ( 0.000 -4.281 0.921) 4.379 50.221 ( 0.000 -13.940 -2.862) 14.231 ======================= Grid point 40 (39/105) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.965 ( 24.615 9.571 0.415) 26.413 5.171 ( 19.664 24.248 4.610) 31.558 5.772 ( -28.281 3.260 3.067) 28.633 6.792 ( 1.668 -7.892 2.705) 8.508 7.105 ( 9.144 7.983 2.014) 12.305 7.302 ( 4.045 -3.404 -3.218) 6.189 7.531 ( -5.652 2.067 3.096) 6.767 7.856 ( 9.473 -4.555 12.240) 16.134 8.827 ( 10.751 -10.454 -12.277) 19.380 9.389 ( -13.292 -25.473 -5.139) 29.189 9.890 ( -6.157 -2.344 -2.296) 6.976 10.283 ( -4.155 -23.883 -0.302) 24.243 10.785 ( -8.701 2.850 -10.617) 14.020 11.101 ( -12.205 -5.125 12.568) 18.253 11.876 ( 10.510 19.081 1.602) 21.843 12.311 ( 12.829 46.851 -6.183) 48.968 12.646 ( 20.081 15.260 14.611) 29.148 13.142 ( 0.909 2.073 1.753) 2.864 13.534 ( -4.617 24.091 3.673) 24.802 13.870 ( 23.133 -40.194 -12.085) 47.925 14.460 ( 21.345 -17.220 0.758) 27.435 14.567 ( 3.423 -9.409 -1.475) 10.120 15.052 ( 12.959 -19.725 -5.671) 24.273 15.393 ( 4.934 -11.642 -8.628) 15.308 15.828 ( -8.188 -6.951 -4.921) 11.814 15.888 ( -3.381 8.660 4.416) 10.293 16.190 ( -9.754 2.257 5.983) 11.664 16.383 ( 1.526 2.525 4.162) 5.102 16.918 ( -3.165 -10.902 -1.338) 11.431 17.077 ( 11.116 24.666 0.643) 27.063 17.229 ( -1.493 5.957 5.000) 7.919 17.403 ( -5.608 4.104 10.117) 12.273 17.512 ( -3.456 13.725 -2.370) 14.350 17.674 ( -12.456 1.738 0.023) 12.576 17.979 ( -2.967 4.185 -3.307) 6.103 18.132 ( -2.468 -11.897 -14.721) 19.088 18.227 ( -8.998 -5.856 7.484) 13.087 18.543 ( -2.161 -16.882 -0.322) 17.023 18.854 ( -4.590 32.890 0.519) 33.213 19.056 ( 6.136 2.042 4.691) 7.989 19.276 ( -3.333 -9.157 0.571) 9.761 19.305 ( 4.082 -6.230 -3.347) 8.165 19.684 ( 3.296 8.820 -2.036) 9.634 19.921 ( -14.155 6.407 -0.285) 15.540 20.390 ( 2.106 -0.205 3.139) 3.786 20.522 ( -10.207 0.998 -6.199) 11.984 20.884 ( 2.599 15.080 0.387) 15.307 20.982 ( 14.792 -2.632 0.230) 15.026 21.531 ( -10.183 -4.477 -4.694) 12.073 21.822 ( 1.080 -4.900 1.367) 5.200 21.898 ( -0.042 -6.723 0.973) 6.793 22.014 ( -0.633 -26.770 -0.090) 26.778 22.092 ( -10.009 1.804 5.979) 11.798 22.212 ( -3.281 -0.129 -2.297) 4.008 22.480 ( 0.737 -7.370 5.412) 9.174 22.520 ( 3.256 -5.582 -2.225) 6.834 22.753 ( 3.932 3.955 -3.402) 6.533 22.842 ( 0.469 1.485 -1.116) 1.916 22.893 ( 2.505 -0.446 2.513) 3.576 23.024 ( -3.372 -1.371 -0.931) 3.757 23.624 ( 2.805 2.111 0.351) 3.528 23.665 ( 0.928 -0.851 4.567) 4.738 23.725 ( -2.046 4.317 -2.443) 5.366 23.800 ( -7.090 1.757 1.009) 7.374 23.971 ( 0.175 9.904 0.639) 9.926 24.045 ( -4.325 16.616 -2.070) 17.294 24.579 ( 4.881 -2.006 0.439) 5.296 24.692 ( -4.640 -7.605 -0.296) 8.914 24.923 ( -1.367 3.507 -3.463) 5.115 25.518 ( -0.182 -9.255 0.574) 9.274 26.371 ( 3.543 -0.355 0.548) 3.603 26.391 ( 2.212 0.050 -0.394) 2.248 26.794 ( 0.752 0.356 1.954) 2.123 26.799 ( 0.821 0.184 -2.015) 2.184 28.449 ( 1.030 0.238 -1.508) 1.841 28.456 ( 0.365 0.090 1.328) 1.380 28.923 ( 6.973 -0.660 1.731) 7.215 29.043 ( 1.000 -1.022 -0.400) 1.485 29.173 ( -4.160 6.575 -0.375) 7.790 29.276 ( -2.721 1.305 -0.479) 3.055 29.609 ( -0.586 0.726 -0.336) 0.992 29.905 ( -0.832 -5.903 1.818) 6.233 30.029 ( -1.404 3.889 0.132) 4.137 30.153 ( 1.199 2.170 -2.951) 3.854 30.278 ( -3.399 1.410 2.016) 4.196 30.456 ( -2.308 -3.655 0.365) 4.338 31.102 ( -1.526 2.233 1.015) 2.889 31.454 ( 2.297 -7.027 -0.458) 7.407 31.764 ( 1.939 3.664 0.368) 4.162 32.202 ( 1.907 -9.809 -0.976) 10.040 32.739 ( 1.078 10.022 -1.212) 10.152 33.199 ( 1.456 -3.628 0.379) 3.927 34.444 ( 0.011 4.761 0.319) 4.771 34.793 ( 0.090 -3.862 -0.452) 3.889 49.730 ( 3.329 1.237 -0.412) 3.575 49.863 ( -5.888 0.232 2.389) 6.359 ======================= Grid point 41 (40/105) ======================= q-point: ( 0.13 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -28.807 92.767 -16.537) 98.534 3.811 ( -51.252 -6.811 4.447) 51.894 4.105 ( -61.939 -1.596 -24.093) 66.480 6.270 ( -81.753 2.542 -33.270) 88.300 6.581 ( -10.683 4.751 -10.767) 15.894 6.986 ( -6.116 0.531 0.032) 6.139 7.120 ( -7.745 -6.903 -15.745) 18.856 7.538 ( 7.281 4.123 -0.042) 8.368 7.898 ( 10.958 8.323 -11.654) 18.032 9.753 ( 5.335 -19.803 6.295) 21.453 9.882 ( -7.417 -14.534 29.762) 33.941 10.649 ( -7.512 6.643 8.796) 13.339 10.877 ( 2.849 -10.820 -8.813) 14.243 11.358 ( 7.961 6.436 -7.778) 12.857 12.107 ( 32.416 -4.709 7.764) 33.664 12.342 ( -4.975 17.206 -5.986) 18.885 12.518 ( 8.625 5.089 -2.737) 10.382 12.670 ( -2.883 15.049 6.512) 16.649 13.284 ( -21.400 -2.811 9.326) 23.512 13.393 ( -15.036 -11.997 0.929) 19.258 13.897 ( -18.169 0.773 -4.955) 18.849 14.364 ( 0.892 -36.089 12.784) 38.297 14.703 ( -1.163 -4.100 9.892) 10.771 14.909 ( -2.108 -7.226 5.905) 9.567 15.826 ( -4.386 -18.430 14.133) 23.636 16.236 ( 4.496 4.381 3.410) 7.144 16.607 ( -0.227 7.297 8.768) 11.410 16.704 ( 4.618 9.707 -4.768) 11.759 16.895 ( -11.234 11.404 5.223) 16.839 17.124 ( -6.186 9.559 1.437) 11.477 17.210 ( 3.144 -11.140 5.182) 12.682 17.484 ( -8.297 12.524 7.628) 16.848 17.558 ( 5.606 6.410 -4.203) 9.496 17.695 ( 3.272 -3.210 -8.224) 9.416 18.024 ( -1.104 11.400 -9.494) 14.876 18.121 ( 12.425 23.173 -7.287) 27.285 18.504 ( -9.655 -15.552 4.317) 18.808 18.712 ( -11.792 -2.140 3.474) 12.478 19.137 ( -5.943 4.103 -7.902) 10.705 19.248 ( 9.516 -4.108 -5.182) 11.588 19.354 ( 4.604 -6.650 8.488) 11.725 19.456 ( 9.385 -1.326 -8.629) 12.818 19.749 ( 3.096 -2.121 -2.921) 4.756 20.091 ( 9.131 11.947 -5.262) 15.931 20.531 ( -1.362 -1.376 -14.169) 14.301 20.688 ( 4.174 2.741 -0.571) 5.026 20.803 ( 11.613 -3.600 13.341) 18.051 21.236 ( 9.391 9.393 3.478) 13.730 21.479 ( 3.196 -27.555 -8.719) 29.078 21.643 ( -1.852 -7.376 -1.211) 7.700 21.814 ( 1.063 -6.115 -7.000) 9.356 21.873 ( 0.304 -3.485 -3.565) 4.995 21.962 ( 4.720 -4.158 -15.362) 16.600 22.324 ( 4.090 3.601 2.531) 6.008 22.423 ( 0.919 0.182 2.245) 2.433 22.565 ( 3.819 5.405 2.512) 7.078 22.764 ( 0.137 5.065 1.451) 5.270 22.930 ( -5.189 -2.725 5.624) 8.123 22.990 ( 3.063 1.904 2.168) 4.208 23.357 ( -6.637 1.515 4.692) 8.268 23.597 ( 1.073 -1.209 3.221) 3.604 23.692 ( 10.011 -3.442 -5.700) 12.023 23.804 ( -4.342 7.467 -4.235) 9.620 23.894 ( -0.877 -4.325 1.294) 4.599 24.212 ( -1.230 12.381 2.230) 12.641 24.438 ( 16.112 -0.649 6.581) 17.416 24.674 ( 18.096 0.491 6.677) 19.294 24.951 ( 5.317 -3.454 -2.575) 6.844 25.245 ( 6.599 -0.836 1.126) 6.746 25.665 ( 5.004 -8.031 5.044) 10.723 26.130 ( -7.049 -1.328 4.425) 8.428 26.319 ( -5.154 0.963 5.724) 7.763 26.368 ( -5.623 -0.508 -7.843) 9.664 26.755 ( -1.935 0.784 -6.660) 6.980 28.195 ( -4.000 1.339 -3.778) 5.663 28.512 ( -8.283 1.853 -0.890) 8.535 28.631 ( -4.977 -5.390 7.614) 10.574 28.858 ( -5.216 2.123 -1.301) 5.780 29.439 ( -0.009 7.649 -1.557) 7.805 29.546 ( 4.215 1.095 1.239) 4.527 29.631 ( 3.275 1.465 -2.762) 4.527 29.701 ( 1.557 -0.179 -0.797) 1.759 29.954 ( 1.287 -0.578 -0.970) 1.712 30.164 ( 0.694 3.037 -1.865) 3.631 30.605 ( 10.022 -1.685 1.627) 10.292 30.711 ( 7.433 -3.182 0.612) 8.109 31.102 ( 3.756 0.095 -4.583) 5.926 31.347 ( -3.529 -0.070 1.357) 3.782 31.497 ( -8.708 3.604 -1.350) 9.521 32.140 ( -5.666 -7.538 2.735) 9.819 32.848 ( -0.112 3.417 3.486) 4.883 32.964 ( -9.808 -8.086 0.773) 12.735 34.418 ( -0.201 4.143 -0.142) 4.150 34.853 ( 0.426 -4.101 0.980) 4.237 49.642 ( -0.262 1.455 -0.371) 1.525 49.993 ( 8.584 16.656 -0.060) 18.737 ======================= Grid point 43 (41/105) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.033 ( -35.235 -7.010 -0.000) 35.926 5.762 ( 24.081 6.972 0.000) 25.070 6.096 ( 9.009 -38.866 -0.000) 39.896 6.759 ( 2.732 33.161 0.000) 33.274 6.872 ( -32.293 -14.426 -0.000) 35.368 7.211 ( -2.143 -1.822 -0.000) 2.813 7.425 ( 8.773 5.293 0.000) 10.246 7.573 ( -1.939 33.373 0.000) 33.429 8.758 ( -15.134 -1.519 -0.000) 15.210 9.305 ( 29.881 -0.348 -0.000) 29.883 9.628 ( -6.612 2.224 0.000) 6.976 9.771 ( -1.390 6.939 0.000) 7.077 11.353 ( -32.599 15.198 0.000) 35.968 11.472 ( -2.928 -14.417 -0.000) 14.712 12.239 ( 18.540 -35.943 -0.000) 40.443 12.271 ( -13.892 3.869 0.000) 14.421 12.581 ( 15.607 -6.751 -0.000) 17.004 12.646 ( -9.187 11.293 0.000) 14.558 13.609 ( -18.457 -19.115 -0.000) 26.571 13.953 ( -3.308 -7.051 -0.000) 7.788 14.104 ( 6.308 -9.086 -0.000) 11.061 14.205 ( -1.198 22.835 0.000) 22.867 14.740 ( -12.278 8.666 0.000) 15.028 14.861 ( 10.090 23.680 0.000) 25.740 15.328 ( -15.351 -17.782 -0.000) 23.492 16.066 ( 13.477 21.309 0.000) 25.214 16.343 ( 13.246 -7.875 -0.000) 15.410 16.655 ( 4.135 25.736 0.000) 26.066 17.065 ( -3.972 -2.024 -0.000) 4.458 17.180 ( 7.309 -4.011 -0.000) 8.337 17.556 ( 4.743 -15.643 -0.000) 16.346 17.699 ( 1.033 -2.920 -0.000) 3.097 18.072 ( -10.280 -5.620 -0.000) 11.716 18.090 ( 8.312 -7.666 -0.000) 11.307 18.256 ( 0.118 1.999 0.000) 2.002 18.363 ( -11.160 13.567 0.000) 17.567 18.542 ( 8.520 -17.620 -0.000) 19.571 18.728 ( -9.746 6.172 0.000) 11.536 18.936 ( -9.070 4.618 0.000) 10.178 19.064 ( 5.369 14.030 0.000) 15.022 19.317 ( -6.782 -2.000 -0.000) 7.071 19.446 ( 3.080 -51.646 -0.000) 51.738 19.565 ( 11.324 -4.218 -0.000) 12.084 20.021 ( -21.499 -1.773 -0.000) 21.572 20.031 ( -2.366 14.263 0.000) 14.458 20.229 ( 2.911 -5.597 -0.000) 6.308 20.370 ( 7.359 -2.333 -0.000) 7.720 20.736 ( 5.611 32.405 0.000) 32.887 21.211 ( 0.737 -15.515 -0.000) 15.533 21.515 ( 1.339 11.846 0.000) 11.921 21.718 ( 6.700 -3.542 -0.000) 7.579 21.797 ( -2.800 6.352 0.000) 6.942 22.155 ( -5.108 7.381 0.000) 8.977 22.175 ( 6.095 -2.061 -0.000) 6.434 22.500 ( -1.561 0.292 0.000) 1.588 22.544 ( 2.619 1.025 0.000) 2.813 22.904 ( 4.308 1.441 0.000) 4.543 22.923 ( 3.862 0.385 0.000) 3.881 22.964 ( -2.240 3.293 0.000) 3.983 22.978 ( 7.808 -5.235 -0.000) 9.401 23.579 ( -3.612 -0.333 -0.000) 3.627 23.720 ( 9.648 1.010 0.000) 9.701 23.935 ( -2.904 2.142 0.000) 3.608 23.979 ( 6.748 -2.686 -0.000) 7.263 24.141 ( -8.756 2.081 0.000) 9.000 24.284 ( 10.565 -3.463 -0.000) 11.118 24.329 ( -3.761 -11.743 -0.000) 12.331 24.540 ( -4.053 9.115 0.000) 9.975 25.012 ( 3.565 -17.253 -0.000) 17.617 25.299 ( 0.104 14.558 0.000) 14.558 26.395 ( -5.938 -1.117 -0.000) 6.042 26.478 ( 1.892 0.133 0.000) 1.896 26.646 ( -5.978 -0.701 -0.000) 6.019 26.735 ( 1.839 0.316 0.000) 1.866 28.453 ( -4.558 3.016 0.000) 5.465 28.493 ( 5.095 -2.858 -0.000) 5.842 28.978 ( -5.944 2.655 0.000) 6.510 29.000 ( -1.780 0.278 0.000) 1.802 29.424 ( -0.859 -3.096 -0.000) 3.213 29.435 ( -0.539 -4.055 -0.000) 4.091 29.554 ( 2.547 0.279 0.000) 2.562 29.680 ( 9.103 6.967 0.000) 11.463 29.925 ( -6.754 -5.551 -0.000) 8.742 30.113 ( 7.111 0.394 -0.000) 7.122 30.396 ( 1.602 -3.522 -0.000) 3.869 30.476 ( 1.184 5.510 0.000) 5.636 31.221 ( 4.478 -4.837 -0.000) 6.592 31.272 ( -4.333 8.535 0.000) 9.571 31.906 ( 0.685 -7.949 -0.000) 7.978 32.004 ( -5.272 8.743 0.000) 10.209 32.876 ( -5.033 -10.251 -0.000) 11.420 33.102 ( 0.958 7.479 0.000) 7.540 34.586 ( 1.277 -7.691 -0.000) 7.796 34.699 ( -1.617 6.715 0.000) 6.907 49.752 ( -4.266 -1.421 -0.000) 4.496 49.943 ( 11.100 3.111 0.000) 11.528 ======================= Grid point 44 (42/105) ======================= q-point: ( 0.52 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -32.544 -2.104 0.273) 32.613 4.776 ( -20.434 12.531 73.792) 77.588 5.540 ( -9.031 -20.115 -16.758) 27.695 6.067 ( -40.520 13.150 58.068) 72.019 6.661 ( 0.547 3.176 -8.540) 9.128 6.831 ( -2.285 3.720 -2.136) 4.860 7.525 ( -10.981 -5.343 -36.618) 38.601 7.799 ( 9.822 20.584 -7.358) 23.965 8.233 ( -4.329 -8.218 11.383) 14.692 8.321 ( -17.901 29.750 5.726) 35.190 8.857 ( -5.172 -7.361 3.620) 9.697 11.108 ( 10.662 -5.180 -22.576) 25.499 11.376 ( 13.551 -4.264 -16.672) 21.904 11.566 ( 17.082 7.758 -4.642) 19.327 11.968 ( 3.550 11.536 14.384) 18.777 12.107 ( -6.552 -18.904 -7.080) 21.223 12.472 ( -3.129 -15.529 -8.090) 17.787 12.509 ( -11.240 -7.590 1.477) 13.643 12.797 ( 5.824 -12.867 12.435) 18.818 13.010 ( -10.918 12.543 7.645) 18.303 13.393 ( -15.635 25.475 -4.802) 30.273 13.726 ( -16.582 -1.382 -3.883) 17.087 14.181 ( -2.994 3.330 -28.822) 29.167 14.805 ( -2.713 14.239 -7.908) 16.512 15.237 ( 2.066 -20.882 1.935) 21.073 15.739 ( -10.243 -29.036 -4.470) 31.113 16.621 ( 4.124 -5.510 -1.201) 6.986 16.887 ( 5.611 9.969 0.769) 11.466 16.968 ( -4.275 0.509 6.996) 8.214 17.124 ( -2.560 11.132 -10.046) 15.211 17.364 ( -5.916 -4.663 0.744) 7.569 17.487 ( 9.265 7.947 -11.127) 16.517 17.794 ( -4.015 -3.694 0.943) 5.537 18.092 ( 9.370 7.476 3.250) 12.420 18.250 ( 3.504 -9.322 -0.457) 9.970 18.401 ( 2.050 12.420 5.137) 13.596 18.587 ( -4.942 6.833 -1.758) 8.614 18.802 ( 9.881 6.299 1.723) 11.844 19.022 ( -7.408 7.358 7.140) 12.649 19.196 ( -9.738 -7.463 11.738) 16.980 19.549 ( 0.989 -52.775 0.695) 52.789 19.653 ( 11.047 6.065 -3.025) 12.960 19.926 ( 0.105 -1.023 5.857) 5.946 20.215 ( 3.693 -0.605 3.177) 4.909 20.432 ( 4.042 -9.583 -7.631) 12.899 20.750 ( -0.391 26.626 -1.440) 26.668 20.901 ( 12.183 3.866 5.771) 14.024 21.255 ( 4.016 -8.536 10.694) 14.260 21.343 ( -1.329 17.397 1.788) 17.539 21.593 ( -2.153 -6.430 14.248) 15.779 21.941 ( 0.891 0.448 6.795) 6.868 22.018 ( 5.537 0.889 1.917) 5.926 22.077 ( -2.288 -0.161 0.949) 2.482 22.305 ( 0.231 -1.816 0.436) 1.882 22.485 ( 6.960 2.575 -8.411) 11.217 22.649 ( 0.188 -2.607 6.805) 7.289 22.734 ( -0.012 -1.712 -4.880) 5.172 23.136 ( 2.779 5.088 -0.613) 5.830 23.229 ( 10.043 5.298 6.049) 12.866 23.407 ( -0.098 -2.810 -0.326) 2.831 23.493 ( -3.421 2.430 10.808) 11.594 23.632 ( -1.313 -5.966 -1.579) 6.310 23.782 ( 9.012 -2.465 -2.967) 9.803 24.031 ( -2.506 -4.458 -1.716) 5.395 24.043 ( -10.144 3.815 2.919) 11.224 24.508 ( 5.667 0.421 -14.574) 15.643 24.686 ( 2.710 -2.881 -15.913) 16.397 25.064 ( 4.195 -1.206 -7.193) 8.414 25.220 ( 7.900 -8.941 -3.563) 12.451 25.357 ( -0.192 8.360 2.777) 8.812 25.840 ( -7.765 -0.586 -0.876) 7.836 26.123 ( -6.660 0.076 -3.907) 7.722 26.582 ( 3.638 -2.633 13.853) 14.562 26.906 ( 2.492 2.111 2.124) 3.896 28.224 ( -3.977 2.578 -0.490) 4.765 28.269 ( -6.010 -0.724 -2.135) 6.419 28.558 ( -1.850 3.822 -2.447) 4.900 28.904 ( -1.376 0.546 2.074) 2.548 29.505 ( 1.369 -9.701 4.528) 10.793 29.561 ( 3.766 -0.204 -1.430) 4.033 29.717 ( 1.698 0.122 -0.632) 1.816 29.881 ( -2.873 -5.681 7.264) 9.659 30.070 ( 2.175 10.510 -8.177) 13.492 30.296 ( -1.172 6.101 -4.988) 7.967 30.606 ( 5.351 -0.627 1.834) 5.692 30.739 ( 5.956 -0.398 -0.528) 5.992 31.260 ( 3.403 -1.361 2.199) 4.274 31.437 ( 4.583 2.252 0.731) 5.159 31.571 ( -7.313 -2.093 -0.587) 7.629 31.636 ( -5.482 1.229 0.936) 5.695 32.492 ( -6.952 -5.483 6.823) 11.177 32.921 ( -3.834 3.355 -5.509) 7.504 34.567 ( -0.386 -1.802 -1.337) 2.277 34.681 ( 0.454 1.459 0.571) 1.631 49.678 ( 0.190 -1.342 0.836) 1.593 50.541 ( 8.298 4.647 -10.682) 14.302 ======================= Grid point 45 (43/105) ======================= q-point: (-0.48 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 43.048 5.363 4.697) 43.634 5.089 ( 15.474 -73.767 -11.589) 76.258 5.209 ( 41.711 -10.938 -59.169) 73.215 6.408 ( 8.573 10.434 -1.412) 13.578 6.813 ( -2.367 0.364 -0.487) 2.444 7.004 ( 2.597 -1.361 1.485) 3.287 7.363 ( -7.940 4.159 -0.683) 8.989 8.026 ( 12.174 -0.620 -17.904) 21.659 8.239 ( 28.564 3.404 1.403) 28.800 8.793 ( 39.011 -2.023 7.341) 39.747 9.328 ( 10.210 21.299 -3.165) 23.831 10.627 ( -21.385 -5.582 -0.520) 22.107 10.970 ( -15.253 7.303 -6.909) 18.268 11.611 ( -10.923 -8.867 -4.931) 14.909 11.647 ( -24.566 12.340 18.410) 33.086 12.392 ( 14.291 8.227 34.161) 37.932 12.823 ( 9.223 -6.100 -10.087) 14.968 12.926 ( 15.876 -25.808 -4.937) 30.700 13.003 ( 4.247 -7.224 12.095) 14.714 13.139 ( 15.244 24.572 -4.757) 29.305 13.446 ( 6.500 9.155 4.407) 12.061 13.947 ( 16.964 11.938 -2.016) 20.842 14.336 ( 18.402 0.990 16.526) 24.753 14.936 ( 13.529 -2.049 -1.812) 13.803 15.321 ( -5.236 5.166 9.333) 11.883 16.156 ( 4.558 -0.648 11.092) 12.010 16.573 ( -9.571 -3.181 3.528) 10.685 16.813 ( 1.430 9.420 -5.659) 11.082 16.860 ( -4.339 -2.162 5.266) 7.158 17.130 ( 7.144 -3.325 4.559) 9.103 17.296 ( 1.541 -16.047 -5.511) 17.037 17.404 ( 4.034 -1.006 2.811) 5.018 17.868 ( -4.678 -5.114 -5.952) 9.136 17.972 ( 0.499 -9.723 -4.961) 10.927 18.079 ( -0.176 14.252 -1.628) 14.345 18.297 ( -3.816 -6.580 0.917) 7.661 18.505 ( -5.564 1.747 -0.535) 5.856 18.717 ( -4.721 5.661 5.329) 9.096 19.050 ( -14.269 3.856 2.438) 14.980 19.109 ( -7.167 -4.626 -6.422) 10.678 19.494 ( 4.339 -3.407 -13.854) 14.912 19.863 ( 0.663 -19.445 -1.719) 19.532 20.017 ( 7.035 -5.534 -5.454) 10.481 20.138 ( -12.324 -3.354 3.185) 13.163 20.379 ( -15.430 12.096 10.786) 22.377 20.617 ( 2.401 12.133 -1.979) 12.526 20.672 ( -7.008 9.697 -2.278) 12.179 21.186 ( -3.687 4.471 -8.897) 10.618 21.343 ( 0.717 0.640 -1.342) 1.651 21.654 ( -6.767 6.517 -5.531) 10.902 21.886 ( -0.113 0.334 -7.316) 7.325 21.924 ( -2.696 1.227 -3.582) 4.648 22.129 ( 4.220 0.274 -0.774) 4.299 22.323 ( -1.949 -1.592 4.245) 4.935 22.377 ( -2.708 2.582 -3.346) 5.019 22.643 ( -7.901 1.762 -8.135) 11.476 22.754 ( 5.422 -3.489 5.694) 8.602 22.904 ( -7.817 -3.440 -2.295) 8.843 23.022 ( -3.365 -5.230 1.497) 6.397 23.291 ( -13.709 0.903 7.530) 15.667 23.478 ( 5.080 -2.514 1.016) 5.758 23.662 ( -4.501 2.718 1.573) 5.488 23.851 ( 1.594 2.900 -3.087) 4.525 24.103 ( 3.549 -8.355 -5.324) 10.524 24.172 ( 0.719 6.925 7.015) 9.883 24.312 ( -4.615 -4.031 4.197) 7.427 24.623 ( -5.860 -3.281 5.108) 8.438 24.910 ( -10.651 1.052 0.611) 10.720 25.169 ( -0.274 -1.947 8.576) 8.798 25.374 ( -4.330 10.678 1.290) 11.595 26.035 ( 9.671 1.050 1.699) 9.875 26.259 ( 6.264 -0.862 2.013) 6.635 26.564 ( 0.185 0.870 -11.089) 11.125 26.847 ( -0.416 -0.895 0.084) 0.990 28.292 ( 5.180 -0.848 -2.703) 5.904 28.424 ( 5.505 2.156 4.674) 7.536 28.568 ( 5.748 -2.124 -0.320) 6.136 28.927 ( 2.931 -1.367 -1.463) 3.549 29.469 ( -4.791 -0.807 2.752) 5.584 29.564 ( -3.811 0.070 0.188) 3.816 29.713 ( -0.886 3.862 -4.795) 6.221 29.774 ( -4.002 -9.465 1.721) 10.420 30.030 ( 1.974 0.692 -5.990) 6.344 30.227 ( 2.078 -4.817 3.256) 6.174 30.515 ( -9.240 4.769 -0.396) 10.406 30.626 ( -7.365 1.958 2.338) 7.971 31.199 ( -2.656 -0.509 -3.409) 4.351 31.323 ( -2.814 -0.244 0.963) 2.984 31.622 ( 8.065 -6.430 -2.013) 10.509 31.903 ( 6.255 9.778 3.505) 12.125 32.780 ( 8.458 4.241 -0.245) 9.465 32.925 ( 4.424 -2.586 1.108) 5.242 34.525 ( 0.744 -5.919 -0.636) 6.000 34.728 ( -0.557 5.908 1.501) 6.121 49.679 ( -0.075 -0.739 -0.747) 1.053 50.208 ( -10.430 -8.707 2.435) 13.803 ======================= Grid point 46 (44/105) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( -28.519 -0.000 -30.016) 41.404 4.296 ( -41.163 -0.000 6.594) 41.687 6.331 ( 25.169 0.000 -7.388) 26.231 6.749 ( -12.290 -0.000 4.605) 13.125 6.779 ( -8.701 0.000 -14.549) 16.952 7.368 ( 1.023 -0.000 9.163) 9.220 7.402 ( -18.691 0.000 -27.569) 33.307 7.765 ( 3.958 0.000 -5.108) 6.462 8.608 ( -20.994 -0.000 26.615) 33.898 9.820 ( -3.580 -0.000 -1.533) 3.894 10.438 ( 44.812 0.000 17.583) 48.138 10.704 ( 2.325 0.000 -6.939) 7.318 10.882 ( -20.392 -0.000 2.419) 20.535 11.236 ( -14.107 0.000 -28.886) 32.147 11.297 ( -24.907 -0.000 38.779) 46.089 11.580 ( 25.250 0.000 -27.017) 36.980 12.164 ( -5.171 -0.000 -4.916) 7.135 13.032 ( -7.562 -0.000 -7.167) 10.419 13.214 ( -49.148 -0.000 31.410) 58.328 13.477 ( 4.395 0.000 -3.128) 5.394 14.386 ( -18.746 -0.000 3.710) 19.110 14.507 ( -11.050 -0.000 -7.515) 13.363 15.139 ( -0.562 -0.000 13.697) 13.709 15.268 ( -11.872 -0.000 13.226) 17.773 15.448 ( -33.990 -0.000 -16.230) 37.666 16.051 ( -17.273 -0.000 5.960) 18.272 16.173 ( -0.103 0.000 -4.020) 4.021 16.519 ( 4.955 0.000 -2.471) 5.537 16.673 ( 15.069 0.000 3.600) 15.493 17.025 ( -2.948 0.000 -3.484) 4.563 17.278 ( 1.294 0.000 -5.375) 5.529 17.446 ( 6.564 0.000 6.742) 9.409 17.565 ( 21.200 0.000 -17.025) 27.190 17.768 ( 5.274 0.000 -4.613) 7.007 18.077 ( 1.907 0.000 -8.052) 8.274 18.235 ( 0.362 -0.000 23.404) 23.407 18.543 ( 7.252 0.000 1.396) 7.385 18.777 ( -2.232 0.000 -16.442) 16.593 18.850 ( 19.229 0.000 9.856) 21.608 18.905 ( -10.206 -0.000 8.791) 13.470 19.383 ( 28.676 0.000 -18.510) 34.131 19.562 ( 10.314 0.000 -2.359) 10.580 19.752 ( 13.002 0.000 12.238) 17.856 20.015 ( 3.745 -0.000 7.890) 8.734 20.302 ( -5.081 -0.000 -0.693) 5.128 20.573 ( -22.917 -0.000 -2.232) 23.026 20.709 ( 1.425 -0.000 3.868) 4.122 20.842 ( 17.548 0.000 5.611) 18.423 21.749 ( 7.790 0.000 5.797) 9.710 21.870 ( 0.940 0.000 -2.582) 2.748 21.938 ( -0.972 -0.000 -1.029) 1.415 22.226 ( -2.220 -0.000 -1.410) 2.630 22.270 ( 4.289 -0.000 6.048) 7.414 22.354 ( 2.263 0.000 -4.496) 5.034 22.482 ( -7.092 -0.000 1.186) 7.190 22.639 ( 13.703 0.000 -9.553) 16.704 22.750 ( 3.875 0.000 -4.599) 6.014 22.755 ( -5.133 -0.000 4.184) 6.623 22.830 ( -1.645 0.000 -5.022) 5.285 23.238 ( 8.731 0.000 3.864) 9.548 23.333 ( -8.871 -0.000 -3.157) 9.416 23.661 ( -0.610 0.000 -2.798) 2.864 23.713 ( 4.435 0.000 3.071) 5.394 23.871 ( 6.786 0.000 -3.276) 7.535 23.981 ( 0.604 -0.000 3.430) 3.483 24.125 ( 13.516 0.000 1.558) 13.606 24.486 ( -2.969 -0.000 -2.519) 3.893 24.881 ( 5.701 0.000 2.855) 6.376 24.915 ( 0.340 -0.000 6.796) 6.804 25.604 ( -0.308 0.000 -0.466) 0.559 26.274 ( -7.911 -0.000 3.617) 8.699 26.276 ( -6.793 -0.000 -3.491) 7.638 26.773 ( -1.561 -0.000 5.568) 5.782 26.774 ( -0.420 0.000 -5.778) 5.793 28.412 ( -2.506 -0.000 2.568) 3.588 28.439 ( -1.574 -0.000 -1.684) 2.305 28.775 ( -8.262 -0.000 -2.989) 8.786 28.975 ( -4.465 -0.000 -3.784) 5.852 29.212 ( 4.970 0.000 4.261) 6.547 29.344 ( 4.953 0.000 0.300) 4.962 29.628 ( 1.712 0.000 0.405) 1.759 29.996 ( 1.301 0.000 -5.363) 5.518 30.021 ( 0.783 -0.000 1.131) 1.375 30.112 ( 0.733 -0.000 2.108) 2.232 30.371 ( 7.453 0.000 -0.763) 7.492 30.586 ( 6.684 0.000 -1.382) 6.825 31.156 ( 5.755 0.000 -2.666) 6.343 31.424 ( -6.824 -0.000 1.146) 6.919 31.654 ( -5.592 -0.000 -0.838) 5.654 32.230 ( -6.740 -0.000 2.453) 7.172 32.603 ( -1.163 -0.000 4.330) 4.483 33.173 ( -4.686 -0.000 -0.983) 4.788 34.400 ( 0.185 0.000 -0.958) 0.976 34.827 ( -0.158 -0.000 1.399) 1.408 49.660 ( -2.387 -0.000 -0.632) 2.469 50.002 ( 8.388 0.000 -6.680) 10.723 ======================= Grid point 47 (45/105) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.000 0.000 -47.949) 47.949 1.863 ( -0.000 0.000 -75.097) 75.097 2.507 ( -0.000 0.000 -17.620) 17.620 2.885 ( -0.000 0.000 -136.415) 136.415 6.439 ( -0.000 0.000 -2.094) 2.094 6.835 ( 0.000 -0.000 0.120) 0.120 7.595 ( -0.000 0.000 -5.384) 5.384 7.806 ( -0.000 0.000 -0.806) 0.806 8.307 ( 0.000 -0.000 10.276) 10.276 9.488 ( 0.000 -0.000 60.417) 60.417 10.161 ( 0.000 -0.000 6.349) 6.349 10.456 ( -0.000 0.000 -5.675) 5.675 10.877 ( -0.000 0.000 -20.164) 20.164 11.768 ( -0.000 0.000 -2.375) 2.375 11.826 ( -0.000 0.000 -40.292) 40.292 12.052 ( 0.000 -0.000 3.161) 3.161 12.495 ( -0.000 0.000 -7.773) 7.773 12.924 ( 0.000 -0.000 34.172) 34.172 13.251 ( -0.000 0.000 -2.450) 2.450 13.300 ( -0.000 0.000 -4.474) 4.474 13.791 ( 0.000 -0.000 0.362) 0.362 14.656 ( 0.000 -0.000 13.891) 13.891 14.829 ( 0.000 -0.000 32.314) 32.314 15.288 ( 0.000 -0.000 41.864) 41.864 15.407 ( 0.000 -0.000 17.936) 17.936 16.060 ( 0.000 -0.000 13.337) 13.337 16.623 ( -0.000 0.000 -11.191) 11.191 16.707 ( 0.000 -0.000 7.979) 7.979 16.728 ( 0.000 -0.000 5.438) 5.438 16.825 ( 0.000 -0.000 2.647) 2.647 17.397 ( -0.000 0.000 -9.654) 9.654 17.416 ( -0.000 0.000 -9.930) 9.930 17.500 ( -0.000 0.000 -19.685) 19.685 17.559 ( 0.000 -0.000 10.914) 10.914 18.047 ( -0.000 0.000 -7.716) 7.716 18.089 ( -0.000 0.000 -6.307) 6.307 18.325 ( 0.000 -0.000 1.186) 1.186 18.371 ( -0.000 0.000 -16.594) 16.594 18.864 ( -0.000 0.000 -6.068) 6.068 19.366 ( -0.000 0.000 -18.929) 18.929 19.402 ( 0.000 -0.000 11.864) 11.864 19.815 ( -0.000 0.000 -31.994) 31.994 19.917 ( 0.000 -0.000 2.789) 2.789 20.000 ( -0.000 0.000 -4.364) 4.364 20.702 ( 0.000 -0.000 21.954) 21.954 20.961 ( 0.000 -0.000 14.422) 14.422 21.043 ( 0.000 -0.000 7.932) 7.932 21.491 ( -0.000 0.000 -5.575) 5.575 21.609 ( -0.000 0.000 -8.796) 8.796 21.769 ( -0.000 0.000 -15.704) 15.704 21.867 ( -0.000 0.000 -8.797) 8.797 22.077 ( 0.000 -0.000 4.703) 4.703 22.279 ( 0.000 -0.000 7.266) 7.266 22.383 ( -0.000 0.000 -4.131) 4.131 22.446 ( 0.000 -0.000 3.776) 3.776 22.535 ( 0.000 -0.000 9.673) 9.673 22.731 ( -0.000 0.000 -6.028) 6.028 22.874 ( -0.000 0.000 -4.913) 4.913 23.002 ( -0.000 0.000 -24.618) 24.618 23.158 ( 0.000 -0.000 5.676) 5.676 23.429 ( -0.000 0.000 -7.957) 7.957 23.502 ( 0.000 -0.000 0.395) 0.395 23.636 ( 0.000 -0.000 2.603) 2.603 24.107 ( 0.000 -0.000 5.117) 5.117 24.346 ( 0.000 -0.000 0.803) 0.803 24.904 ( 0.000 -0.000 10.947) 10.947 25.006 ( 0.000 -0.000 24.781) 24.781 25.041 ( -0.000 0.000 -4.381) 4.381 25.479 ( 0.000 -0.000 13.370) 13.370 25.877 ( 0.000 -0.000 1.194) 1.194 25.926 ( 0.000 -0.000 3.749) 3.749 26.105 ( 0.000 -0.000 12.553) 12.553 26.428 ( -0.000 0.000 -20.543) 20.543 26.692 ( -0.000 0.000 -9.419) 9.419 28.037 ( 0.000 -0.000 1.545) 1.545 28.273 ( -0.000 0.000 -6.610) 6.610 28.643 ( -0.000 0.000 -1.464) 1.464 28.663 ( 0.000 -0.000 8.883) 8.883 29.290 ( -0.000 0.000 -9.116) 9.116 29.654 ( 0.000 -0.000 1.761) 1.761 29.699 ( -0.000 0.000 -1.435) 1.435 29.737 ( 0.000 -0.000 0.605) 0.605 30.013 ( 0.000 -0.000 0.093) 0.093 30.146 ( 0.000 -0.000 0.173) 0.173 31.018 ( -0.000 0.000 -2.987) 2.987 31.025 ( 0.000 -0.000 3.448) 3.448 31.076 ( 0.000 -0.000 4.617) 4.617 31.249 ( -0.000 0.000 -0.326) 0.326 31.510 ( -0.000 0.000 -4.682) 4.682 32.039 ( 0.000 -0.000 4.959) 4.959 32.403 ( -0.000 0.000 -6.833) 6.833 32.824 ( 0.000 -0.000 4.343) 4.343 34.386 ( -0.000 0.000 -0.093) 0.093 34.901 ( 0.000 -0.000 0.986) 0.986 49.604 ( 0.000 -0.000 1.752) 1.752 49.863 ( -0.000 0.000 -8.298) 8.298 ======================= Grid point 48 (46/105) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 54.939 0.000 20.278) 58.562 4.692 ( 33.522 0.000 -10.634) 35.168 5.331 ( 51.074 0.000 15.859) 53.480 6.628 ( -5.045 0.000 -6.383) 8.136 6.680 ( 9.531 0.000 1.979) 9.735 7.146 ( 10.381 0.000 -0.735) 10.407 7.352 ( -6.647 -0.000 3.252) 7.399 7.621 ( -4.494 -0.000 4.289) 6.212 8.722 ( 99.517 0.000 50.165) 111.446 9.694 ( -8.180 -0.000 7.458) 11.070 10.296 ( -10.905 0.000 -28.264) 30.295 10.679 ( -23.778 -0.000 11.045) 26.219 10.740 ( 8.838 0.000 -7.502) 11.593 11.295 ( 12.752 0.000 2.783) 13.052 11.344 ( -43.241 -0.000 -20.727) 47.952 12.012 ( -10.593 -0.000 1.769) 10.740 12.228 ( -1.599 0.000 -19.240) 19.306 12.657 ( 2.959 -0.000 4.866) 5.695 13.588 ( 2.559 0.000 -2.438) 3.535 14.021 ( 10.166 -0.000 23.503) 25.607 14.161 ( 43.412 0.000 -0.181) 43.412 14.751 ( -1.481 0.000 -10.290) 10.396 14.879 ( -7.846 -0.000 -2.911) 8.369 15.365 ( 32.242 0.000 9.169) 33.520 15.843 ( -7.755 0.000 -14.869) 16.770 16.407 ( -4.590 0.000 -9.231) 10.309 16.468 ( -0.393 0.000 -2.285) 2.318 16.556 ( 19.508 0.000 -19.893) 27.862 16.985 ( -28.396 -0.000 3.148) 28.570 17.023 ( -1.168 -0.000 8.835) 8.912 17.151 ( 0.975 0.000 0.801) 1.262 17.339 ( -9.711 -0.000 -6.480) 11.675 17.494 ( -5.975 -0.000 3.761) 7.060 17.589 ( 11.754 0.000 -13.151) 17.639 17.665 ( -6.036 -0.000 6.969) 9.219 17.924 ( 4.717 -0.000 16.233) 16.905 18.661 ( -5.209 -0.000 1.118) 5.327 18.872 ( 4.488 0.000 -2.765) 5.271 19.177 ( 1.877 0.000 -7.400) 7.635 19.202 ( -3.396 -0.000 11.490) 11.982 19.350 ( 3.410 0.000 -15.088) 15.468 19.428 ( -0.344 0.000 -9.941) 9.947 19.757 ( -2.842 -0.000 8.571) 9.030 19.905 ( -2.141 -0.000 10.375) 10.594 20.325 ( -21.115 -0.000 -14.700) 25.728 20.665 ( -4.560 0.000 -7.293) 8.601 20.758 ( 5.944 -0.000 24.632) 25.339 20.867 ( -9.943 -0.000 -3.536) 10.553 21.597 ( -4.842 -0.000 4.722) 6.764 21.598 ( -11.875 -0.000 20.658) 23.828 21.913 ( 2.805 0.000 0.473) 2.844 21.913 ( 0.798 -0.000 1.418) 1.628 22.176 ( 2.519 -0.000 3.399) 4.231 22.229 ( 3.765 -0.000 5.100) 6.339 22.352 ( -1.290 0.000 -5.124) 5.284 22.439 ( 0.948 0.000 -1.184) 1.517 22.715 ( 1.031 0.000 -2.854) 3.034 22.891 ( -3.560 -0.000 -1.798) 3.988 23.023 ( -1.687 0.000 -5.081) 5.354 23.456 ( -13.324 -0.000 2.186) 13.502 23.475 ( 5.811 0.000 -7.942) 9.841 23.564 ( -3.145 0.000 -5.161) 6.043 23.758 ( -0.834 -0.000 -0.105) 0.841 23.932 ( -3.369 -0.000 -0.638) 3.429 24.118 ( -11.894 -0.000 -3.042) 12.277 24.137 ( 0.232 0.000 -1.852) 1.866 24.442 ( -2.021 -0.000 7.208) 7.486 24.869 ( -7.993 -0.000 2.901) 8.503 25.102 ( -8.353 -0.000 -1.240) 8.445 25.667 ( -2.799 -0.000 -2.646) 3.852 26.251 ( 5.416 0.000 -3.655) 6.534 26.401 ( 3.202 0.000 -4.119) 5.218 26.529 ( 8.997 0.000 3.809) 9.770 26.775 ( 0.473 -0.000 5.090) 5.112 28.257 ( 3.963 0.000 4.241) 5.804 28.583 ( 0.773 0.000 -0.970) 1.240 28.870 ( 10.019 0.000 -8.081) 12.872 28.942 ( 7.030 0.000 -1.380) 7.164 29.303 ( -4.642 -0.000 0.816) 4.713 29.433 ( -5.104 -0.000 -1.553) 5.335 29.600 ( -1.314 -0.000 2.290) 2.640 29.702 ( 1.209 -0.000 5.299) 5.435 29.914 ( -1.794 -0.000 -0.952) 2.031 30.125 ( -0.908 -0.000 5.271) 5.349 30.434 ( -8.144 -0.000 -2.810) 8.615 30.606 ( -5.339 -0.000 -1.455) 5.534 31.037 ( -1.568 -0.000 2.522) 2.969 31.463 ( 5.203 0.000 -0.807) 5.265 31.619 ( 6.780 0.000 0.793) 6.826 32.312 ( 3.371 0.000 -1.243) 3.593 32.764 ( -3.025 -0.000 -2.494) 3.920 33.177 ( 4.435 0.000 -1.062) 4.561 34.377 ( 0.155 -0.000 0.232) 0.279 34.884 ( -0.738 0.000 -0.939) 1.194 49.655 ( 3.334 0.000 -0.477) 3.367 49.780 ( -1.638 -0.000 3.450) 3.819 ======================= Grid point 49 (47/105) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -43.488 -15.827 -0.000) 46.279 3.844 ( -82.657 9.077 0.000) 83.153 4.807 ( -28.655 85.178 0.000) 89.869 6.119 (-102.034 35.204 0.000) 107.937 6.448 ( -2.481 -4.980 -0.000) 5.564 6.931 ( 13.913 -6.423 -0.000) 15.324 7.024 ( -5.704 4.343 0.000) 7.170 7.698 ( 5.733 1.948 0.000) 6.055 7.831 ( 13.533 8.327 0.000) 15.890 9.321 ( 5.162 -33.055 -0.000) 33.456 9.963 ( 13.883 -6.401 -0.000) 15.288 10.612 ( 8.833 -2.956 -0.000) 9.315 11.091 ( -17.266 -7.234 -0.000) 18.720 11.152 ( -2.151 10.536 0.000) 10.753 12.097 ( 26.414 -7.245 -0.000) 27.390 12.480 ( 1.293 1.401 0.000) 1.906 12.644 ( -23.259 11.202 0.000) 25.816 12.917 ( -6.032 1.531 0.000) 6.224 13.066 ( -16.898 -18.642 -0.000) 25.161 13.488 ( -23.189 13.934 0.000) 27.053 13.824 ( 10.167 -37.281 -0.000) 38.642 13.855 ( -8.138 7.334 0.000) 10.955 14.704 ( 11.348 7.162 0.000) 13.419 15.017 ( 7.210 -3.371 -0.000) 7.959 15.497 ( 5.452 -27.410 -0.000) 27.947 16.432 ( 7.200 15.469 0.000) 17.062 16.636 ( -2.584 0.395 0.000) 2.614 16.845 ( 2.167 -27.989 -0.000) 28.073 16.869 ( -2.701 5.709 0.000) 6.316 17.313 ( -11.023 15.239 0.000) 18.808 17.366 ( 4.569 14.398 0.000) 15.105 17.644 ( -6.590 8.336 0.000) 10.626 17.825 ( 1.824 13.105 0.000) 13.231 17.993 ( -6.930 -1.241 -0.000) 7.040 18.085 ( -3.799 23.094 0.000) 23.404 18.305 ( 15.860 6.782 0.000) 17.250 18.409 ( -13.125 0.296 0.000) 13.128 18.531 ( -23.656 -12.667 -0.000) 26.834 18.787 ( -2.102 -14.857 -0.000) 15.005 19.070 ( 16.538 -8.074 -0.000) 18.403 19.183 ( -14.496 -4.112 -0.000) 15.068 19.769 ( 20.225 20.758 0.000) 28.982 20.028 ( 5.210 1.369 0.000) 5.387 20.171 ( 17.257 15.960 0.000) 23.506 20.287 ( 1.254 6.396 0.000) 6.518 20.596 ( 6.530 -5.664 -0.000) 8.644 20.618 ( 3.179 -51.704 -0.000) 51.802 20.939 ( 12.277 -1.786 -0.000) 12.407 21.375 ( -3.068 -13.088 -0.000) 13.443 21.456 ( 5.549 1.684 0.000) 5.799 21.699 ( 2.140 1.485 0.000) 2.605 21.724 ( -9.919 2.905 0.000) 10.335 21.856 ( 2.997 2.967 0.000) 4.218 22.415 ( 6.406 2.938 0.000) 7.048 22.437 ( -2.111 -2.034 -0.000) 2.931 22.679 ( 5.479 1.346 0.000) 5.642 22.869 ( 1.869 5.424 0.000) 5.737 23.009 ( -6.927 -2.827 -0.000) 7.482 23.040 ( 2.273 3.156 0.000) 3.889 23.310 ( -10.740 0.270 0.000) 10.743 23.629 ( 0.117 -1.105 -0.000) 1.111 23.737 ( 13.395 -5.109 -0.000) 14.336 23.800 ( -13.872 10.374 0.000) 17.322 23.837 ( -2.726 -0.717 -0.000) 2.819 24.462 ( 15.665 9.042 0.000) 18.087 24.512 ( 9.514 -1.497 -0.000) 9.631 24.704 ( 24.210 -3.067 -0.000) 24.403 24.866 ( 7.890 -3.885 -0.000) 8.795 25.232 ( 4.749 3.222 0.000) 5.739 25.512 ( 5.884 -14.051 -0.000) 15.233 26.149 ( -7.018 -3.198 -0.000) 7.712 26.267 ( -10.590 -0.177 0.000) 10.591 26.454 ( -2.508 1.573 0.000) 2.961 26.651 ( -4.291 0.709 0.000) 4.349 28.206 ( -4.043 3.888 0.000) 5.609 28.568 ( -5.570 4.508 0.000) 7.166 28.677 ( -7.360 -2.765 -0.000) 7.863 28.770 ( -3.987 -2.616 -0.000) 4.769 29.482 ( -0.989 -0.916 -0.000) 1.348 29.559 ( 4.792 0.038 -0.000) 4.792 29.687 ( 2.751 -0.569 -0.000) 2.809 29.826 ( 5.645 16.968 0.000) 17.883 29.882 ( -1.229 -6.184 -0.000) 6.305 30.239 ( 2.246 7.310 0.000) 7.648 30.582 ( 8.497 -3.583 -0.000) 9.222 30.633 ( 5.502 -4.567 -0.000) 7.151 31.089 ( 1.704 3.140 0.000) 3.572 31.363 ( 0.362 0.388 0.000) 0.530 31.568 ( -9.399 5.475 0.000) 10.878 31.996 ( -4.971 -10.514 -0.000) 11.630 32.746 ( -12.715 -11.957 -0.000) 17.454 32.981 ( -0.005 5.443 0.000) 5.443 34.515 ( -1.148 5.971 0.000) 6.080 34.768 ( 1.184 -6.012 -0.000) 6.128 49.651 ( -0.607 0.888 0.000) 1.076 50.359 ( 19.005 14.929 0.000) 24.167 ======================= Grid point 51 (48/105) ======================= q-point: (-0.69 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.990 ( 34.567 3.110 0.687) 34.714 5.650 ( -25.448 -0.422 4.071) 25.775 6.094 ( 1.827 28.644 0.039) 28.702 6.668 ( -8.757 -13.293 1.181) 15.961 7.131 ( 24.082 2.928 -8.686) 25.768 7.239 ( 10.912 4.746 -0.987) 11.941 7.534 ( -11.241 -5.109 -2.512) 12.600 7.734 ( 1.861 -23.148 -3.932) 23.553 8.711 ( 4.465 6.511 6.939) 10.511 8.935 ( -7.785 -11.791 2.961) 14.436 9.799 ( -5.882 -1.376 -0.855) 6.101 9.981 ( -11.879 -8.333 -1.238) 14.563 10.785 ( 14.187 6.462 6.433) 16.865 11.256 ( -17.612 -7.578 10.894) 22.052 12.337 ( 3.968 30.097 -4.031) 30.624 12.571 ( 45.191 -11.985 -15.140) 49.144 12.902 ( -0.514 6.536 -9.801) 11.791 13.050 ( 3.111 -0.029 -10.665) 11.109 13.492 ( 3.909 24.390 6.621) 25.573 14.082 ( 21.775 -4.994 2.857) 22.523 14.165 ( 14.942 0.621 -0.478) 14.963 14.381 ( 6.708 -17.507 -2.019) 18.857 14.528 ( -21.991 -1.805 -1.893) 22.146 14.950 ( -11.685 -24.850 1.462) 27.499 15.534 ( 15.890 12.379 -13.596) 24.302 16.037 ( -9.888 -7.470 -0.193) 12.394 16.439 ( -2.797 10.877 -1.101) 11.284 16.595 ( 10.505 0.957 7.468) 12.924 16.843 ( -13.559 -0.985 9.080) 16.349 17.007 ( -8.507 -23.399 -5.744) 25.552 17.521 ( 0.416 6.719 5.483) 8.682 17.539 ( 2.740 3.918 2.808) 5.544 17.736 ( 2.780 13.657 7.013) 15.602 17.912 ( -0.196 3.482 15.562) 15.948 18.000 ( -1.202 6.146 0.903) 6.327 18.141 ( -2.956 -3.086 5.300) 6.808 18.335 ( -7.693 3.652 11.744) 14.507 18.461 ( -1.768 -4.775 8.586) 9.982 18.844 ( 3.776 -10.025 -0.416) 10.721 18.997 ( -0.740 -17.055 1.960) 17.183 19.370 ( 6.005 11.956 -3.468) 13.822 19.486 ( -10.057 9.703 1.923) 14.106 19.836 ( 0.800 33.892 -5.684) 34.375 20.044 ( 0.633 4.901 -10.771) 11.851 20.317 ( -12.804 0.346 -11.447) 17.179 20.390 ( 5.502 -1.882 -2.870) 6.485 20.817 ( 4.768 -10.902 -5.114) 12.952 20.870 ( -5.487 -18.298 -5.408) 19.854 21.322 ( 3.464 5.417 -2.747) 6.992 21.549 ( -0.865 -8.699 -5.408) 10.279 21.800 ( -0.952 -2.276 2.741) 3.687 21.951 ( -8.139 -4.697 5.215) 10.747 22.102 ( 4.067 -2.381 -2.456) 5.314 22.181 ( -8.583 1.388 0.621) 8.717 22.396 ( 3.824 -2.760 -0.660) 4.762 22.447 ( -3.334 -1.449 -0.352) 3.653 22.787 ( 7.646 2.842 1.703) 8.333 22.911 ( -0.579 3.355 0.887) 3.519 22.959 ( -2.823 -0.203 3.796) 4.735 22.978 ( -1.732 -2.731 -0.480) 3.269 23.541 ( 0.769 -0.694 -4.665) 4.779 23.637 ( -7.389 -0.654 -0.756) 7.456 23.855 ( -0.561 -0.654 4.653) 4.732 23.873 ( -0.691 -0.420 4.905) 4.971 24.193 ( 0.959 11.420 2.495) 11.729 24.340 ( 2.872 10.025 -1.014) 10.477 24.422 ( -3.481 -6.552 -2.627) 7.870 24.634 ( -5.206 -6.846 -2.568) 8.976 24.984 ( 4.485 14.051 0.262) 14.752 25.322 ( -2.502 -13.318 0.887) 13.580 26.346 ( 4.795 0.096 -0.872) 4.874 26.393 ( 0.012 -0.088 0.420) 0.429 26.748 ( 4.996 0.191 -2.951) 5.806 26.821 ( -2.365 0.186 -0.332) 2.395 28.443 ( 2.000 0.545 -0.096) 2.075 28.477 ( -0.582 -0.489 0.990) 1.249 28.944 ( 7.670 -1.567 1.257) 7.928 29.015 ( -1.139 0.152 -0.269) 1.180 29.312 ( -1.719 1.728 2.998) 3.864 29.334 ( -3.366 3.364 3.146) 5.705 29.612 ( 0.267 3.336 -2.879) 4.415 29.755 ( -3.331 -7.030 -2.997) 8.336 30.083 ( 1.834 4.060 -3.928) 5.939 30.152 ( -2.608 1.072 -0.370) 2.844 30.348 ( -3.433 2.464 1.566) 4.507 30.395 ( -1.006 -5.738 2.721) 6.430 31.191 ( -2.309 5.139 1.050) 5.731 31.288 ( 2.334 -8.525 -0.634) 8.862 31.879 ( 0.680 7.371 0.896) 7.456 32.007 ( 3.416 -9.142 -0.288) 9.764 32.906 ( 3.575 10.031 -1.137) 10.709 33.104 ( 0.039 -7.147 0.126) 7.148 34.570 ( -0.513 7.294 0.587) 7.336 34.691 ( 0.786 -6.565 0.124) 6.613 49.749 ( 3.882 1.162 -0.008) 4.052 49.896 ( -8.503 -1.686 1.666) 8.827 ======================= Grid point 52 (49/105) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -33.172 0.364 3.082) 33.316 3.925 ( -11.818 -61.474 -37.969) 73.214 5.976 ( -19.908 -5.159 -74.989) 77.758 6.385 ( -3.525 4.121 25.579) 26.147 6.749 ( -5.355 0.049 -0.285) 5.362 6.827 ( -18.805 11.674 36.545) 42.726 7.266 ( -0.096 14.685 9.446) 17.461 7.786 ( 4.261 4.024 -2.798) 6.494 8.160 ( 1.566 -12.787 0.224) 12.884 8.579 ( -30.110 5.366 -58.556) 66.063 9.736 ( -11.967 15.278 33.015) 38.296 10.257 ( -8.068 8.235 16.802) 20.377 10.917 ( 3.080 -14.646 -5.570) 15.969 11.629 ( 8.608 -9.341 -11.814) 17.348 11.866 ( 16.576 -3.769 0.590) 17.009 12.173 ( -11.753 -5.416 0.279) 12.943 12.549 ( 3.272 7.600 12.117) 14.673 12.658 ( 22.929 17.880 8.614) 30.325 13.023 ( 15.394 -4.416 4.310) 16.585 13.313 ( -7.418 10.124 1.437) 12.633 13.530 ( -12.170 10.291 -1.030) 15.971 13.751 ( -19.407 9.296 0.271) 21.520 13.957 ( -21.023 3.579 -1.572) 21.384 14.814 ( -2.226 6.263 -13.244) 14.818 15.104 ( -2.280 -8.576 16.598) 18.821 15.389 ( -20.067 -16.570 16.906) 31.034 16.468 ( 5.399 -9.624 1.040) 11.084 16.878 ( 1.449 -12.233 0.136) 12.319 16.984 ( 8.406 3.492 -8.274) 12.301 17.068 ( 0.299 -2.465 -10.780) 11.062 17.205 ( -3.106 3.982 -1.079) 5.164 17.608 ( 0.351 3.806 6.805) 7.805 17.846 ( -2.309 5.656 -2.833) 6.734 17.860 ( 0.864 1.629 -8.657) 8.851 18.290 ( 7.722 -5.094 3.325) 9.830 18.497 ( 1.416 -33.923 -1.838) 34.002 18.627 ( -5.509 -4.627 -11.705) 13.739 18.771 ( 7.179 14.934 -8.289) 18.527 18.792 ( 8.539 -2.701 3.783) 9.723 19.322 ( -1.053 9.251 13.556) 16.446 19.534 ( -8.797 12.753 6.728) 16.891 19.647 ( -7.813 -1.993 -10.725) 13.418 19.876 ( -2.366 -0.499 2.082) 3.190 20.214 ( 4.011 -13.783 9.336) 17.124 20.465 ( 7.916 -0.963 12.928) 15.189 20.901 ( 20.633 2.001 -7.406) 22.013 21.044 ( -1.428 5.702 -7.453) 9.492 21.240 ( 11.533 -9.201 5.910) 15.894 21.730 ( -2.451 22.682 -1.747) 22.881 21.880 ( -4.009 5.570 8.031) 10.564 22.013 ( 7.159 2.064 2.461) 7.847 22.077 ( 4.267 2.963 -3.683) 6.368 22.150 ( -4.452 5.025 2.498) 7.163 22.280 ( -0.498 0.568 -1.171) 1.394 22.356 ( 1.626 -0.767 -3.338) 3.792 22.518 ( -3.018 -5.604 -6.452) 9.063 22.776 ( 3.410 -4.400 11.087) 12.406 23.070 ( 0.583 -1.239 -4.712) 4.907 23.180 ( 4.267 -6.406 -13.183) 15.265 23.411 ( -0.620 2.002 3.186) 3.814 23.526 ( 11.984 0.528 -0.132) 11.997 23.753 ( 10.037 4.649 7.186) 13.191 23.907 ( 1.613 -1.455 1.692) 2.753 23.992 ( -2.470 -9.327 -7.553) 12.253 24.050 ( 0.162 0.857 12.580) 12.611 24.250 ( -1.875 -1.853 -11.722) 12.015 24.472 ( -9.125 3.459 8.180) 12.733 24.912 ( 2.806 -3.289 -1.297) 4.514 25.101 ( 4.091 -1.552 0.833) 4.454 25.569 ( 3.579 6.069 3.141) 7.714 25.873 ( -7.616 3.114 1.824) 8.428 26.048 ( -7.089 -2.666 -1.194) 7.668 26.769 ( 1.892 -1.188 7.000) 7.348 26.897 ( 6.178 1.387 -6.269) 8.910 28.184 ( -7.469 -0.389 -2.113) 7.772 28.328 ( -2.180 2.857 3.098) 4.744 28.542 ( -2.021 2.641 -4.906) 5.927 28.863 ( -2.138 -4.248 -2.898) 5.569 29.423 ( 2.423 -7.663 5.252) 9.601 29.546 ( 3.898 -0.735 0.727) 4.033 29.709 ( 1.356 -0.145 -0.014) 1.364 29.949 ( -3.799 -2.395 5.437) 7.052 29.977 ( -0.035 3.150 -10.833) 11.282 30.236 ( 2.141 0.765 -5.213) 5.688 30.718 ( 6.769 0.690 3.802) 7.795 30.795 ( 5.606 7.541 0.318) 9.402 31.223 ( -0.265 -3.188 -0.105) 3.201 31.391 ( -7.713 -4.276 -1.639) 8.970 31.504 ( 9.402 1.183 -1.440) 9.585 31.835 ( -7.474 6.392 4.354) 10.756 32.565 ( -2.810 -3.219 7.960) 9.034 32.846 ( -8.176 1.728 -5.844) 10.198 34.451 ( 0.233 -3.758 -1.765) 4.158 34.788 ( 0.037 3.747 2.172) 4.331 49.642 ( -0.104 -3.262 -0.005) 3.263 50.335 ( 5.634 -2.394 -11.016) 12.603 ======================= Grid point 54 (50/105) ======================= q-point: (-0.29 0.46 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.930 ( -34.224 -3.120 0.141) 34.366 5.300 ( 19.828 -37.297 0.266) 42.241 5.858 ( 27.768 3.701 -1.931) 28.080 6.790 ( -29.142 1.145 3.550) 29.380 7.038 ( -1.348 3.035 0.001) 3.321 7.197 ( 6.182 0.240 -0.348) 6.197 7.528 ( 10.198 1.990 1.253) 10.466 8.280 ( 12.109 29.342 -4.021) 31.996 8.737 ( -15.224 -0.325 -2.520) 15.434 9.342 ( 12.783 18.672 -2.137) 22.729 9.856 ( 0.400 8.538 0.440) 8.559 10.059 ( -10.310 13.339 13.578) 21.647 10.890 ( -17.178 -16.233 -14.404) 27.679 11.373 ( -4.388 -13.527 -7.454) 16.056 11.780 ( 2.709 -16.186 7.504) 18.045 12.305 ( -6.876 -8.174 -5.883) 12.194 12.554 ( 21.147 -9.232 10.571) 25.381 12.831 ( -8.096 -4.096 16.111) 18.491 13.366 ( -31.417 7.869 -2.855) 32.513 13.761 ( 4.222 -18.070 -4.630) 19.126 14.151 ( 1.421 7.889 19.074) 20.690 14.666 ( 3.270 16.286 -1.400) 16.670 14.778 ( -26.415 -2.142 6.134) 27.202 15.193 ( -13.997 6.490 -4.214) 15.994 15.587 ( 0.774 39.788 2.666) 39.885 16.191 ( 22.366 2.594 -8.306) 24.000 16.488 ( 4.691 13.159 -4.349) 14.631 16.811 ( -7.447 -1.906 -9.471) 12.199 16.947 ( -2.928 -16.335 -0.403) 16.600 17.195 ( 19.517 -13.176 -6.079) 24.321 17.276 ( 2.012 19.890 9.927) 22.320 17.498 ( 4.382 -6.669 -4.416) 9.121 17.631 ( 3.303 -21.798 -2.433) 22.181 17.925 ( 2.880 -4.451 -10.243) 11.534 18.135 ( 13.751 -18.527 -12.142) 26.073 18.368 ( -13.567 -0.532 -14.281) 19.706 18.401 ( 0.459 8.675 -0.123) 8.688 18.571 ( 0.435 -31.567 6.011) 32.137 18.917 ( -5.271 11.684 -1.728) 12.934 19.026 ( -8.269 5.673 4.507) 10.994 19.256 ( -5.428 -6.629 0.458) 8.580 19.415 ( 0.321 7.779 -0.626) 7.811 19.625 ( -12.248 3.180 -3.394) 13.101 19.711 ( 3.543 -3.507 16.092) 16.847 20.123 ( 11.561 4.283 -12.049) 17.238 20.447 ( 0.803 5.803 0.540) 5.883 20.628 ( -4.023 -1.716 16.409) 16.982 20.840 ( -1.540 -12.047 -2.424) 12.384 21.184 ( -4.853 -3.611 14.468) 15.682 21.645 ( 3.809 4.200 9.248) 10.848 21.903 ( -1.532 0.229 4.493) 4.752 22.008 ( 7.136 22.397 -2.301) 23.619 22.190 ( 8.640 4.964 1.838) 10.133 22.286 ( -1.332 7.377 -3.212) 8.155 22.442 ( 0.113 -1.496 -4.891) 5.116 22.535 ( 0.907 2.504 -1.253) 2.943 22.817 ( 2.315 -2.871 -3.982) 5.427 22.908 ( 0.885 2.072 -1.018) 2.472 22.984 ( 5.466 -0.456 0.494) 5.507 23.017 ( -0.553 1.789 -0.192) 1.882 23.523 ( -3.403 -0.232 -1.989) 3.949 23.681 ( 11.723 0.277 -3.635) 12.277 23.864 ( 3.006 -11.699 0.009) 12.079 23.941 ( -1.207 0.554 -2.007) 2.407 24.036 ( 2.598 -8.054 -2.181) 8.740 24.135 ( 0.538 -5.845 -4.036) 7.124 24.415 ( -3.768 3.701 10.553) 11.801 24.733 ( 1.984 3.957 -0.517) 4.456 24.752 ( -4.487 -6.254 2.208) 8.008 25.528 ( -0.350 8.205 0.880) 8.259 26.343 ( -6.330 -0.887 -1.392) 6.541 26.428 ( 1.587 -0.189 -3.100) 3.487 26.674 ( -6.286 -0.513 3.255) 7.097 26.782 ( 2.894 -0.143 2.803) 4.031 28.427 ( 1.542 -1.627 -0.723) 2.355 28.509 ( -1.076 1.342 0.337) 1.753 29.016 ( -1.942 2.626 -1.907) 3.782 29.038 ( -5.240 3.038 -0.504) 6.078 29.292 ( 2.812 -6.840 -3.792) 8.311 29.343 ( 0.515 -2.295 -1.798) 2.960 29.572 ( 1.699 1.234 -0.172) 2.106 29.780 ( 1.316 2.277 2.644) 3.729 29.902 ( 0.728 -3.490 5.404) 6.474 30.118 ( 3.810 -0.956 1.150) 4.093 30.337 ( 2.103 -1.558 -1.137) 2.854 30.542 ( 2.966 3.647 -2.140) 5.165 31.150 ( 5.245 -1.946 -0.933) 5.672 31.430 ( -4.305 7.012 0.496) 8.243 31.784 ( -0.467 -4.287 -0.425) 4.334 32.172 ( -5.388 8.674 0.427) 10.220 32.698 ( -5.247 -9.427 0.587) 10.805 33.212 ( -0.232 4.070 -0.172) 4.080 34.458 ( 1.358 -5.178 -0.230) 5.358 34.796 ( -1.783 3.825 -0.310) 4.231 49.724 ( -2.102 -1.275 -0.014) 2.459 49.963 ( 11.969 1.019 -1.731) 12.136 ======================= Grid point 55 (51/105) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -0.000 32.665 0.000) 32.665 0.816 ( -0.000 43.543 0.000) 43.543 2.421 ( 0.000 -0.413 -0.000) 0.413 2.573 ( -0.000 136.907 0.000) 136.907 6.418 ( 0.000 -0.061 -0.000) 0.061 6.853 ( -0.000 1.489 0.000) 1.489 7.309 ( 0.000 -1.701 -0.000) 1.701 7.801 ( -0.000 0.378 0.000) 0.378 8.478 ( 0.000 -8.003 -0.000) 8.003 10.176 ( 0.000 -13.872 -0.000) 13.872 10.209 ( 0.000 -34.012 -0.000) 34.012 10.464 ( -0.000 16.759 0.000) 16.759 10.637 ( -0.000 18.768 0.000) 18.768 11.059 ( 0.000 -8.397 -0.000) 8.397 11.868 ( -0.000 10.466 0.000) 10.466 12.302 ( -0.000 21.374 0.000) 21.374 12.426 ( -0.000 1.740 0.000) 1.740 12.966 ( 0.000 -24.617 -0.000) 24.617 13.103 ( 0.000 -11.640 -0.000) 11.640 13.195 ( 0.000 -6.567 -0.000) 6.567 13.991 ( 0.000 -4.776 -0.000) 4.776 14.805 ( 0.000 -0.710 -0.000) 0.710 15.017 ( 0.000 -54.128 -0.000) 54.128 15.233 ( 0.000 -0.467 -0.000) 0.467 15.797 ( -0.000 18.443 0.000) 18.443 16.442 ( -0.000 5.515 0.000) 5.515 16.627 ( -0.000 17.397 0.000) 17.397 16.919 ( -0.000 1.286 0.000) 1.286 16.970 ( 0.000 -3.040 -0.000) 3.040 17.009 ( -0.000 25.265 0.000) 25.265 17.164 ( 0.000 -17.991 -0.000) 17.991 17.186 ( 0.000 -9.881 -0.000) 9.881 17.571 ( 0.000 -12.307 -0.000) 12.307 17.649 ( -0.000 29.285 0.000) 29.285 17.911 ( -0.000 5.494 0.000) 5.494 17.967 ( -0.000 8.967 0.000) 8.967 18.168 ( 0.000 -4.802 -0.000) 4.802 18.373 ( -0.000 3.677 0.000) 3.677 18.793 ( 0.000 -2.405 -0.000) 2.405 19.197 ( 0.000 -18.684 -0.000) 18.684 19.279 ( -0.000 29.095 0.000) 29.095 19.628 ( 0.000 -13.362 -0.000) 13.362 19.885 ( -0.000 18.747 0.000) 18.747 20.241 ( -0.000 14.825 0.000) 14.825 20.974 ( 0.000 -8.628 -0.000) 8.628 21.064 ( 0.000 -5.779 -0.000) 5.779 21.207 ( 0.000 -7.621 -0.000) 7.621 21.343 ( 0.000 -14.013 -0.000) 14.013 21.387 ( -0.000 6.724 0.000) 6.724 21.471 ( 0.000 -5.298 -0.000) 5.298 21.641 ( 0.000 -11.280 -0.000) 11.280 21.937 ( 0.000 -17.666 -0.000) 17.666 22.275 ( -0.000 0.428 0.000) 0.428 22.471 ( 0.000 -2.338 -0.000) 2.338 22.489 ( -0.000 1.695 0.000) 1.695 22.673 ( -0.000 4.517 0.000) 4.517 22.703 ( 0.000 -0.202 -0.000) 0.202 22.772 ( -0.000 11.085 0.000) 11.085 22.807 ( -0.000 1.139 0.000) 1.139 23.165 ( 0.000 -6.919 -0.000) 6.919 23.234 ( -0.000 0.176 0.000) 0.176 23.651 ( 0.000 -1.423 -0.000) 1.423 23.691 ( -0.000 8.182 0.000) 8.182 24.226 ( 0.000 -4.117 -0.000) 4.117 24.454 ( -0.000 15.203 0.000) 15.203 24.975 ( 0.000 -1.048 -0.000) 1.048 24.996 ( 0.000 -2.316 -0.000) 2.316 25.307 ( 0.000 -2.207 -0.000) 2.207 25.582 ( 0.000 -3.108 -0.000) 3.108 25.882 ( 0.000 -8.823 -0.000) 8.823 25.988 ( 0.000 -3.506 -0.000) 3.506 26.012 ( 0.000 -0.589 -0.000) 0.589 26.352 ( -0.000 2.741 0.000) 2.741 26.515 ( -0.000 0.656 0.000) 0.656 28.080 ( -0.000 0.435 0.000) 0.435 28.217 ( -0.000 5.200 0.000) 5.200 28.580 ( 0.000 -4.125 -0.000) 4.125 28.767 ( 0.000 -1.099 -0.000) 1.099 29.292 ( -0.000 10.850 0.000) 10.850 29.671 ( 0.000 -0.372 -0.000) 0.372 29.723 ( -0.000 5.015 0.000) 5.015 29.747 ( -0.000 0.326 0.000) 0.326 29.977 ( 0.000 -3.759 -0.000) 3.759 30.252 ( -0.000 3.055 0.000) 3.055 30.862 ( 0.000 -5.479 -0.000) 5.479 31.021 ( 0.000 -8.108 -0.000) 8.108 31.035 ( -0.000 5.113 0.000) 5.113 31.254 ( -0.000 3.502 0.000) 3.502 31.300 ( -0.000 5.062 0.000) 5.062 32.023 ( 0.000 -8.101 -0.000) 8.101 32.305 ( 0.000 -1.379 -0.000) 1.379 32.906 ( -0.000 3.447 0.000) 3.447 34.413 ( -0.000 3.071 0.000) 3.071 34.883 ( 0.000 -2.998 -0.000) 2.998 49.643 ( -0.000 0.386 0.000) 0.386 51.066 ( 0.000 -0.244 -0.000) 0.244 ======================= Grid point 56 (52/105) ======================= q-point: ( 0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( 34.469 52.216 20.124) 65.724 4.442 ( 39.599 1.286 -5.147) 39.953 5.866 ( 23.065 1.300 30.548) 38.300 6.562 ( -4.514 0.095 2.042) 4.955 6.747 ( 11.406 0.730 4.198) 12.176 7.133 ( 12.058 -1.670 1.732) 12.295 7.357 ( -4.721 -5.881 0.065) 7.542 7.767 ( -10.599 4.854 4.092) 12.355 9.264 ( 13.588 -18.251 -40.226) 46.216 9.484 ( 10.961 -17.790 10.656) 23.456 10.038 ( 44.157 -5.677 38.817) 59.066 10.455 ( -6.812 -12.416 -6.973) 15.785 10.822 ( -7.558 -0.361 -0.688) 7.598 11.058 ( -30.223 -0.892 14.466) 33.518 11.344 ( -2.704 8.322 -13.687) 16.245 12.227 ( -9.152 26.805 -2.715) 28.454 12.425 ( 2.566 36.176 -5.982) 36.756 12.862 ( 8.310 4.159 8.698) 12.729 13.549 ( 7.619 0.654 -2.807) 8.146 13.650 ( 37.793 -17.935 -24.509) 48.484 14.009 ( 9.076 -28.706 3.153) 30.272 14.560 ( 10.110 -4.747 -9.187) 14.462 14.957 ( 16.311 -1.396 17.641) 24.067 15.069 ( 15.281 -28.209 -1.763) 32.130 15.619 ( 12.560 -1.924 -11.440) 17.097 16.056 ( -0.312 0.577 -8.795) 8.819 16.338 ( -0.258 9.800 -10.315) 14.230 16.780 ( -5.467 1.868 -3.035) 6.526 16.857 ( -3.730 8.270 -3.025) 9.564 17.089 ( -8.906 2.705 -2.450) 9.625 17.164 ( 2.659 0.528 -1.416) 3.059 17.305 ( -12.568 4.179 11.867) 17.783 17.637 ( 0.017 9.290 -1.723) 9.449 17.699 ( -3.457 10.873 7.975) 13.920 17.979 ( -11.585 7.579 9.876) 17.005 18.366 ( 5.280 1.357 4.792) 7.258 18.559 ( -5.905 -12.878 -4.108) 14.751 18.610 ( 2.822 -8.530 -8.484) 12.357 19.012 ( 0.715 24.884 -9.226) 26.549 19.097 ( 1.553 -9.606 -4.500) 10.721 19.224 ( -14.028 -5.926 -3.983) 15.740 19.418 ( -10.375 0.897 4.608) 11.388 19.998 ( -7.023 -0.636 11.715) 13.673 20.083 ( -13.631 -0.951 -1.443) 13.741 20.214 ( -7.546 10.253 0.183) 12.732 20.479 ( 14.417 -2.965 -1.298) 14.776 20.824 ( -7.108 0.677 2.990) 7.741 21.036 ( -7.266 8.062 -5.395) 12.120 21.729 ( -2.126 -10.035 12.557) 16.214 21.750 ( 4.101 -20.645 -0.576) 21.056 21.901 ( 0.893 -0.958 -1.869) 2.282 21.939 ( -0.331 -7.733 5.360) 9.415 22.197 ( -18.327 -0.806 19.196) 26.553 22.241 ( 4.272 -0.468 -0.970) 4.406 22.307 ( -1.855 -0.935 0.258) 2.093 22.506 ( 0.994 0.201 -0.302) 1.058 22.746 ( 0.604 3.640 -0.280) 3.700 22.838 ( -1.805 2.924 -4.134) 5.375 22.884 ( 3.832 -0.316 -5.703) 6.878 23.189 ( -5.405 -6.180 -5.902) 10.112 23.509 ( 5.292 5.912 -1.474) 8.071 23.593 ( -5.367 -0.460 3.668) 6.517 23.827 ( -4.656 2.994 -1.577) 5.756 23.920 ( -4.177 3.596 -1.031) 5.607 24.106 ( -5.056 5.228 -0.607) 7.299 24.205 ( -6.361 10.299 -3.629) 12.637 24.475 ( 3.257 -2.103 0.008) 3.877 24.832 ( -7.485 -7.028 -0.653) 10.288 25.077 ( -4.837 2.762 -3.739) 6.709 25.525 ( -0.904 -9.225 -1.745) 9.432 26.217 ( 7.381 0.065 0.670) 7.412 26.341 ( 4.591 0.570 -1.986) 5.035 26.638 ( 5.341 -0.065 6.437) 8.364 26.838 ( -0.164 0.264 -0.182) 0.360 28.361 ( 3.174 0.644 3.962) 5.117 28.510 ( 0.560 -1.284 -4.768) 4.970 28.733 ( 10.133 -1.066 -0.516) 10.202 28.970 ( 5.105 2.553 -0.188) 5.711 29.329 ( -5.774 3.997 -2.709) 7.526 29.401 ( -5.141 2.706 -3.085) 6.578 29.632 ( -2.285 0.863 0.924) 2.611 29.798 ( 0.589 -4.784 6.980) 8.482 29.998 ( -0.949 3.624 4.383) 5.766 30.204 ( 2.012 2.009 -0.991) 3.011 30.374 ( -9.466 -0.385 -1.013) 9.527 30.549 ( -5.712 -2.959 -1.393) 6.582 31.108 ( -3.352 1.316 2.914) 4.633 31.400 ( 4.442 -4.329 -1.200) 6.318 31.670 ( 6.098 3.542 0.909) 7.111 32.182 ( 4.082 -8.675 -2.502) 9.908 32.774 ( 0.302 7.188 -3.296) 7.914 33.118 ( 5.572 -4.636 0.646) 7.277 34.430 ( 0.366 4.658 0.452) 4.694 34.819 ( -0.427 -4.062 -1.357) 4.304 49.672 ( 2.452 1.653 0.064) 2.958 49.915 ( -5.994 4.227 3.665) 8.199 ======================= Grid point 60 (53/105) ======================= q-point: ( 0.49 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( -42.842 -7.387 -1.306) 43.494 4.389 ( -64.802 11.121 34.662) 74.327 6.029 ( -8.042 -6.238 -11.733) 15.532 6.196 ( -50.886 23.153 23.139) 60.505 6.783 ( 4.250 -2.876 -0.745) 5.185 6.920 ( -17.707 1.075 6.335) 18.837 7.468 ( 11.230 22.944 -2.322) 25.651 7.847 ( -2.975 18.266 11.210) 21.637 8.124 ( -16.067 21.061 10.565) 28.519 8.758 ( -5.034 -18.052 -0.349) 18.744 9.560 ( -11.499 -2.008 -30.870) 33.003 10.653 ( 15.309 -0.751 7.938) 17.261 10.851 ( 17.090 2.698 -4.534) 17.886 11.512 ( 22.360 0.110 7.637) 23.628 11.872 ( 0.062 0.965 -7.100) 7.165 12.409 ( -6.883 -22.929 3.832) 24.245 12.485 ( -6.771 -20.829 6.621) 22.881 12.728 ( -7.331 -9.029 -12.532) 17.097 12.999 ( -9.915 -16.260 -7.781) 20.573 13.228 ( -18.504 18.461 2.528) 26.260 13.951 ( -20.883 26.058 -7.578) 34.243 14.064 ( -14.826 11.205 2.039) 18.695 14.704 ( 0.248 -1.416 -15.377) 15.444 14.895 ( 4.360 3.718 0.798) 5.785 15.091 ( 7.703 -21.759 8.164) 24.484 16.161 ( -10.401 -28.672 -10.026) 32.106 16.664 ( 0.378 0.272 -5.664) 5.683 16.718 ( 6.438 13.638 -4.331) 15.690 16.993 ( -2.872 11.380 2.620) 12.026 17.328 ( 5.250 -7.380 -4.524) 10.124 17.550 ( -11.123 7.864 -6.733) 15.196 17.662 ( -2.564 2.130 -10.213) 10.743 17.785 ( -3.011 0.586 -8.602) 9.133 17.893 ( -0.681 4.048 -0.080) 4.105 18.222 ( -1.753 11.953 -3.544) 12.590 18.412 ( 2.927 -9.737 2.761) 10.535 18.536 ( 6.227 7.042 2.316) 9.681 18.649 ( 3.102 11.305 6.147) 13.237 18.936 ( -4.382 7.115 16.706) 18.679 19.081 ( 14.332 -3.449 -2.815) 15.008 19.231 ( -1.499 2.729 9.500) 9.997 19.536 ( 2.605 -52.290 -1.402) 52.374 19.706 ( 4.682 -3.746 3.114) 6.757 20.240 ( 8.965 -12.107 -3.421) 15.448 20.335 ( 11.376 1.275 11.947) 16.546 20.467 ( 6.558 0.279 16.242) 17.519 20.722 ( 5.677 -2.212 -6.460) 8.880 21.039 ( 1.415 20.986 7.044) 22.182 21.200 ( -1.141 -8.821 3.725) 9.643 21.509 ( -0.957 8.513 1.184) 8.648 21.825 ( -4.728 2.937 5.397) 7.753 21.840 ( -0.063 -1.268 6.259) 6.387 22.018 ( 3.429 10.184 2.767) 11.096 22.334 ( -3.835 -3.283 -3.461) 6.121 22.444 ( 7.319 2.092 -2.392) 7.979 22.646 ( 3.343 -0.051 -3.719) 5.000 22.889 ( -5.530 -0.412 -4.008) 6.842 22.941 ( 6.220 3.271 -0.181) 7.030 23.117 ( 3.458 3.558 0.245) 4.967 23.396 ( 8.873 -7.256 -2.111) 11.655 23.476 ( -7.429 1.569 2.732) 8.070 23.663 ( 0.958 0.667 -2.223) 2.511 23.770 ( -4.838 -1.234 -1.904) 5.343 24.137 ( -9.401 8.028 5.722) 13.623 24.214 ( 3.801 -7.119 -12.849) 15.173 24.505 ( 18.818 2.979 -5.121) 19.728 24.682 ( 9.914 -9.971 -2.181) 14.229 24.853 ( 17.495 3.054 5.898) 18.713 25.183 ( 6.556 -13.543 -5.194) 15.918 25.378 ( 0.262 8.107 0.914) 8.162 26.049 ( -9.080 -3.177 -1.982) 9.822 26.338 ( -4.549 0.143 1.080) 4.678 26.361 ( -7.241 0.159 -0.525) 7.262 26.791 ( -0.975 0.876 6.765) 6.891 28.292 ( -4.148 3.126 0.597) 5.228 28.506 ( -5.260 -1.481 -6.621) 8.585 28.657 ( -4.629 5.459 -1.179) 7.254 28.864 ( -3.960 0.570 5.916) 7.141 29.437 ( 0.662 -5.746 0.347) 5.795 29.534 ( 4.310 -0.686 -2.533) 5.046 29.675 ( 3.031 -0.499 0.376) 3.095 29.775 ( -1.583 -6.615 4.354) 8.076 30.089 ( 7.359 9.913 -1.685) 12.460 30.416 ( -1.199 10.563 -0.975) 10.675 30.446 ( 8.106 -4.588 -2.450) 9.632 30.602 ( 6.302 -1.139 1.321) 6.539 31.169 ( 0.274 2.010 2.027) 2.868 31.362 ( 3.918 1.184 -1.421) 4.332 31.704 ( -9.502 6.741 1.849) 11.796 31.784 ( -5.547 -8.750 -1.823) 10.519 32.575 ( -10.638 -9.411 2.825) 14.481 33.058 ( -2.310 4.647 -1.745) 5.475 34.607 ( -0.808 -0.010 -1.328) 1.554 34.658 ( 0.756 -0.792 0.541) 1.221 49.669 ( -0.590 0.222 0.288) 0.693 50.481 ( 16.286 6.412 -6.175) 18.560 ======================= Grid point 61 (54/105) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 54.227 0.000 -0.000) 54.227 3.669 ( 87.055 0.000 -0.000) 87.055 4.312 ( 26.882 0.000 -0.000) 26.882 5.683 ( 128.299 0.000 -0.000) 128.299 6.510 ( 5.422 0.000 -0.000) 5.422 6.989 ( 7.168 0.000 -0.000) 7.168 7.011 ( -15.174 -0.000 0.000) 15.174 7.428 ( -4.936 -0.000 0.000) 4.936 7.662 ( -5.193 -0.000 0.000) 5.193 9.879 ( -15.298 -0.000 0.000) 15.298 10.589 ( 13.298 0.000 -0.000) 13.298 10.674 ( 2.238 0.000 -0.000) 2.238 10.966 ( 13.337 0.000 -0.000) 13.337 11.014 ( -13.070 -0.000 0.000) 13.070 12.141 ( -9.745 -0.000 0.000) 9.745 12.219 ( 24.426 0.000 -0.000) 24.426 12.502 ( -47.808 -0.000 0.000) 47.808 12.508 ( 11.330 0.000 -0.000) 11.330 13.512 ( 6.177 0.000 -0.000) 6.177 13.578 ( 22.835 0.000 -0.000) 22.835 13.614 ( -0.785 -0.000 0.000) 0.785 14.624 ( 13.944 0.000 -0.000) 13.944 15.026 ( -7.968 -0.000 0.000) 7.968 15.358 ( -19.381 -0.000 0.000) 19.381 16.126 ( -4.377 -0.000 0.000) 4.377 16.350 ( 22.379 0.000 -0.000) 22.379 16.471 ( 0.311 0.000 -0.000) 0.311 16.801 ( -13.489 -0.000 0.000) 13.489 16.838 ( 0.682 0.000 -0.000) 0.682 16.870 ( 18.957 0.000 -0.000) 18.957 17.237 ( -1.377 -0.000 0.000) 1.377 17.284 ( 1.014 0.000 -0.000) 1.014 17.525 ( 10.784 0.000 -0.000) 10.784 17.554 ( -6.589 -0.000 0.000) 6.589 17.778 ( -8.962 -0.000 0.000) 8.962 18.034 ( -9.601 -0.000 0.000) 9.601 18.673 ( 13.050 0.000 -0.000) 13.050 18.853 ( 23.999 0.000 -0.000) 23.999 18.948 ( -14.680 -0.000 0.000) 14.680 19.062 ( 9.960 0.000 -0.000) 9.960 19.640 ( -13.959 -0.000 0.000) 13.959 19.646 ( 10.005 0.000 -0.000) 10.005 19.699 ( 6.032 0.000 -0.000) 6.032 19.755 ( -8.680 -0.000 0.000) 8.680 20.208 ( -12.332 -0.000 0.000) 12.332 20.827 ( -6.440 -0.000 0.000) 6.440 20.911 ( -17.430 -0.000 0.000) 17.430 21.217 ( -13.637 -0.000 0.000) 13.637 21.470 ( -2.069 -0.000 0.000) 2.069 21.723 ( -3.565 -0.000 0.000) 3.565 21.800 ( 2.430 0.000 -0.000) 2.430 21.832 ( 4.566 0.000 -0.000) 4.566 22.150 ( 0.365 0.000 -0.000) 0.365 22.201 ( -9.494 -0.000 0.000) 9.494 22.438 ( 0.032 0.000 -0.000) 0.032 22.491 ( -6.184 -0.000 0.000) 6.184 22.741 ( 0.815 0.000 -0.000) 0.815 22.976 ( -1.629 -0.000 0.000) 1.629 23.069 ( 8.165 0.000 -0.000) 8.165 23.531 ( 2.967 0.000 -0.000) 2.967 23.548 ( -0.962 -0.000 0.000) 0.962 23.572 ( 10.379 0.000 -0.000) 10.379 23.681 ( 0.046 0.000 -0.000) 0.046 24.037 ( -0.818 -0.000 0.000) 0.818 24.060 ( -5.187 -0.000 0.000) 5.187 24.503 ( -20.337 -0.000 0.000) 20.337 24.769 ( -29.246 -0.000 0.000) 29.246 24.943 ( -3.373 -0.000 0.000) 3.373 25.262 ( -6.225 -0.000 0.000) 6.225 25.800 ( -5.829 -0.000 0.000) 5.829 26.206 ( 4.725 0.000 -0.000) 4.725 26.279 ( 10.705 0.000 -0.000) 10.705 26.416 ( 3.535 0.000 -0.000) 3.535 26.630 ( 3.986 0.000 -0.000) 3.986 28.135 ( 2.951 0.000 -0.000) 2.951 28.482 ( 9.617 0.000 -0.000) 9.617 28.811 ( 7.402 0.000 -0.000) 7.402 28.834 ( 4.578 0.000 -0.000) 4.578 29.274 ( 2.858 0.000 -0.000) 2.858 29.555 ( -5.369 -0.000 0.000) 5.369 29.591 ( -3.266 -0.000 0.000) 3.266 29.698 ( -2.098 -0.000 0.000) 2.098 29.978 ( -0.920 -0.000 0.000) 0.920 30.087 ( -2.805 -0.000 0.000) 2.805 30.635 ( -9.246 -0.000 0.000) 9.246 30.746 ( -6.876 -0.000 0.000) 6.876 31.044 ( -3.072 -0.000 0.000) 3.072 31.369 ( 5.416 0.000 -0.000) 5.416 31.440 ( 9.730 0.000 -0.000) 9.730 32.247 ( 5.000 0.000 -0.000) 5.000 32.843 ( -1.790 -0.000 0.000) 1.790 33.114 ( 4.124 0.000 -0.000) 4.124 34.376 ( -0.236 -0.000 0.000) 0.236 34.905 ( -0.382 -0.000 0.000) 0.382 49.630 ( 0.433 0.000 -0.000) 0.433 49.751 ( -0.437 -0.000 0.000) 0.437 ======================= Grid point 62 (55/105) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.867 ( 9.899 0.000 -4.134) 10.728 4.972 ( -37.319 -0.000 3.514) 37.484 5.832 ( 30.399 0.000 -3.413) 30.590 6.941 ( -15.903 -0.000 4.498) 16.526 7.005 ( -1.897 0.000 -2.972) 3.526 7.236 ( 1.225 -0.000 4.751) 4.907 7.535 ( 7.979 0.000 -0.916) 8.032 8.251 ( 20.917 0.000 -18.240) 27.753 8.741 ( -24.099 -0.000 5.462) 24.710 9.712 ( 1.853 0.000 -6.921) 7.165 9.794 ( 7.499 0.000 5.159) 9.103 10.566 ( -8.854 -0.000 2.650) 9.242 10.839 ( 1.115 0.000 -11.186) 11.242 10.887 ( -8.532 -0.000 26.361) 27.708 11.748 ( -5.254 -0.000 5.887) 7.891 11.874 ( 7.644 0.000 -22.637) 23.893 12.604 ( 6.750 0.000 6.296) 9.231 13.066 ( 2.258 -0.000 7.022) 7.376 13.397 ( 12.757 0.000 -7.794) 14.950 13.821 ( -67.955 -0.000 24.140) 72.115 14.572 ( -7.448 -0.000 4.249) 8.574 14.820 ( 6.711 0.000 0.133) 6.712 14.998 ( -18.931 -0.000 18.582) 26.527 15.165 ( -13.137 -0.000 -3.720) 13.653 15.946 ( 24.112 0.000 -9.669) 25.979 16.227 ( 1.944 0.000 -6.035) 6.340 16.355 ( 0.951 0.000 -10.167) 10.212 16.498 ( 7.465 0.000 -1.880) 7.698 16.627 ( -14.398 -0.000 -5.044) 15.256 17.171 ( -3.527 0.000 -7.425) 8.220 17.219 ( 6.621 0.000 3.124) 7.321 17.415 ( 1.600 0.000 -4.458) 4.737 17.553 ( 17.462 0.000 -17.976) 25.061 17.690 ( 9.657 0.000 -1.460) 9.767 17.803 ( -1.689 -0.000 10.386) 10.523 18.068 ( -9.279 -0.000 -4.218) 10.193 18.393 ( 5.299 0.000 3.996) 6.637 18.608 ( 16.512 0.000 3.837) 16.952 18.694 ( -7.710 0.000 -15.088) 16.944 19.182 ( -18.062 -0.000 4.080) 18.518 19.365 ( 6.159 -0.000 6.829) 9.196 19.488 ( -2.703 -0.000 2.582) 3.738 19.558 ( 15.082 0.000 -27.607) 31.458 19.821 ( 2.333 -0.000 5.487) 5.962 20.165 ( -1.533 -0.000 22.031) 22.085 20.480 ( 4.898 0.000 -4.156) 6.423 20.657 ( -1.549 -0.000 1.772) 2.354 20.870 ( -14.433 -0.000 12.391) 19.022 21.476 ( 4.920 -0.000 7.555) 9.015 21.857 ( -1.505 -0.000 5.326) 5.535 22.027 ( 3.555 -0.000 3.957) 5.319 22.124 ( 9.864 0.000 0.472) 9.876 22.149 ( -3.161 0.000 -9.245) 9.770 22.325 ( 1.772 0.000 -3.893) 4.277 22.522 ( -1.427 -0.000 3.831) 4.088 22.558 ( 0.827 -0.000 6.913) 6.962 22.731 ( 3.303 0.000 -2.439) 4.106 22.948 ( -7.060 -0.000 -4.876) 8.580 22.954 ( 1.806 0.000 -2.079) 2.754 23.023 ( 5.681 0.000 0.737) 5.729 23.519 ( -0.917 -0.000 0.076) 0.920 23.567 ( -0.215 -0.000 0.323) 0.388 23.688 ( 8.900 0.000 0.843) 8.940 23.858 ( 3.093 0.000 -5.951) 6.707 23.899 ( 0.154 0.000 -4.066) 4.069 24.008 ( 1.131 0.000 -3.549) 3.725 24.626 ( -1.471 0.000 -2.556) 2.949 24.682 ( -0.475 -0.000 8.641) 8.654 24.837 ( -2.169 -0.000 1.392) 2.577 25.615 ( 0.112 0.000 -0.152) 0.189 26.347 ( -5.585 -0.000 2.080) 5.959 26.389 ( 0.125 0.000 -0.470) 0.487 26.740 ( -4.667 -0.000 3.249) 5.686 26.812 ( 2.552 0.000 0.109) 2.554 28.414 ( -0.919 -0.000 0.777) 1.203 28.503 ( -0.294 0.000 -2.092) 2.112 28.994 ( -5.717 -0.000 -3.138) 6.522 29.064 ( 2.055 0.000 0.684) 2.166 29.113 ( 0.911 0.000 -4.062) 4.163 29.281 ( 2.059 0.000 -1.940) 2.829 29.591 ( 0.634 -0.000 0.869) 1.076 29.905 ( -1.335 -0.000 6.476) 6.612 29.962 ( 4.630 0.000 2.506) 5.264 30.116 ( -0.862 -0.000 -0.589) 1.044 30.294 ( 3.617 0.000 -1.367) 3.867 30.526 ( 3.492 0.000 -2.416) 4.246 31.107 ( 3.889 0.000 -1.325) 4.108 31.514 ( -3.701 -0.000 0.642) 3.757 31.737 ( -1.341 -0.000 -0.347) 1.385 32.300 ( -4.184 -0.000 1.276) 4.374 32.594 ( -3.325 -0.000 0.641) 3.386 33.240 ( -0.864 -0.000 -0.504) 1.000 34.404 ( 0.810 0.000 -0.221) 0.839 34.826 ( -1.139 -0.000 -0.128) 1.146 49.713 ( -2.081 -0.000 0.141) 2.086 49.920 ( 9.490 0.000 -2.856) 9.911 ======================= Grid point 63 (56/105) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -21.119 0.000 -49.337) 53.667 2.795 ( -40.632 -0.000 7.451) 41.310 4.261 ( -31.025 0.000 -80.484) 86.256 6.152 ( -49.770 0.000 -83.152) 96.908 6.514 ( -2.334 -0.000 -2.348) 3.310 6.955 ( -7.622 0.000 -16.682) 18.341 7.649 ( 11.607 0.000 -5.869) 13.006 7.668 ( 5.248 0.000 -2.212) 5.695 8.026 ( 3.475 0.000 3.677) 5.060 8.419 ( -26.702 -0.000 61.770) 67.295 10.061 ( 4.051 0.000 -2.168) 4.595 10.606 ( 0.359 0.000 -8.204) 8.212 11.269 ( 3.450 0.000 -17.140) 17.484 11.691 ( 0.359 -0.000 60.385) 60.386 11.727 ( 5.517 -0.000 7.944) 9.672 12.149 ( -14.699 -0.000 3.003) 15.003 12.631 ( 5.415 0.000 -10.396) 11.722 12.651 ( -2.387 0.000 -19.745) 19.889 13.150 ( 35.570 0.000 10.764) 37.163 13.384 ( -5.071 -0.000 -2.768) 5.778 13.672 ( -9.322 -0.000 -6.339) 11.273 14.140 ( -4.222 -0.000 31.292) 31.576 14.351 ( -15.442 -0.000 33.079) 36.506 14.614 ( -4.506 0.000 -9.684) 10.681 15.555 ( -34.119 -0.000 19.767) 39.432 15.651 ( 1.882 -0.000 23.364) 23.440 16.450 ( 8.417 0.000 7.167) 11.055 16.732 ( 3.547 0.000 -10.182) 10.782 16.733 ( 4.080 0.000 -1.886) 4.495 16.890 ( -1.001 0.000 -2.653) 2.835 17.264 ( 5.361 0.000 -0.459) 5.380 17.600 ( 1.361 0.000 -10.849) 10.934 17.695 ( -8.478 -0.000 1.593) 8.626 17.974 ( 0.518 0.000 -17.424) 17.432 17.999 ( 8.821 0.000 -0.121) 8.821 18.158 ( -1.288 0.000 -7.857) 7.962 18.385 ( -5.902 -0.000 1.224) 6.027 18.738 ( 0.631 0.000 -12.235) 12.252 18.981 ( 7.173 -0.000 13.038) 14.880 19.257 ( -8.224 0.000 -11.004) 13.738 19.642 ( 0.509 0.000 -10.663) 10.675 19.821 ( -10.278 -0.000 12.021) 15.815 19.970 ( 4.936 0.000 1.332) 5.112 20.305 ( 0.528 -0.000 16.279) 16.288 20.469 ( 18.912 0.000 -25.641) 31.861 20.688 ( 5.807 -0.000 9.565) 11.190 20.924 ( -1.587 0.000 -11.671) 11.778 21.296 ( 16.743 0.000 8.301) 18.688 21.816 ( 4.022 0.000 -12.715) 13.336 22.004 ( -6.221 -0.000 0.273) 6.227 22.041 ( -2.332 -0.000 -1.895) 3.005 22.064 ( 1.857 0.000 -6.258) 6.527 22.140 ( 7.780 0.000 -5.269) 9.396 22.269 ( 1.592 -0.000 6.491) 6.684 22.358 ( 0.270 -0.000 2.706) 2.719 22.512 ( -6.960 -0.000 1.300) 7.080 22.853 ( 4.491 0.000 -8.486) 9.601 22.958 ( 2.245 -0.000 3.496) 4.155 23.038 ( -4.653 -0.000 6.367) 7.886 23.240 ( 17.821 0.000 -18.514) 25.698 23.553 ( -0.107 -0.000 4.637) 4.638 23.632 ( -9.670 -0.000 -5.626) 11.188 23.880 ( -7.823 -0.000 -3.609) 8.616 23.984 ( 2.507 -0.000 4.180) 4.874 24.110 ( 12.340 0.000 -1.412) 12.420 24.475 ( 8.339 -0.000 18.310) 20.119 24.607 ( -1.546 -0.000 9.129) 9.259 25.091 ( 2.686 0.000 -1.383) 3.021 25.111 ( -0.515 -0.000 17.241) 17.248 25.713 ( 5.489 0.000 5.790) 7.978 25.962 ( -6.103 -0.000 -0.633) 6.135 26.032 ( -8.635 -0.000 6.072) 10.556 26.696 ( 7.950 0.000 -13.698) 15.838 26.819 ( -0.140 0.000 -1.471) 1.477 28.135 ( -8.092 -0.000 -2.100) 8.360 28.443 ( -2.868 0.000 -6.009) 6.658 28.490 ( -0.904 -0.000 7.570) 7.624 28.727 ( -3.694 -0.000 -2.569) 4.499 29.418 ( 1.158 0.000 -0.528) 1.273 29.571 ( 3.872 0.000 2.326) 4.517 29.711 ( 1.435 0.000 0.232) 1.453 29.789 ( -0.948 0.000 -8.406) 8.459 29.997 ( -1.135 -0.000 1.096) 1.578 30.163 ( 1.023 0.000 -1.991) 2.239 30.786 ( 10.281 0.000 2.464) 10.572 30.903 ( 7.801 0.000 1.757) 7.996 31.195 ( -5.739 -0.000 0.263) 5.745 31.325 ( -7.562 -0.000 -0.839) 7.609 31.436 ( 12.269 0.000 -6.346) 13.813 31.998 ( -6.672 -0.000 5.008) 8.343 32.701 ( -0.442 -0.000 7.285) 7.298 32.765 ( -14.514 -0.000 -2.731) 14.769 34.389 ( 0.294 0.000 -0.690) 0.750 34.870 ( 0.163 -0.000 1.847) 1.854 49.591 ( -0.535 -0.000 -0.095) 0.543 50.048 ( 3.076 0.000 -11.296) 11.707 ======================= Grid point 64 (57/105) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 40.345 -0.523 -1.961) 40.396 5.659 ( 12.327 42.901 11.484) 46.090 6.151 ( -12.351 -11.517 1.460) 16.950 6.784 ( 5.005 11.118 -0.433) 12.200 6.984 ( 13.219 6.408 2.888) 14.972 7.059 ( 1.138 -10.850 -10.247) 14.967 7.226 ( 18.804 -16.361 21.915) 33.190 7.884 ( -12.248 2.849 -0.914) 12.609 8.259 ( 24.308 -9.874 -12.230) 28.948 9.135 ( 2.461 -12.707 -2.505) 13.184 10.020 ( -20.441 -7.399 -1.816) 21.814 10.319 ( -19.297 -3.866 -0.227) 19.682 11.121 ( -7.086 8.309 -18.716) 21.668 11.297 ( -14.210 -9.507 22.704) 28.421 11.691 ( 34.876 18.484 34.737) 52.580 12.071 ( 45.969 -11.125 -42.149) 63.352 12.835 ( 4.561 23.462 -2.662) 24.049 13.156 ( 9.948 15.521 -12.890) 22.495 13.213 ( 6.122 10.871 11.341) 16.860 13.546 ( 17.710 -9.999 3.379) 20.617 13.697 ( 19.066 -12.330 7.262) 23.838 14.212 ( 10.281 -26.564 0.225) 28.485 14.691 ( 11.574 -1.537 0.618) 11.692 15.025 ( -0.821 -2.115 -0.628) 2.354 15.392 ( 23.810 -0.972 -5.876) 24.543 16.062 ( -0.913 3.304 -0.258) 3.438 16.326 ( -3.923 -0.839 -0.697) 4.072 16.620 ( -5.111 13.227 -3.121) 14.520 16.985 ( -4.032 -9.960 -1.863) 10.906 17.069 ( -2.292 -7.097 7.920) 10.879 17.492 ( 6.354 26.231 1.335) 27.022 17.571 ( 0.587 0.709 4.037) 4.141 17.763 ( -10.836 -0.357 -3.650) 11.440 17.944 ( -3.600 3.059 -2.491) 5.340 18.076 ( -2.387 -18.920 0.183) 19.071 18.204 ( -10.529 14.512 3.400) 18.249 18.320 ( -9.274 -3.961 6.338) 11.910 18.522 ( -18.244 -4.406 -6.129) 19.744 18.746 ( -3.503 -11.772 -0.367) 12.288 18.942 ( 0.330 -5.790 0.189) 5.803 19.532 ( -10.263 8.170 -1.404) 13.193 19.663 ( -12.791 18.597 -0.604) 22.579 19.923 ( -1.106 21.115 -4.900) 21.704 20.254 ( 1.175 0.915 0.403) 1.543 20.347 ( 6.562 -0.168 -0.880) 6.622 20.597 ( 5.578 4.499 6.360) 9.581 20.661 ( -6.720 -20.468 -0.652) 21.553 21.071 ( -7.000 -13.649 -3.238) 15.677 21.354 ( 0.777 6.496 -1.849) 6.798 21.683 ( -0.505 -12.816 -0.651) 12.843 21.802 ( -7.787 -0.361 0.635) 7.821 21.869 ( -3.560 -2.537 1.451) 4.606 22.238 ( 0.382 -1.280 0.848) 1.582 22.341 ( -0.403 1.129 0.383) 1.258 22.376 ( -0.062 -1.234 -1.673) 2.080 22.577 ( -19.413 0.063 1.831) 19.499 22.712 ( 3.263 1.549 -2.341) 4.305 22.799 ( 4.315 -0.798 2.519) 5.060 22.927 ( -3.593 3.523 1.125) 5.156 23.042 ( -3.271 -3.441 -0.816) 4.817 23.587 ( 4.002 1.836 0.417) 4.423 23.640 ( 0.923 -0.641 1.244) 1.676 23.876 ( -1.891 3.208 2.846) 4.687 23.916 ( -6.135 -0.594 -2.813) 6.775 24.184 ( -5.882 4.592 -4.474) 8.701 24.253 ( 2.592 0.406 3.197) 4.136 24.558 ( -2.756 1.011 0.164) 2.941 24.757 ( -6.975 4.081 3.535) 8.820 24.979 ( 0.945 1.422 -7.482) 7.675 25.335 ( -2.074 -9.429 1.845) 9.829 26.230 ( 9.442 -0.343 -0.089) 9.449 26.338 ( 3.857 0.695 0.052) 3.920 26.763 ( 2.441 -0.119 -0.241) 2.456 26.781 ( 0.593 0.061 0.297) 0.666 28.418 ( 2.719 0.144 -0.866) 2.857 28.427 ( 2.557 -0.210 0.675) 2.653 28.741 ( 9.365 -0.483 0.969) 9.427 28.995 ( 2.389 -0.049 0.250) 2.403 29.343 ( -4.217 1.171 0.018) 4.377 29.422 ( -6.379 3.737 -1.217) 7.492 29.677 ( -1.640 4.782 -2.145) 5.492 29.810 ( -2.197 -7.425 4.148) 8.784 30.152 ( 0.494 4.703 -3.491) 5.878 30.162 ( -0.812 0.906 2.151) 2.472 30.399 ( -6.618 -1.850 3.198) 7.580 30.444 ( -5.060 -2.823 -2.128) 6.172 31.200 ( -2.552 2.868 2.126) 4.389 31.277 ( 1.033 -5.087 -1.628) 5.440 31.794 ( 5.177 7.178 1.615) 8.996 31.951 ( 4.976 -9.399 -2.310) 10.883 32.857 ( 5.083 7.492 -2.490) 9.389 33.048 ( 3.877 -5.534 1.669) 6.960 34.553 ( 0.441 6.477 0.886) 6.552 34.694 ( -0.089 -6.017 -1.007) 6.101 49.698 ( 1.552 0.774 -0.037) 1.735 50.029 ( -9.291 0.615 2.160) 9.559 ======================= Grid point 66 (58/105) ======================= q-point: ( 0.28 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.000 7.368 19.173) 20.540 2.729 ( 0.000 18.331 52.615) 55.717 3.029 ( 0.000 13.756 116.873) 117.680 4.996 ( -0.000 107.530 0.435) 107.531 6.508 ( 0.000 2.416 9.182) 9.494 6.891 ( -0.000 4.908 -1.691) 5.191 7.173 ( 0.000 -4.386 -4.945) 6.610 7.804 ( -0.000 -0.124 -0.923) 0.931 8.403 ( 0.000 -8.688 4.637) 9.848 9.134 ( -0.000 -12.372 -55.682) 57.040 9.330 ( 0.000 -37.141 -9.543) 38.348 11.007 ( -0.000 18.018 14.932) 23.402 11.156 ( -0.000 32.418 6.510) 33.065 11.381 ( 0.000 -15.660 29.855) 33.713 12.061 ( -0.000 5.570 1.376) 5.737 12.421 ( 0.000 -33.233 2.340) 33.316 12.526 ( 0.000 1.487 5.542) 5.737 12.709 ( 0.000 -14.739 -14.229) 20.487 12.748 ( -0.000 24.722 -3.575) 24.979 13.098 ( 0.000 -3.728 2.491) 4.483 13.660 ( 0.000 -20.610 -20.182) 28.846 13.866 ( 0.000 -34.165 -14.002) 36.923 14.723 ( -0.000 11.347 -13.099) 17.331 14.842 ( -0.000 0.248 -30.654) 30.655 15.888 ( 0.000 -14.613 -28.066) 31.642 16.043 ( -0.000 16.784 -13.921) 21.806 16.810 ( 0.000 -20.964 2.817) 21.152 16.836 ( 0.000 -10.840 3.521) 11.398 16.877 ( -0.000 1.173 0.168) 1.185 16.980 ( -0.000 6.473 -0.358) 6.483 17.121 ( -0.000 12.920 8.644) 15.545 17.417 ( -0.000 24.151 -6.019) 24.890 17.795 ( 0.000 5.482 21.211) 21.908 17.969 ( 0.000 -13.382 2.042) 13.537 18.100 ( -0.000 4.967 1.287) 5.131 18.186 ( -0.000 20.215 -7.618) 21.603 18.487 ( -0.000 9.379 20.130) 22.208 18.594 ( -0.000 9.625 9.526) 13.542 18.843 ( 0.000 -2.815 11.302) 11.647 18.889 ( 0.000 -22.246 5.333) 22.876 19.592 ( 0.000 -1.570 9.118) 9.252 19.859 ( -0.000 30.639 -14.886) 34.064 20.180 ( -0.000 11.215 9.684) 14.818 20.318 ( -0.000 3.276 -16.186) 16.514 20.722 ( 0.000 -47.524 -0.953) 47.533 20.840 ( 0.000 -4.670 -8.200) 9.437 20.905 ( -0.000 9.777 5.307) 11.125 20.974 ( 0.000 -2.862 -4.072) 4.977 21.346 ( 0.000 -11.816 5.748) 13.140 21.414 ( 0.000 -10.072 8.918) 13.452 21.748 ( 0.000 -1.391 13.790) 13.860 21.894 ( 0.000 -3.608 11.008) 11.584 22.227 ( 0.000 -7.677 -1.639) 7.850 22.393 ( -0.000 4.132 -7.577) 8.630 22.490 ( 0.000 0.705 5.146) 5.194 22.708 ( -0.000 4.633 -9.525) 10.593 22.765 ( -0.000 1.622 2.668) 3.122 23.018 ( 0.000 0.609 18.701) 18.711 23.086 ( -0.000 1.153 -1.425) 1.833 23.143 ( -0.000 14.336 7.538) 16.197 23.278 ( 0.000 0.788 2.809) 2.917 23.579 ( 0.000 -3.024 -3.390) 4.543 23.790 ( -0.000 2.118 0.976) 2.332 24.064 ( 0.000 -8.901 -0.380) 8.909 24.662 ( -0.000 13.511 -8.774) 16.110 24.681 ( 0.000 -8.943 -21.567) 23.348 25.070 ( -0.000 2.291 -15.528) 15.696 25.087 ( -0.000 4.726 7.808) 9.127 25.394 ( -0.000 -3.835 -10.523) 11.200 25.620 ( 0.000 -14.258 -3.329) 14.642 25.808 ( 0.000 -2.680 -2.136) 3.428 26.178 ( -0.000 2.353 -10.260) 10.526 26.346 ( 0.000 -3.548 18.750) 19.083 26.741 ( 0.000 2.214 10.140) 10.379 28.107 ( -0.000 3.082 0.359) 3.103 28.293 ( -0.000 1.794 -3.667) 4.082 28.511 ( -0.000 0.850 -0.645) 1.067 28.797 ( 0.000 0.447 4.116) 4.141 29.485 ( 0.000 1.529 4.765) 5.004 29.645 ( -0.000 -0.541 -1.399) 1.500 29.747 ( -0.000 0.529 -0.862) 1.011 29.877 ( -0.000 0.413 0.372) 0.556 29.918 ( -0.000 7.606 0.328) 7.613 30.279 ( -0.000 4.957 -4.048) 6.400 30.777 ( 0.000 -7.449 -0.668) 7.479 30.864 ( 0.000 -6.092 0.145) 6.094 31.198 ( -0.000 8.552 3.079) 9.089 31.308 ( 0.000 0.360 1.491) 1.534 31.451 ( -0.000 3.418 4.276) 5.474 31.790 ( 0.000 -10.960 -3.762) 11.587 32.333 ( 0.000 -3.130 5.802) 6.592 32.934 ( -0.000 3.845 -4.038) 5.576 34.494 ( -0.000 4.819 0.500) 4.845 34.784 ( 0.000 -5.021 -1.815) 5.339 49.667 ( 0.000 0.096 1.335) 1.338 50.794 ( -0.000 10.601 -19.090) 21.836 ======================= Grid point 67 (59/105) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 43.960 -54.111 -0.000) 69.717 5.320 ( 29.993 6.108 0.000) 30.609 5.523 ( -19.620 -3.869 -0.000) 19.997 6.769 ( 18.549 9.873 0.000) 21.013 7.125 ( 11.512 -6.966 -0.000) 13.456 7.171 ( -11.852 -1.663 -0.000) 11.968 7.328 ( 9.413 1.994 0.000) 9.622 7.720 ( 30.083 9.566 0.000) 31.567 9.228 ( -6.842 21.962 0.000) 23.003 9.531 ( -33.903 9.412 0.000) 35.185 9.818 ( 23.997 11.485 0.000) 26.604 10.086 ( -7.743 17.748 0.000) 19.364 10.793 ( 17.577 -7.672 -0.000) 19.179 11.579 ( -11.484 -38.341 -0.000) 40.024 11.656 ( 2.731 -12.159 -0.000) 12.462 12.124 ( 14.598 -2.759 -0.000) 14.856 12.512 ( -12.568 -7.449 -0.000) 14.609 12.907 ( -5.293 -14.868 -0.000) 15.782 13.413 ( 14.336 0.423 -0.000) 14.342 13.913 ( -3.791 -20.169 -0.000) 20.522 13.936 ( -17.025 37.650 0.000) 41.320 14.671 ( 2.134 11.911 0.000) 12.101 15.152 ( 25.247 5.165 0.000) 25.770 15.390 ( 15.957 41.723 0.000) 44.670 15.625 ( -49.410 3.001 0.000) 49.501 16.085 ( -13.208 -1.397 -0.000) 13.282 16.286 ( 14.933 26.199 0.000) 30.156 16.865 ( 14.002 -12.119 -0.000) 18.519 16.989 ( -2.938 -14.949 -0.000) 15.235 17.059 ( -5.199 -6.053 -0.000) 7.979 17.131 ( 2.627 8.346 0.000) 8.750 17.459 ( 1.434 -4.676 -0.000) 4.891 17.669 ( 5.673 -25.936 -0.000) 26.549 17.947 ( 7.298 -1.136 -0.000) 7.386 17.954 ( 15.852 -16.283 -0.000) 22.725 18.271 ( 9.397 -31.608 -0.000) 32.975 18.642 ( -17.322 7.602 0.000) 18.917 18.785 ( 5.672 -1.480 -0.000) 5.862 18.897 ( -12.434 -9.995 -0.000) 15.953 19.161 ( -3.199 5.610 0.000) 6.458 19.286 ( -1.028 10.214 0.000) 10.265 19.443 ( 0.981 8.289 0.000) 8.347 19.640 ( -17.427 1.258 0.000) 17.472 20.147 ( 3.400 5.077 0.000) 6.110 20.236 ( 6.347 4.137 0.000) 7.576 20.351 ( -3.565 7.440 0.000) 8.251 20.458 ( -13.773 3.435 0.000) 14.195 20.924 ( -4.695 -16.229 -0.000) 16.894 21.160 ( -7.940 6.875 0.000) 10.503 21.380 ( 0.944 -5.164 -0.000) 5.250 21.847 ( 9.385 24.996 0.000) 26.700 21.899 ( -0.604 0.714 0.000) 0.936 22.030 ( 6.192 -0.392 -0.000) 6.205 22.313 ( 0.298 2.949 0.000) 2.964 22.507 ( 2.641 0.757 0.000) 2.747 22.509 ( 0.248 -3.089 -0.000) 3.099 22.810 ( 2.120 -3.430 -0.000) 4.032 22.866 ( 0.571 -0.131 -0.000) 0.585 22.914 ( -6.286 -0.215 0.000) 6.290 23.175 ( -9.420 4.134 0.000) 10.287 23.629 ( 2.489 1.991 0.000) 3.187 23.708 ( 3.916 -4.335 -0.000) 5.842 23.724 ( -8.255 -3.505 -0.000) 8.968 23.916 ( 3.656 -5.839 -0.000) 6.889 24.070 ( 4.017 -0.139 -0.000) 4.019 24.097 ( -5.001 -2.165 -0.000) 5.449 24.566 ( 9.711 -9.671 -0.000) 13.705 24.575 ( -14.005 2.958 0.000) 14.314 24.898 ( -9.393 3.798 0.000) 10.132 25.549 ( -2.582 8.629 0.000) 9.008 26.405 ( 4.798 -0.284 -0.000) 4.807 26.464 ( -2.464 -0.491 -0.000) 2.512 26.654 ( 6.440 -0.140 -0.000) 6.442 26.707 ( -1.660 -0.843 -0.000) 1.861 28.331 ( 5.535 -2.473 -0.000) 6.062 28.566 ( -2.864 0.953 0.000) 3.018 29.015 ( 4.582 4.954 0.000) 6.748 29.097 ( 2.373 3.668 0.000) 4.368 29.332 ( -3.463 -10.276 -0.000) 10.844 29.383 ( -1.870 -2.667 -0.000) 3.257 29.558 ( 1.064 2.100 0.000) 2.354 29.641 ( 2.734 2.209 0.000) 3.515 29.964 ( -6.946 -5.022 -0.000) 8.571 30.007 ( 3.515 0.001 -0.000) 3.515 30.361 ( -2.714 -0.745 -0.000) 2.814 30.542 ( -0.809 2.663 0.000) 2.783 31.062 ( 3.716 -2.367 -0.000) 4.405 31.471 ( -0.028 6.087 0.000) 6.087 31.754 ( 3.737 -3.909 -0.000) 5.408 32.246 ( -1.995 8.336 0.000) 8.571 32.788 ( -3.983 -7.690 -0.000) 8.660 33.192 ( 2.377 5.336 0.000) 5.842 34.436 ( 0.905 -5.405 -0.000) 5.480 34.832 ( -1.315 4.150 0.000) 4.353 49.772 ( -3.006 -4.409 -0.000) 5.336 49.777 ( 7.819 0.036 -0.000) 7.819 ======================= Grid point 68 (60/105) ======================= q-point: (-0.32 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -41.877 -1.594 2.411) 41.976 4.929 ( -17.917 -39.107 -25.377) 49.943 5.617 ( -30.049 7.464 50.793) 59.486 6.706 ( 10.730 8.730 -2.916) 14.137 6.889 ( -1.949 3.216 -1.385) 4.008 7.101 ( -18.196 0.970 2.053) 18.337 7.741 ( -10.526 9.185 3.906) 14.505 7.938 ( -6.211 3.900 -22.254) 23.431 8.149 ( -11.527 -2.201 -23.131) 25.938 9.092 ( -28.994 7.026 32.501) 44.117 9.544 ( -26.880 22.128 14.021) 37.534 10.797 ( 7.170 -2.534 0.301) 7.610 10.963 ( 42.439 9.463 2.767) 43.569 11.251 ( 11.894 -7.215 -14.619) 20.180 11.775 ( -1.742 -13.876 -24.603) 28.300 12.103 ( -0.259 -2.213 11.259) 11.478 12.254 ( -6.833 -13.989 6.825) 16.999 12.337 ( 4.781 5.142 -0.953) 7.085 12.930 ( -16.546 -4.274 2.143) 17.223 13.508 ( -9.782 9.135 -2.944) 13.704 13.966 ( -16.238 -0.639 -6.539) 17.517 14.251 ( -13.876 12.154 -8.733) 20.409 14.652 ( -36.472 13.816 -3.390) 39.149 14.852 ( -1.733 -12.651 9.893) 16.153 15.069 ( 3.992 13.872 -7.640) 16.333 15.574 ( -23.421 -17.612 2.789) 29.437 16.440 ( 3.795 -4.557 -7.699) 9.719 16.852 ( 0.912 -8.715 -2.816) 9.204 16.930 ( 10.214 5.308 -8.351) 14.221 17.268 ( -3.405 -2.691 3.295) 5.449 17.365 ( 0.040 0.065 -7.424) 7.424 17.505 ( 5.216 0.119 -13.027) 14.033 17.871 ( 10.413 2.111 10.914) 15.232 17.965 ( -8.033 7.183 -0.080) 10.776 18.049 ( 3.118 -5.865 -7.273) 9.850 18.475 ( 3.813 -38.646 -1.673) 38.870 18.615 ( 6.759 12.281 1.757) 14.128 18.689 ( 2.757 4.660 -2.375) 5.912 18.960 ( 19.888 -2.112 2.549) 20.161 19.000 ( -1.976 9.381 -0.456) 9.598 19.451 ( -6.187 9.462 11.253) 15.951 19.602 ( 7.515 5.632 15.724) 18.316 19.877 ( 5.460 -8.223 8.571) 13.072 19.972 ( 3.164 -1.157 2.929) 4.464 20.227 ( -6.074 -7.577 -6.984) 11.962 20.620 ( 16.965 -3.054 2.082) 17.363 20.818 ( 6.882 -10.871 12.113) 17.671 21.117 ( 8.305 1.467 -4.767) 9.687 21.508 ( -1.309 0.838 20.648) 20.707 21.794 ( 2.328 7.855 4.702) 9.446 21.987 ( -2.636 7.667 -2.813) 8.581 22.006 ( -0.529 11.325 3.496) 11.864 22.220 ( -2.312 6.488 0.986) 6.958 22.247 ( -0.893 -2.302 1.951) 3.147 22.397 ( 3.348 0.894 -3.890) 5.209 22.562 ( 0.161 0.450 -3.286) 3.321 22.801 ( -4.912 -0.422 -4.788) 6.872 23.052 ( 12.642 3.001 0.181) 12.994 23.101 ( 10.676 -0.802 0.471) 10.716 23.278 ( 7.930 3.009 -2.139) 8.747 23.509 ( -2.872 -5.663 -7.036) 9.478 23.651 ( -4.041 3.289 0.040) 5.210 23.762 ( -6.271 -2.091 6.240) 9.090 23.841 ( 4.319 -7.494 -0.221) 8.652 24.231 ( 4.035 -6.346 -7.494) 10.617 24.407 ( 10.355 -5.729 -5.096) 12.885 24.517 ( -4.811 4.749 0.692) 6.795 24.875 ( 8.646 -3.885 -5.451) 10.935 24.971 ( 9.434 0.530 1.589) 9.582 25.529 ( -1.326 6.584 -0.082) 6.716 26.011 ( -9.469 -0.338 2.069) 9.698 26.235 ( -6.405 -1.384 -3.753) 7.552 26.547 ( -2.716 -0.048 10.835) 11.171 26.880 ( 2.249 0.633 -0.196) 2.344 28.319 ( -3.183 0.138 -0.104) 3.188 28.408 ( -6.179 0.846 -2.719) 6.804 28.698 ( -4.200 4.038 -3.815) 6.964 28.964 ( -3.111 1.715 -0.482) 3.585 29.279 ( 1.446 -10.198 2.649) 10.635 29.471 ( 4.751 -0.395 -1.930) 5.143 29.671 ( 2.900 0.178 -0.486) 2.945 29.851 ( -2.367 -3.121 9.785) 10.539 30.125 ( 4.491 4.138 -6.061) 8.604 30.288 ( 4.775 -2.161 -4.994) 7.239 30.527 ( 6.785 -0.548 1.150) 6.904 30.688 ( 5.752 7.929 -1.062) 9.852 31.233 ( -4.149 0.320 2.285) 4.747 31.350 ( 7.305 0.974 -1.813) 7.589 31.596 ( -7.020 -5.070 -2.022) 8.892 31.915 ( -8.821 7.406 3.590) 12.064 32.509 ( -6.259 -6.851 5.453) 10.763 33.078 ( -5.437 2.674 -2.885) 6.710 34.485 ( 0.846 -4.078 -2.139) 4.682 34.750 ( -0.705 3.382 1.748) 3.872 49.659 ( -0.821 -1.010 -0.573) 1.422 50.382 ( 12.316 1.280 -9.444) 15.573 ======================= Grid point 74 (61/105) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( -40.419 -8.893 -0.000) 41.386 5.479 ( -61.482 9.205 0.000) 62.167 6.237 ( 2.483 -22.180 -0.000) 22.318 6.479 ( 11.060 -12.623 -0.000) 16.782 6.637 ( -13.740 50.813 0.000) 52.638 7.243 ( -4.036 17.772 0.000) 18.225 7.469 ( -3.425 6.461 0.000) 7.313 7.607 ( 8.562 3.828 0.000) 9.379 8.746 ( 4.128 -16.266 -0.000) 16.782 8.766 ( -64.095 23.173 0.000) 68.155 9.631 ( 10.745 4.570 0.000) 11.676 10.263 ( 27.715 -1.380 -0.000) 27.749 11.007 ( 7.829 6.744 0.000) 10.334 11.213 ( -17.041 -16.439 -0.000) 23.678 12.032 ( -10.627 5.437 0.000) 11.937 12.503 ( 1.764 -30.473 -0.000) 30.524 12.525 ( -5.171 -3.307 -0.000) 6.138 12.878 ( 16.159 -14.965 -0.000) 22.024 13.184 ( -20.785 -10.270 -0.000) 23.183 13.588 ( -21.375 10.617 0.000) 23.867 14.190 ( -5.987 13.943 0.000) 15.174 14.323 ( 3.986 12.778 0.000) 13.385 14.649 ( 4.769 4.448 0.000) 6.521 14.884 ( -6.584 7.429 0.000) 9.927 15.014 ( -12.650 -23.086 -0.000) 26.325 16.297 ( 7.348 -4.215 -0.000) 8.471 16.620 ( 11.011 5.405 0.000) 12.266 16.740 ( 2.543 20.330 0.000) 20.489 17.008 ( -2.072 0.546 0.000) 2.142 17.261 ( 2.687 -12.774 -0.000) 13.054 17.675 ( -2.783 5.643 0.000) 6.292 17.815 ( 16.020 2.194 0.000) 16.169 18.006 ( 4.021 -4.958 -0.000) 6.384 18.097 ( -10.562 2.389 0.000) 10.828 18.169 ( -1.811 12.498 0.000) 12.628 18.276 ( 6.176 -4.926 -0.000) 7.900 18.551 ( -6.580 7.381 0.000) 9.889 18.685 ( 6.160 -7.505 -0.000) 9.709 18.706 ( -10.793 3.019 0.000) 11.207 19.040 ( -12.172 12.973 0.000) 17.789 19.435 ( 15.504 -8.040 -0.000) 17.465 19.453 ( -18.158 -12.891 -0.000) 22.268 19.514 ( 0.545 -48.018 -0.000) 48.021 19.855 ( 7.711 -4.215 -0.000) 8.787 20.079 ( 6.454 8.137 0.000) 10.386 20.242 ( 0.122 -8.661 -0.000) 8.661 20.582 ( 13.047 -4.699 -0.000) 13.867 20.860 ( 6.456 26.220 0.000) 27.003 21.230 ( -0.223 -11.760 -0.000) 11.762 21.520 ( -0.843 12.305 0.000) 12.333 21.758 ( -1.249 4.524 0.000) 4.693 21.843 ( 5.251 4.296 0.000) 6.785 22.027 ( -7.523 9.351 0.000) 12.002 22.306 ( 7.327 -0.019 -0.000) 7.327 22.457 ( -3.068 -1.321 -0.000) 3.340 22.603 ( 3.845 1.434 0.000) 4.104 22.911 ( 0.027 1.938 0.000) 1.938 23.013 ( 5.998 1.892 0.000) 6.289 23.018 ( 0.514 -2.111 -0.000) 2.172 23.191 ( 11.690 -4.842 -0.000) 12.653 23.573 ( 2.007 -1.065 -0.000) 2.272 23.791 ( -12.753 4.389 0.000) 13.487 23.891 ( -1.467 0.854 0.000) 1.697 24.092 ( 16.617 0.567 -0.000) 16.627 24.149 ( 7.821 4.212 0.000) 8.883 24.350 ( 4.473 -10.432 -0.000) 11.351 24.376 ( -1.042 7.134 0.000) 7.210 24.558 ( 9.626 -9.695 -0.000) 13.662 25.115 ( 6.268 -14.851 -0.000) 16.119 25.320 ( 1.745 11.781 0.000) 11.910 26.250 ( -8.445 -2.574 -0.000) 8.828 26.456 ( -6.416 0.541 0.000) 6.439 26.523 ( -3.872 -0.138 0.000) 3.874 26.729 ( -2.210 0.325 0.000) 2.233 28.366 ( -4.221 3.737 0.000) 5.637 28.583 ( 3.898 -1.682 -0.000) 4.246 28.826 ( -8.950 1.433 0.000) 9.064 28.903 ( -7.060 1.807 0.000) 7.287 29.431 ( 0.281 -3.812 -0.000) 3.822 29.467 ( 4.214 -0.509 -0.000) 4.245 29.610 ( 2.896 -0.947 -0.000) 3.046 29.810 ( -4.751 -7.444 -0.000) 8.832 29.890 ( 11.311 8.741 0.000) 14.295 30.267 ( 8.261 0.426 -0.000) 8.272 30.455 ( 4.357 -3.505 -0.000) 5.591 30.501 ( 0.855 7.023 0.000) 7.075 31.185 ( -3.785 6.282 0.000) 7.335 31.305 ( 4.013 -1.893 -0.000) 4.437 31.869 ( -8.382 7.781 0.000) 11.437 31.885 ( -2.715 -8.998 -0.000) 9.399 32.744 ( -8.519 -10.857 -0.000) 13.800 33.101 ( -0.842 6.093 0.000) 6.151 34.615 ( 1.655 -7.118 -0.000) 7.308 34.663 ( -2.033 6.086 0.000) 6.416 49.692 ( -2.040 0.300 0.000) 2.062 50.208 ( 15.780 5.866 0.000) 16.835 ======================= Grid point 75 (62/105) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.000 -0.579 0.900) 1.070 4.607 ( 0.000 19.234 76.276) 78.663 5.321 ( 0.000 -11.399 30.469) 32.531 5.670 ( 0.000 -7.517 37.069) 37.824 6.676 ( -0.000 6.392 -7.345) 9.737 6.819 ( -0.000 6.575 -4.983) 8.250 7.400 ( -0.000 -9.955 -54.395) 55.299 7.969 ( -0.000 54.061 22.204) 58.443 7.993 ( -0.000 -0.240 -16.451) 16.452 8.294 ( 0.000 -7.780 7.281) 10.656 8.815 ( 0.000 -7.049 3.451) 7.849 11.217 ( -0.000 0.626 -62.125) 62.128 11.420 ( 0.000 -26.874 8.179) 28.091 11.941 ( -0.000 11.983 10.639) 16.025 11.974 ( 0.000 -0.991 8.469) 8.527 12.048 ( -0.000 20.403 10.973) 23.167 12.234 ( 0.000 -3.920 -5.302) 6.593 12.465 ( 0.000 -20.060 -15.566) 25.391 12.865 ( 0.000 -6.363 15.976) 17.197 12.960 ( -0.000 11.370 -1.812) 11.513 13.280 ( -0.000 12.655 1.978) 12.809 13.489 ( 0.000 -7.665 -0.939) 7.722 14.156 ( -0.000 0.668 -33.411) 33.418 14.784 ( -0.000 20.626 -11.072) 23.410 15.258 ( 0.000 -24.234 3.062) 24.427 15.625 ( 0.000 -31.749 -5.116) 32.159 16.696 ( 0.000 -7.656 -0.774) 7.695 16.824 ( -0.000 13.490 -2.288) 13.682 16.984 ( 0.000 0.217 7.139) 7.142 17.130 ( -0.000 13.077 -4.571) 13.853 17.302 ( 0.000 -4.591 -0.040) 4.591 17.630 ( -0.000 16.637 -13.753) 21.586 17.711 ( 0.000 -12.358 4.238) 13.064 18.179 ( -0.000 -1.368 -9.659) 9.756 18.347 ( -0.000 23.342 -4.655) 23.802 18.452 ( 0.000 -14.331 0.491) 14.340 18.456 ( 0.000 8.045 26.756) 27.939 18.877 ( -0.000 7.655 1.435) 7.789 19.007 ( -0.000 11.811 7.038) 13.749 19.037 ( 0.000 -8.627 10.056) 13.250 19.562 ( 0.000 -55.367 -0.152) 55.367 19.749 ( -0.000 4.535 -7.666) 8.907 19.939 ( 0.000 -3.471 -3.815) 5.158 20.230 ( 0.000 3.385 11.191) 11.692 20.486 ( 0.000 -8.642 -6.524) 10.828 20.734 ( -0.000 28.241 -3.031) 28.404 21.057 ( 0.000 0.424 6.884) 6.897 21.321 ( -0.000 19.160 1.297) 19.204 21.333 ( 0.000 -6.370 8.121) 10.321 21.524 ( 0.000 -7.017 17.642) 18.987 21.959 ( 0.000 0.222 6.729) 6.733 22.042 ( 0.000 -4.301 -1.250) 4.479 22.075 ( 0.000 -2.248 9.716) 9.972 22.323 ( -0.000 2.371 -5.700) 6.173 22.571 ( -0.000 3.039 -10.206) 10.648 22.633 ( 0.000 1.280 4.202) 4.392 22.758 ( 0.000 -5.769 0.259) 5.775 23.157 ( -0.000 4.712 -0.367) 4.726 23.349 ( 0.000 -0.655 -1.069) 1.254 23.418 ( 0.000 -4.329 20.544) 20.995 23.456 ( 0.000 -2.788 6.123) 6.728 23.565 ( -0.000 11.904 7.017) 13.819 23.868 ( -0.000 2.639 3.678) 4.527 23.960 ( 0.000 -5.618 2.937) 6.340 24.014 ( -0.000 -6.705 -19.602) 20.717 24.554 ( -0.000 -2.688 -13.205) 13.476 24.712 ( -0.000 2.230 -23.783) 23.887 25.102 ( -0.000 -1.119 -8.652) 8.724 25.291 ( 0.000 -11.269 -2.639) 11.574 25.381 ( -0.000 9.689 4.048) 10.500 25.751 ( 0.000 -1.189 0.150) 1.199 26.048 ( -0.000 1.215 -5.573) 5.704 26.630 ( 0.000 -3.922 14.465) 14.987 26.937 ( -0.000 2.814 3.600) 4.569 28.177 ( -0.000 2.776 -3.358) 4.357 28.207 ( 0.000 -0.170 0.410) 0.444 28.540 ( -0.000 3.692 -2.545) 4.484 28.890 ( 0.000 0.417 2.195) 2.234 29.518 ( 0.000 -9.782 5.817) 11.381 29.606 ( -0.000 -0.417 -1.163) 1.236 29.734 ( -0.000 0.429 -1.082) 1.164 29.841 ( 0.000 -5.740 6.076) 8.358 30.093 ( -0.000 11.190 -9.039) 14.385 30.283 ( -0.000 6.545 -4.436) 7.907 30.663 ( 0.000 -1.775 1.158) 2.120 30.804 ( 0.000 -0.268 -0.121) 0.294 31.316 ( 0.000 -3.466 1.903) 3.954 31.455 ( -0.000 8.726 4.741) 9.930 31.504 ( 0.000 -9.016 -4.331) 10.003 31.580 ( -0.000 3.037 2.078) 3.680 32.416 ( 0.000 -3.789 8.294) 9.118 32.879 ( -0.000 2.636 -6.915) 7.401 34.562 ( 0.000 -1.152 -1.135) 1.617 34.686 ( -0.000 0.907 0.308) 0.958 49.681 ( 0.000 -1.631 0.996) 1.911 50.628 ( -0.000 4.398 -12.398) 13.155 ======================= Grid point 76 (63/105) ======================= q-point: (-0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.328 ( 39.771 4.975 4.554) 40.339 5.439 ( 18.421 -60.796 -9.112) 64.175 5.916 ( 17.708 -3.796 -24.165) 30.198 6.565 ( 13.072 3.064 -4.121) 14.045 6.746 ( 1.945 -2.263 -10.264) 10.689 7.097 ( 7.101 1.664 0.818) 7.339 7.253 ( -0.106 3.367 4.302) 5.464 7.837 ( -13.062 -2.071 -4.872) 14.094 8.851 ( 17.870 23.316 27.202) 40.037 9.194 ( -6.783 10.203 5.924) 13.609 9.924 ( 26.254 4.359 -25.419) 36.802 10.288 ( -14.978 5.249 7.602) 17.598 10.803 ( 2.589 2.885 -17.280) 17.709 11.097 ( -2.998 -6.553 -14.705) 16.376 11.515 ( -2.040 -10.449 17.021) 20.077 12.738 ( 1.938 -20.624 2.369) 20.849 12.805 ( 8.751 13.409 6.907) 17.438 13.042 ( 1.991 3.895 -1.645) 4.673 13.334 ( 16.218 -21.918 2.896) 27.419 13.526 ( 19.853 4.204 0.946) 20.315 13.654 ( 20.209 7.094 6.354) 22.340 14.249 ( 12.872 24.934 2.662) 28.187 14.759 ( 14.017 2.283 5.354) 15.178 15.018 ( -2.096 -4.434 -6.000) 7.749 15.438 ( 17.351 13.536 0.705) 22.018 16.140 ( -4.430 -3.416 8.088) 9.834 16.470 ( -3.165 7.379 11.502) 14.028 16.692 ( -11.442 -16.020 2.460) 19.839 16.846 ( 1.985 17.028 -8.900) 19.315 17.183 ( -16.241 -3.624 1.270) 16.689 17.278 ( 7.400 -9.302 3.250) 12.323 17.478 ( -0.385 -14.121 -6.178) 15.419 17.769 ( -0.069 -6.794 0.903) 6.854 17.994 ( -4.195 -14.041 -3.255) 15.012 18.102 ( 0.695 18.934 2.974) 19.178 18.183 ( -5.347 -11.095 -1.070) 12.362 18.320 ( -2.016 3.654 7.139) 8.270 18.605 ( -6.330 7.231 2.464) 9.921 18.880 ( -2.160 9.584 9.566) 13.712 18.998 ( -5.232 7.280 2.121) 9.213 19.442 ( -6.937 -0.558 -2.977) 7.570 19.782 ( -8.713 -39.783 2.967) 40.834 20.021 ( -1.196 -6.040 -15.857) 17.011 20.043 ( -12.988 1.560 2.445) 13.308 20.285 ( 13.816 7.116 -2.398) 15.725 20.489 ( -10.031 -3.746 -3.191) 11.173 20.643 ( -1.224 23.631 -2.774) 23.825 21.078 ( -6.231 7.351 -5.802) 11.249 21.356 ( 0.925 2.927 1.091) 3.258 21.582 ( -1.716 8.284 -7.140) 11.071 21.843 ( -3.020 2.188 -0.937) 3.845 21.925 ( 2.016 -2.064 2.968) 4.139 22.195 ( -10.218 0.712 -16.870) 19.736 22.240 ( 1.304 -0.473 4.834) 5.029 22.308 ( -1.073 -0.997 -2.252) 2.686 22.516 ( -3.610 -0.581 -0.246) 3.665 22.764 ( -2.436 0.053 2.776) 3.693 22.893 ( 5.101 -0.824 5.635) 7.645 22.937 ( -3.853 -5.971 2.767) 7.625 23.088 ( -5.915 5.124 4.668) 9.113 23.584 ( -4.516 0.203 -4.224) 6.186 23.604 ( 6.363 -4.416 1.929) 7.982 23.843 ( -1.688 -0.502 0.200) 1.772 23.967 ( -9.794 -1.146 2.239) 10.111 24.203 ( -1.183 -3.870 0.513) 4.079 24.337 ( 4.793 1.418 5.680) 7.566 24.523 ( -3.469 -8.602 -3.191) 9.808 24.695 ( -10.715 5.825 -2.230) 12.398 25.147 ( -1.941 -3.191 6.451) 7.454 25.303 ( -2.717 11.877 -0.398) 12.190 26.216 ( 8.265 0.224 -0.276) 8.273 26.351 ( 3.531 -0.429 1.354) 3.805 26.637 ( 5.817 0.066 -6.379) 8.633 26.844 ( -0.293 -0.293 0.595) 0.725 28.376 ( 3.547 -0.874 -2.580) 4.472 28.485 ( 1.199 1.153 3.761) 4.112 28.733 ( 9.805 -1.090 0.318) 9.871 28.993 ( 3.482 -0.162 -0.099) 3.487 29.375 ( -4.545 -1.080 2.639) 5.365 29.466 ( -5.979 -1.466 2.945) 6.824 29.693 ( -3.102 -4.841 -2.729) 6.364 29.700 ( -0.918 3.590 -3.399) 5.028 30.055 ( 0.811 -1.687 -4.979) 5.319 30.269 ( 1.793 -5.004 3.152) 6.179 30.338 ( -8.363 3.253 -1.285) 9.065 30.492 ( -5.873 2.626 2.266) 6.821 31.152 ( -1.309 -3.490 -2.511) 4.494 31.311 ( 0.556 4.583 1.707) 4.922 31.765 ( 6.191 -6.553 -1.155) 9.088 32.002 ( 3.635 9.964 2.523) 10.902 32.904 ( 4.026 -4.059 1.900) 6.025 33.013 ( 4.241 4.202 -1.597) 6.180 34.541 ( 0.874 -6.715 -0.316) 6.779 34.717 ( -0.562 6.461 1.150) 6.586 49.695 ( 1.884 -0.613 -0.341) 2.011 50.012 ( -9.210 -5.463 0.486) 10.720 ======================= Grid point 77 (64/105) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -42.912 -0.000 6.747) 43.440 3.704 ( -27.648 0.000 -42.872) 51.014 6.377 ( -19.410 0.000 -54.872) 58.204 6.535 ( -8.784 -0.000 15.829) 18.103 6.869 ( 5.630 0.000 -5.876) 8.138 7.079 ( 0.807 0.000 -10.391) 10.423 7.317 ( -8.869 -0.000 25.645) 27.135 7.886 ( 5.591 0.000 -0.046) 5.591 8.177 ( -20.803 -0.000 14.620) 25.427 9.429 ( -41.494 -0.000 -34.671) 54.072 10.279 ( -10.723 0.000 -34.037) 35.687 10.576 ( -40.590 -0.000 69.141) 80.175 10.754 ( 1.735 0.000 -8.632) 8.805 11.318 ( 39.531 0.000 9.651) 40.692 11.385 ( 9.397 0.000 -5.864) 11.076 12.146 ( 30.199 0.000 -7.275) 31.063 12.185 ( 4.815 -0.000 6.210) 7.857 12.682 ( -4.428 -0.000 17.652) 18.199 12.836 ( -11.070 -0.000 -6.494) 12.834 13.489 ( -2.094 -0.000 -2.174) 3.018 13.975 ( -20.362 -0.000 7.767) 21.793 14.231 ( -16.744 -0.000 -4.303) 17.288 14.602 ( -42.398 -0.000 -7.473) 43.052 15.079 ( -10.031 -0.000 -8.946) 13.441 15.132 ( -0.807 -0.000 21.282) 21.298 15.700 ( -22.673 -0.000 18.040) 28.974 16.235 ( 6.023 0.000 -3.196) 6.818 16.632 ( 5.957 0.000 -0.409) 5.971 16.862 ( 7.293 0.000 -4.861) 8.765 17.012 ( 1.463 0.000 -14.301) 14.375 17.287 ( -0.533 0.000 -4.217) 4.251 17.562 ( 3.636 -0.000 12.105) 12.639 17.771 ( 3.868 0.000 -9.847) 10.579 17.981 ( 11.933 0.000 -6.066) 13.387 18.011 ( -4.908 -0.000 -3.338) 5.936 18.278 ( 2.841 -0.000 17.286) 17.518 18.617 ( -3.918 0.000 -11.339) 11.997 18.697 ( -2.225 -0.000 -1.145) 2.503 18.786 ( 7.729 0.000 -10.028) 12.661 19.300 ( 14.327 0.000 11.376) 18.294 19.744 ( 6.508 0.000 -3.887) 7.581 19.825 ( 7.497 0.000 -1.888) 7.731 19.956 ( 0.975 -0.000 14.225) 14.259 20.023 ( -12.079 -0.000 5.966) 13.472 20.226 ( 4.384 -0.000 10.617) 11.487 20.439 ( 24.184 0.000 -16.481) 29.266 20.811 ( 9.441 0.000 6.005) 11.189 21.090 ( 6.320 0.000 0.023) 6.320 21.862 ( 2.490 -0.000 10.137) 10.438 21.904 ( 2.887 0.000 -0.697) 2.970 21.953 ( 3.164 0.000 -1.183) 3.378 22.175 ( -2.701 0.000 -3.678) 4.563 22.285 ( -2.384 0.000 -6.082) 6.533 22.345 ( -3.446 -0.000 3.038) 4.594 22.356 ( 0.979 0.000 0.785) 1.255 22.584 ( -8.162 -0.000 4.472) 9.307 22.720 ( -2.703 -0.000 1.335) 3.015 22.940 ( 8.443 0.000 -7.952) 11.598 23.136 ( 25.412 0.000 -8.835) 26.904 23.172 ( -6.969 -0.000 -5.474) 8.861 23.388 ( 5.854 0.000 4.330) 7.282 23.665 ( 2.123 0.000 1.144) 2.412 23.808 ( 4.790 0.000 1.829) 5.127 23.938 ( -1.374 0.000 -3.970) 4.201 24.012 ( 3.240 -0.000 10.260) 10.759 24.245 ( -0.013 0.000 -2.234) 2.234 24.551 ( 5.779 0.000 -3.926) 6.986 24.883 ( -2.552 -0.000 8.677) 9.044 24.996 ( 5.680 0.000 1.189) 5.803 25.598 ( -0.018 -0.000 0.632) 0.633 26.102 ( -9.145 -0.000 4.710) 10.286 26.131 ( -7.375 -0.000 -3.513) 8.169 26.749 ( -0.512 -0.000 7.505) 7.522 26.799 ( 3.534 0.000 -7.860) 8.619 28.332 ( -6.216 -0.000 -0.185) 6.219 28.396 ( -2.371 -0.000 2.072) 3.149 28.640 ( -4.835 -0.000 -5.140) 7.056 28.883 ( -4.713 -0.000 -4.333) 6.402 29.295 ( 3.525 -0.000 5.557) 6.581 29.446 ( 5.189 0.000 0.229) 5.194 29.669 ( 2.253 0.000 0.196) 2.262 29.994 ( -2.966 -0.000 5.295) 6.069 30.011 ( 0.204 0.000 -8.841) 8.844 30.168 ( 3.994 0.000 -3.621) 5.391 30.541 ( 9.408 0.000 1.463) 9.521 30.737 ( 8.263 0.000 -1.216) 8.352 31.283 ( -6.761 -0.000 1.818) 7.001 31.309 ( 9.655 0.000 -3.063) 10.130 31.517 ( -8.164 -0.000 -1.273) 8.262 32.072 ( -8.969 -0.000 3.608) 9.668 32.570 ( -2.049 -0.000 6.848) 7.147 33.044 ( -8.300 -0.000 -2.510) 8.671 34.406 ( 0.409 0.000 -1.487) 1.542 34.825 ( -0.054 -0.000 2.063) 2.063 49.624 ( -1.363 -0.000 -1.047) 1.719 50.171 ( 8.344 0.000 -10.582) 13.476 ======================= Grid point 79 (65/105) ======================= q-point: (-0.14 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( 48.579 0.000 11.470) 49.915 5.317 ( 30.317 0.000 -5.545) 30.820 5.535 ( -21.969 -0.000 4.424) 22.410 6.906 ( 12.934 0.000 0.667) 12.951 6.955 ( 20.149 0.000 -5.049) 20.772 7.201 ( -9.556 -0.000 4.281) 10.471 7.369 ( 9.813 0.000 1.756) 9.968 7.742 ( 29.127 0.000 -3.060) 29.287 9.542 ( -49.856 -0.000 -8.416) 50.561 9.548 ( -1.015 -0.000 6.878) 6.953 10.303 ( -24.515 -0.000 -2.871) 24.682 10.374 ( 49.002 0.000 30.644) 57.795 10.773 ( -17.147 -0.000 -3.458) 17.493 10.901 ( 11.683 0.000 -9.239) 14.895 11.568 ( 10.068 -0.000 11.032) 14.936 11.897 ( 8.945 0.000 -12.285) 15.196 12.246 ( 3.154 0.000 -26.804) 26.989 12.682 ( 1.211 -0.000 13.288) 13.343 13.592 ( -1.846 0.000 -5.593) 5.889 14.144 ( 0.090 -0.000 40.130) 40.130 14.477 ( -22.211 -0.000 6.523) 23.149 14.670 ( -7.263 -0.000 -1.150) 7.353 15.082 ( 32.787 0.000 -8.899) 33.973 15.647 ( -13.421 -0.000 -12.743) 18.507 15.983 ( -43.378 -0.000 -1.014) 43.390 16.053 ( 28.204 0.000 3.223) 28.388 16.357 ( 1.769 0.000 -0.400) 1.814 16.534 ( 5.112 0.000 -11.398) 12.492 16.937 ( 4.988 0.000 -17.135) 17.847 17.016 ( 1.039 -0.000 8.104) 8.170 17.056 ( 10.939 0.000 0.458) 10.948 17.435 ( 0.293 0.000 0.058) 0.299 17.556 ( 13.267 0.000 -11.831) 17.776 17.568 ( -3.408 -0.000 10.985) 11.501 17.797 ( 4.908 0.000 -9.777) 10.940 18.045 ( 8.426 -0.000 10.333) 13.333 18.564 ( -7.228 -0.000 -1.668) 7.419 18.731 ( -16.020 -0.000 -10.950) 19.405 19.070 ( -1.070 -0.000 14.219) 14.259 19.175 ( -4.007 0.000 -6.452) 7.594 19.502 ( 6.634 0.000 -4.768) 8.170 19.589 ( 7.314 -0.000 12.484) 14.468 19.650 ( -25.794 -0.000 -2.327) 25.899 19.776 ( 12.708 0.000 -21.035) 24.576 19.918 ( -15.628 -0.000 -10.488) 18.821 20.661 ( 1.156 -0.000 4.845) 4.981 20.722 ( -5.814 -0.000 3.852) 6.974 20.733 ( -7.974 -0.000 3.300) 8.630 21.309 ( -13.566 -0.000 16.669) 21.491 21.577 ( 3.494 -0.000 15.771) 16.153 21.923 ( -0.378 -0.000 2.181) 2.213 22.009 ( 6.155 0.000 -2.075) 6.496 22.273 ( 5.951 0.000 0.373) 5.963 22.331 ( 5.490 0.000 5.744) 7.946 22.379 ( 3.097 0.000 -4.403) 5.383 22.467 ( 1.894 0.000 -2.696) 3.295 22.745 ( 1.545 0.000 -2.676) 3.090 22.877 ( 2.662 0.000 0.435) 2.698 22.930 ( -4.159 -0.000 1.171) 4.321 23.222 ( -10.284 -0.000 -0.329) 10.290 23.547 ( 0.401 0.000 -4.544) 4.562 23.569 ( 4.004 0.000 -5.330) 6.667 23.668 ( -5.464 -0.000 -3.224) 6.344 23.898 ( 0.430 -0.000 1.674) 1.729 24.027 ( 1.617 0.000 -3.854) 4.179 24.055 ( -5.160 -0.000 -2.635) 5.794 24.537 ( 7.038 0.000 5.734) 9.078 24.670 ( -11.971 -0.000 5.341) 13.108 24.943 ( -7.552 -0.000 -0.719) 7.586 25.627 ( -1.441 -0.000 -0.502) 1.526 26.356 ( 4.871 0.000 -2.838) 5.638 26.419 ( -1.628 0.000 -2.242) 2.771 26.687 ( 6.623 0.000 2.550) 7.096 26.755 ( -2.659 -0.000 3.867) 4.693 28.339 ( 4.276 0.000 2.765) 5.092 28.565 ( -2.064 -0.000 -1.148) 2.362 29.033 ( 5.223 0.000 -6.610) 8.425 29.081 ( 7.132 0.000 -2.518) 7.564 29.193 ( -6.046 -0.000 -0.666) 6.083 29.348 ( -3.331 -0.000 -1.138) 3.520 29.576 ( -0.656 -0.000 0.511) 0.832 29.756 ( 4.359 -0.000 6.859) 8.127 29.877 ( -2.634 -0.000 -0.349) 2.657 30.096 ( -1.621 -0.000 5.647) 5.875 30.324 ( -2.610 0.000 -2.984) 3.964 30.545 ( -0.742 0.000 -1.908) 2.047 31.048 ( 2.645 0.000 0.612) 2.715 31.532 ( 1.267 0.000 -0.065) 1.268 31.719 ( 3.251 0.000 0.193) 3.257 32.338 ( -0.883 -0.000 -0.013) 0.884 32.688 ( -4.593 -0.000 -1.327) 4.781 33.238 ( 1.836 0.000 -0.420) 1.883 34.385 ( 0.742 0.000 0.224) 0.775 34.864 ( -1.303 -0.000 -0.732) 1.494 49.727 ( 0.842 0.000 -0.035) 0.843 49.783 ( 5.338 0.000 0.747) 5.390 ======================= Grid point 80 (66/105) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -78.794 16.248 0.000) 80.452 2.755 ( -55.262 -5.509 -0.000) 55.536 3.341 (-100.558 17.265 0.000) 102.030 5.091 ( -10.491 118.480 0.000) 118.943 6.404 ( -1.542 -4.565 -0.000) 4.818 6.939 ( -2.938 5.498 0.000) 6.233 7.165 ( 8.677 -5.053 -0.000) 10.041 7.783 ( 2.880 1.293 0.000) 3.157 8.149 ( 15.817 0.755 -0.000) 15.835 9.397 ( 3.555 -40.789 -0.000) 40.943 10.037 ( -7.580 -11.999 -0.000) 14.193 10.738 ( 5.067 1.155 0.000) 5.197 10.981 ( 7.195 16.752 0.000) 18.232 11.005 ( -9.162 8.295 0.000) 12.359 12.226 ( -17.528 11.203 0.000) 20.802 12.455 ( 1.977 4.436 0.000) 4.857 12.517 ( -4.956 -29.656 -0.000) 30.067 12.814 ( -4.032 -3.717 -0.000) 5.483 12.864 ( 11.337 -16.392 -0.000) 19.930 13.030 ( -19.252 17.007 0.000) 25.688 13.802 ( -0.080 1.227 0.000) 1.229 14.018 ( 7.244 -42.908 -0.000) 43.515 14.859 ( 3.066 6.898 0.000) 7.549 15.158 ( 5.994 -1.514 -0.000) 6.182 15.818 ( 26.345 -11.425 -0.000) 28.716 16.564 ( -4.029 -0.516 -0.000) 4.062 16.569 ( 5.964 16.428 0.000) 17.477 16.786 ( -4.835 -35.265 -0.000) 35.594 16.853 ( 0.888 1.112 0.000) 1.423 17.085 ( -9.917 17.531 0.000) 20.142 17.465 ( 4.317 22.290 0.000) 22.704 17.552 ( -3.079 5.604 0.000) 6.394 17.603 ( -37.148 -5.269 -0.000) 37.520 17.917 ( -1.165 -5.267 -0.000) 5.394 17.967 ( 9.202 18.262 0.000) 20.450 18.167 ( -10.748 1.433 0.000) 10.843 18.334 ( -0.513 15.100 0.000) 15.109 18.460 ( 3.628 8.333 0.000) 9.088 18.753 ( -1.800 -12.043 -0.000) 12.176 18.932 ( -10.640 -10.241 -0.000) 14.768 19.372 ( 11.149 -1.123 -0.000) 11.205 20.024 ( 0.644 36.894 0.000) 36.900 20.117 ( 3.434 5.132 0.000) 6.175 20.376 ( 10.287 9.175 0.000) 13.783 20.608 ( 24.888 -3.241 -0.000) 25.098 20.700 ( 5.436 -45.775 -0.000) 46.097 20.727 ( 6.698 -5.928 -0.000) 8.944 21.061 ( -0.306 -5.526 -0.000) 5.535 21.349 ( 0.888 -18.033 -0.000) 18.055 21.488 ( -4.578 -8.802 -0.000) 9.921 21.522 ( -8.150 3.683 0.000) 8.944 21.724 ( 0.651 -2.634 -0.000) 2.713 22.028 ( 13.704 4.850 0.000) 14.537 22.398 ( -1.348 -4.378 -0.000) 4.581 22.564 ( 8.613 4.125 0.000) 9.550 22.768 ( 3.129 1.449 0.000) 3.448 22.789 ( -13.481 -0.582 0.000) 13.493 22.950 ( 5.022 9.462 0.000) 10.712 22.987 ( -9.715 2.735 0.000) 10.093 23.130 ( -3.342 -0.480 -0.000) 3.377 23.478 ( -16.195 8.818 0.000) 18.441 23.626 ( -1.153 -2.219 -0.000) 2.500 23.792 ( -1.525 1.711 0.000) 2.291 23.986 ( 9.038 -10.325 -0.000) 13.722 24.641 ( 11.399 12.443 0.000) 16.875 24.841 ( 12.210 2.051 0.000) 12.381 24.915 ( 2.703 -4.226 -0.000) 5.016 25.236 ( 22.211 -3.561 -0.000) 22.494 25.282 ( 0.303 0.273 0.000) 0.408 25.616 ( 4.237 -14.050 -0.000) 14.675 26.009 ( -7.400 -5.046 -0.000) 8.957 26.079 ( -7.596 -0.388 0.000) 7.606 26.420 ( -0.846 2.851 0.000) 2.974 26.568 ( -3.606 0.751 0.000) 3.684 28.135 ( -3.002 2.901 0.000) 4.175 28.425 ( -6.836 7.801 0.000) 10.372 28.557 ( -4.385 -2.972 -0.000) 5.297 28.740 ( -0.255 -2.162 -0.000) 2.177 29.454 ( -1.571 2.014 0.000) 2.554 29.635 ( 2.662 -0.464 -0.000) 2.702 29.735 ( 2.003 0.093 -0.000) 2.005 29.865 ( -0.588 -8.175 -0.000) 8.196 29.902 ( 2.511 18.002 0.000) 18.177 30.294 ( 2.982 5.478 0.000) 6.237 30.728 ( 3.736 -4.432 -0.000) 5.796 30.757 ( 8.624 -5.699 -0.000) 10.337 31.133 ( 2.336 4.007 0.000) 4.638 31.382 ( 1.467 3.956 0.000) 4.220 31.388 ( -8.178 3.988 0.000) 9.099 31.891 ( -5.055 -10.928 -0.000) 12.040 32.457 ( -15.380 -9.037 -0.000) 17.839 32.979 ( -0.157 4.223 0.000) 4.226 34.496 ( -0.705 5.093 0.000) 5.142 34.792 ( 1.180 -5.268 -0.000) 5.399 49.649 ( 0.151 0.632 0.000) 0.650 50.787 ( 22.422 10.085 0.000) 24.586 ======================= Grid point 82 (67/105) ======================= q-point: ( 0.26 -0.59 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.056 ( -34.046 -3.510 3.811) 34.438 5.544 ( 17.086 13.556 -0.331) 21.814 5.999 ( -8.182 34.979 -5.916) 36.407 6.604 ( 2.121 -8.649 -1.235) 8.990 7.169 ( -18.684 3.150 -2.692) 19.138 7.311 ( -2.044 5.028 -1.771) 5.709 7.375 ( -20.438 -6.136 -7.069) 22.479 7.617 ( 4.939 -3.111 -5.407) 7.957 8.905 ( 15.882 -8.137 4.155) 18.322 8.983 ( 5.572 -21.949 10.587) 24.998 9.858 ( 8.085 -6.646 1.435) 10.564 9.964 ( 14.628 -7.648 -2.469) 16.690 10.909 ( -14.621 -6.453 8.094) 17.915 11.105 ( 14.585 7.992 8.147) 18.519 12.120 ( -37.813 23.076 -10.728) 45.578 12.714 ( -7.770 23.772 -17.489) 30.518 12.987 ( -1.232 -19.010 -0.642) 19.060 13.046 ( 1.299 0.808 -10.389) 10.501 13.505 ( -3.866 24.149 6.692) 25.355 13.888 ( -20.705 13.584 -3.136) 24.961 14.134 ( -15.128 -20.824 5.088) 26.237 14.472 ( -7.614 -14.451 1.698) 16.423 14.655 ( 8.847 -9.163 3.961) 13.338 14.972 ( 17.037 -25.007 -9.038) 31.580 15.774 ( -13.109 -9.030 -7.179) 17.462 15.908 ( 22.457 1.634 -2.458) 22.650 16.324 ( -3.730 17.711 0.832) 18.119 16.651 ( -5.188 11.452 9.642) 15.844 16.827 ( 10.764 -9.390 1.874) 14.406 16.916 ( -1.244 -14.562 -5.006) 15.449 17.431 ( -7.412 13.283 6.198) 16.425 17.501 ( -4.023 10.258 0.412) 11.026 17.810 ( -0.951 4.853 7.008) 8.577 17.866 ( 0.756 11.983 5.493) 13.204 18.101 ( 5.496 3.055 6.988) 9.400 18.134 ( 4.134 -10.450 7.650) 13.595 18.349 ( 3.231 -0.055 14.516) 14.871 18.459 ( 4.078 -2.616 7.350) 8.803 18.791 ( -3.501 -9.336 0.571) 9.987 19.022 ( 0.366 -15.157 0.892) 15.188 19.364 ( 0.938 7.217 0.092) 7.279 19.572 ( 8.252 7.410 1.266) 11.163 19.879 ( 4.544 33.113 -3.861) 33.646 20.060 ( -3.623 5.589 -10.384) 12.337 20.207 ( 10.083 6.611 -9.012) 15.053 20.512 ( 2.550 -18.620 -1.513) 18.855 20.672 ( -10.074 -5.216 -9.286) 14.661 20.955 ( 6.293 -17.383 -7.035) 19.781 21.371 ( 0.528 2.679 0.764) 2.835 21.551 ( 1.211 -10.477 -6.808) 12.554 21.826 ( -2.133 -4.364 3.999) 6.291 21.887 ( 8.631 1.539 2.481) 9.111 22.042 ( -3.989 3.489 -2.648) 5.924 22.212 ( 5.892 -1.583 0.953) 6.175 22.354 ( -4.861 1.039 -1.421) 5.170 22.467 ( 2.232 -2.798 -0.088) 3.581 22.825 ( -6.814 -0.833 0.716) 6.902 22.894 ( 0.154 4.024 0.233) 4.033 22.945 ( 2.000 1.128 3.405) 4.106 22.997 ( 3.782 -3.737 1.690) 5.579 23.527 ( -1.065 0.713 -5.385) 5.535 23.624 ( 5.290 0.953 -0.558) 5.404 23.832 ( -2.367 1.510 1.887) 3.383 23.870 ( 1.135 0.025 6.104) 6.209 24.161 ( -0.151 10.189 1.443) 10.292 24.416 ( 2.005 11.195 -1.556) 11.480 24.483 ( 3.506 -8.541 1.951) 9.437 24.527 ( -0.254 -5.058 -3.767) 6.312 25.083 ( 4.650 9.947 0.868) 11.015 25.284 ( -0.879 -15.326 0.941) 15.380 26.346 ( -4.670 0.116 -0.718) 4.726 26.392 ( -0.162 -0.018 0.345) 0.382 26.748 ( -4.978 0.146 -2.753) 5.691 26.821 ( 2.329 0.211 -0.579) 2.409 28.434 ( -2.286 1.164 -1.222) 2.841 28.486 ( 0.847 -1.085 1.880) 2.330 28.914 ( -7.792 1.244 0.242) 7.894 29.038 ( 0.183 -1.840 0.872) 2.044 29.305 ( 1.858 2.625 2.868) 4.309 29.352 ( 4.644 1.623 3.711) 6.162 29.636 ( 2.133 4.705 -2.474) 5.727 29.708 ( -1.416 -6.275 -4.427) 7.809 30.073 ( -1.288 3.938 -2.991) 5.110 30.198 ( 5.649 -2.138 -2.101) 6.395 30.300 ( -1.663 3.806 2.507) 4.852 30.408 ( 2.465 -3.769 2.409) 5.107 31.154 ( -1.293 5.532 -0.743) 5.730 31.316 ( 0.451 -8.017 0.754) 8.065 31.856 ( -2.992 6.863 -0.156) 7.489 32.040 ( -0.108 -9.658 1.185) 9.731 32.942 ( 0.005 9.271 0.412) 9.280 33.080 ( -2.433 -7.642 -0.883) 8.069 34.557 ( -0.749 7.267 0.061) 7.306 34.706 ( 0.656 -6.734 0.724) 6.805 49.760 ( -4.839 0.130 0.433) 4.860 49.855 ( 6.514 2.425 -0.045) 6.951 ======================= Grid point 83 (68/105) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 -0.057 0.808) 0.810 3.811 ( 0.000 -64.231 -39.562) 75.437 5.753 ( -0.000 -6.730 -79.559) 79.843 6.435 ( -0.000 3.085 0.907) 3.216 6.480 ( 0.000 11.983 74.536) 75.493 6.703 ( 0.000 -2.283 -2.017) 3.046 7.280 ( -0.000 25.743 9.288) 27.367 7.882 ( -0.000 -0.563 -2.061) 2.136 8.138 ( 0.000 -13.356 -26.550) 29.720 8.282 ( -0.000 1.122 -45.336) 45.349 9.616 ( 0.000 12.264 53.508) 54.895 10.201 ( -0.000 15.265 1.282) 15.318 10.950 ( 0.000 -19.754 -5.195) 20.426 11.788 ( -0.000 -5.756 -20.302) 21.103 11.921 ( 0.000 -11.895 9.213) 15.045 12.015 ( 0.000 -10.655 -3.404) 11.186 12.682 ( -0.000 15.590 10.940) 19.046 12.893 ( -0.000 38.793 -5.496) 39.180 13.223 ( -0.000 16.617 -6.475) 17.834 13.248 ( 0.000 -2.292 27.965) 28.059 13.432 ( 0.000 -0.854 1.209) 1.480 13.559 ( -0.000 8.021 8.646) 11.794 13.663 ( -0.000 2.695 -5.112) 5.779 14.846 ( -0.000 15.021 -16.458) 22.282 14.970 ( 0.000 -37.736 10.443) 39.155 15.207 ( 0.000 -9.343 22.872) 24.707 16.531 ( 0.000 -8.826 0.966) 8.879 16.886 ( 0.000 -7.768 1.012) 7.834 17.059 ( 0.000 -2.623 -5.006) 5.652 17.093 ( -0.000 2.294 -15.048) 15.222 17.171 ( -0.000 3.654 1.787) 4.068 17.609 ( -0.000 1.650 1.347) 2.130 17.825 ( -0.000 9.871 5.468) 11.285 17.872 ( -0.000 2.142 -13.554) 13.722 18.393 ( 0.000 -19.003 1.674) 19.077 18.493 ( -0.000 -1.802 -13.810) 13.927 18.536 ( 0.000 -26.061 1.205) 26.088 18.849 ( -0.000 12.334 -11.858) 17.110 18.988 ( 0.000 -0.446 -0.470) 0.648 19.163 ( 0.000 4.433 24.297) 24.698 19.470 ( -0.000 21.464 1.674) 21.529 19.586 ( 0.000 -7.465 -14.547) 16.351 19.845 ( 0.000 0.250 7.769) 7.773 20.256 ( 0.000 -16.127 7.957) 17.983 20.529 ( 0.000 0.318 11.192) 11.196 21.016 ( -0.000 5.536 -9.769) 11.229 21.142 ( -0.000 1.397 -2.736) 3.072 21.388 ( 0.000 -3.887 6.245) 7.356 21.673 ( -0.000 17.124 0.871) 17.146 21.822 ( -0.000 12.930 3.587) 13.419 22.076 ( 0.000 1.597 5.512) 5.738 22.097 ( -0.000 3.727 3.524) 5.129 22.198 ( -0.000 2.695 4.069) 4.880 22.221 ( -0.000 -0.336 -6.250) 6.259 22.402 ( -0.000 -1.076 -7.749) 7.823 22.479 ( 0.000 -5.085 -7.921) 9.413 22.821 ( 0.000 -5.530 12.214) 13.407 23.065 ( -0.000 -2.405 -6.865) 7.274 23.237 ( 0.000 -9.356 -10.919) 14.379 23.400 ( -0.000 2.628 4.633) 5.326 23.631 ( -0.000 1.857 3.529) 3.987 23.829 ( -0.000 -3.880 -12.973) 13.541 23.976 ( -0.000 8.011 15.335) 17.301 23.987 ( 0.000 -5.945 4.411) 7.403 24.064 ( 0.000 0.553 4.531) 4.565 24.235 ( -0.000 0.470 -11.659) 11.668 24.309 ( 0.000 0.439 6.529) 6.543 24.939 ( 0.000 -3.817 -2.399) 4.509 25.144 ( 0.000 -2.424 0.791) 2.549 25.636 ( -0.000 7.173 4.761) 8.609 25.773 ( 0.000 0.743 2.501) 2.609 25.966 ( -0.000 -0.975 -2.871) 3.032 26.793 ( 0.000 -2.039 6.442) 6.757 26.973 ( -0.000 2.105 -4.941) 5.371 28.099 ( -0.000 -0.851 -2.881) 3.004 28.305 ( -0.000 3.778 3.263) 4.992 28.523 ( -0.000 2.844 -4.994) 5.747 28.841 ( 0.000 -5.068 -2.937) 5.858 29.449 ( 0.000 -8.515 5.895) 10.357 29.591 ( 0.000 -0.198 0.350) 0.402 29.723 ( -0.000 0.151 -0.411) 0.438 29.904 ( 0.000 -1.999 5.651) 5.994 29.975 ( -0.000 2.706 -11.663) 11.972 30.257 ( -0.000 1.502 -5.250) 5.460 30.785 ( -0.000 3.735 5.182) 6.388 30.865 ( -0.000 5.967 0.913) 6.036 31.255 ( 0.000 -5.499 -5.053) 7.468 31.269 ( 0.000 -4.955 1.760) 5.258 31.637 ( -0.000 2.054 -1.334) 2.449 31.731 ( -0.000 6.637 6.066) 8.991 32.535 ( 0.000 -2.125 8.375) 8.640 32.752 ( -0.000 0.542 -7.910) 7.929 34.454 ( 0.000 -3.565 -1.850) 4.017 34.788 ( -0.000 3.727 2.242) 4.349 49.642 ( 0.000 -3.718 0.199) 3.724 50.393 ( -0.000 -2.779 -11.865) 12.186 ======================= Grid point 85 (69/105) ======================= q-point: ( 0.65 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( -41.328 -3.543 0.756) 41.486 5.528 ( 3.314 -30.918 -10.348) 32.771 5.800 ( -59.704 5.058 16.673) 62.195 6.388 ( 21.862 2.398 -2.006) 22.084 6.969 ( -4.657 1.240 -0.514) 4.846 7.386 ( 8.047 5.364 -9.421) 13.502 7.727 ( 8.617 -0.752 2.425) 8.984 8.070 ( -25.780 31.548 4.252) 40.962 8.699 ( -0.464 11.565 4.699) 12.492 9.319 ( -33.616 -0.847 18.207) 38.239 9.782 ( 1.695 20.728 -3.529) 21.094 10.319 ( 33.111 -1.057 4.078) 33.378 10.562 ( -9.493 -14.502 -17.255) 24.457 11.144 ( -4.199 2.577 -1.980) 5.309 11.895 ( 6.013 -17.729 -1.434) 18.776 12.096 ( -15.237 -11.913 7.687) 20.813 12.480 ( -11.911 3.189 -1.615) 12.436 12.685 ( -6.590 -0.070 -7.854) 10.253 13.118 ( -5.361 -10.922 3.024) 12.537 13.723 ( -6.504 3.588 -0.599) 7.452 14.235 ( 0.965 -5.686 3.893) 6.958 14.457 ( -7.449 1.764 7.926) 11.019 14.725 ( -9.326 -5.008 4.543) 11.520 14.938 ( 4.320 11.681 1.213) 12.513 15.334 ( -26.681 28.103 2.303) 38.820 16.188 ( -22.453 -0.032 -9.573) 24.409 16.637 ( 2.653 -1.197 -10.671) 11.061 16.793 ( 12.602 8.396 -9.176) 17.706 16.966 ( 5.252 -15.977 -1.806) 16.915 17.192 ( -2.399 3.358 10.100) 10.911 17.569 ( 4.559 -3.647 -8.166) 10.038 17.645 ( 15.908 -6.049 -12.914) 21.365 17.849 ( -1.597 2.851 -16.606) 16.924 17.941 ( 11.407 -0.780 -2.575) 11.720 18.223 ( -2.873 5.885 -5.596) 8.614 18.330 ( 10.798 -9.478 -3.147) 14.708 18.432 ( 4.549 -3.745 -4.780) 7.587 18.542 ( -0.182 -22.685 -1.925) 22.768 18.801 ( -10.688 6.341 1.950) 12.579 18.901 ( 3.224 4.606 12.346) 13.565 19.284 ( 1.728 1.384 4.597) 5.103 19.326 ( -9.365 -8.344 10.929) 16.636 19.550 ( 4.450 0.535 11.254) 12.114 19.831 ( 9.615 -0.100 3.544) 10.248 20.218 ( 3.754 6.730 -5.002) 9.187 20.479 ( -4.859 -4.425 9.905) 11.887 20.547 ( -0.636 -2.377 11.557) 11.816 20.961 ( 10.960 -7.557 -3.225) 13.698 21.123 ( -0.818 -6.542 14.343) 15.786 21.707 ( 2.777 5.856 0.662) 6.514 21.866 ( -2.135 -0.044 6.156) 6.516 22.136 ( 5.366 22.844 -4.634) 23.919 22.210 ( -4.853 7.877 -1.112) 9.319 22.357 ( 4.425 6.811 -0.300) 8.128 22.393 ( -2.726 -0.208 -1.697) 3.217 22.584 ( 3.834 2.021 -2.758) 5.137 22.875 ( 2.589 0.450 -3.677) 4.520 22.928 ( 1.979 -1.639 -3.200) 4.104 23.014 ( 3.008 -1.932 -1.267) 3.793 23.159 ( 7.972 1.230 -0.678) 8.094 23.522 ( 1.810 -0.385 0.489) 1.914 23.815 ( -1.879 0.314 -6.991) 7.246 23.868 ( -9.436 -0.819 1.219) 9.550 23.944 ( -0.004 -9.157 -6.723) 11.360 24.093 ( 17.038 -1.266 -1.504) 17.151 24.211 ( 10.352 -12.887 -0.808) 16.550 24.570 ( 14.855 1.718 9.671) 17.809 24.573 ( -9.162 6.158 5.571) 12.365 24.858 ( 6.485 -6.652 -4.474) 10.311 25.524 ( -0.146 6.906 1.662) 7.105 26.183 ( -9.557 -2.011 -0.750) 9.795 26.420 ( -2.294 0.277 -4.798) 5.326 26.524 ( -8.602 -0.224 3.830) 9.419 26.809 ( 0.173 0.046 4.308) 4.312 28.398 ( -3.013 0.508 -1.577) 3.438 28.528 ( 1.062 -0.066 -1.630) 1.947 28.870 ( -8.438 3.236 -1.076) 9.101 28.986 ( -3.018 3.467 1.770) 4.926 29.306 ( -0.372 -6.893 -3.857) 7.907 29.420 ( 5.450 -1.211 -2.087) 5.961 29.617 ( 2.525 0.730 0.414) 2.660 29.721 ( -4.012 -4.757 5.822) 8.521 30.030 ( 9.279 3.386 1.445) 9.983 30.229 ( 7.008 -2.158 -1.267) 7.441 30.405 ( 4.692 -1.488 -0.166) 4.925 30.620 ( 4.527 5.995 -1.755) 7.715 31.264 ( 6.063 -0.303 -1.907) 6.363 31.312 ( -6.906 4.913 1.302) 8.575 31.739 ( -4.001 -5.003 -0.952) 6.476 32.034 ( -8.521 8.003 1.528) 11.789 32.574 ( -7.332 -9.173 1.831) 11.885 33.185 ( -2.335 3.377 -0.627) 4.153 34.490 ( 1.903 -4.717 -0.868) 5.160 34.757 ( -2.116 3.482 0.326) 4.088 49.691 ( -1.343 -0.189 -0.302) 1.390 50.238 ( 15.648 1.966 -3.858) 16.236 ======================= Grid point 91 (70/105) ======================= q-point: ( 0.44 -0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -34.623 -3.357 0.653) 34.792 3.308 ( -38.278 15.575 61.867) 74.399 4.541 ( -89.371 18.225 68.343) 113.974 5.965 ( -2.388 -14.105 -17.101) 22.296 6.743 ( -1.992 10.566 1.208) 10.820 6.965 ( 6.255 3.513 -9.311) 11.754 7.641 ( 5.284 63.464 9.190) 64.343 7.778 ( 0.713 11.710 -2.333) 11.961 8.135 ( 4.394 -10.075 1.066) 11.043 8.735 ( 2.023 -16.227 -4.437) 16.944 9.183 ( -20.191 -8.432 -42.450) 47.758 10.938 ( 10.229 -9.662 18.898) 23.561 11.327 ( 23.386 19.948 4.921) 31.130 11.555 ( 0.347 17.107 13.872) 22.027 11.924 ( -7.421 -27.781 -0.731) 28.764 12.263 ( -12.595 -18.796 4.177) 23.008 12.517 ( -8.166 2.510 -1.639) 8.699 12.575 ( 19.335 -6.863 -3.332) 20.786 12.869 ( -12.387 12.077 4.338) 17.836 13.051 ( 5.765 -24.828 -28.619) 38.324 13.501 ( -19.782 27.217 -4.927) 34.005 13.738 ( -17.463 -6.329 1.776) 18.660 14.792 ( 4.887 -0.690 -25.972) 26.437 14.986 ( 4.187 13.853 -6.859) 16.015 15.283 ( 10.366 -26.263 -7.097) 29.112 15.927 ( -11.173 -38.351 -10.977) 41.427 16.681 ( 1.923 0.841 -2.449) 3.225 16.844 ( 2.683 12.182 -2.691) 12.761 16.917 ( -1.981 10.877 0.984) 11.099 17.301 ( -8.227 7.364 -5.928) 12.532 17.337 ( -7.709 -2.930 -1.197) 8.333 17.591 ( -0.486 -4.517 2.352) 5.115 17.850 ( 1.790 9.510 -4.987) 10.886 17.891 ( 1.581 7.930 11.727) 14.245 18.247 ( 6.695 16.262 -4.348) 18.116 18.413 ( -0.904 -15.631 0.425) 15.663 18.617 ( -1.908 10.722 0.933) 10.930 18.699 ( 2.721 6.791 11.797) 13.881 18.757 ( -5.933 6.043 15.921) 18.033 18.986 ( -10.864 7.036 3.498) 13.408 19.512 ( 10.072 -6.791 8.422) 14.781 19.592 ( 2.176 -44.872 0.313) 44.926 19.913 ( 13.930 -2.538 -7.557) 16.050 20.303 ( 1.634 -7.467 -8.003) 11.067 20.639 ( 12.706 3.915 4.274) 13.966 20.661 ( 12.706 -1.877 8.034) 15.150 20.783 ( 0.975 1.996 -6.645) 7.006 21.019 ( -1.465 -1.960 7.966) 8.333 21.181 ( -0.432 3.980 9.471) 10.283 21.452 ( -5.387 9.629 2.436) 11.300 21.741 ( -2.342 0.985 11.563) 11.839 21.833 ( -0.434 -3.273 10.891) 11.380 22.101 ( 0.373 0.794 -0.530) 1.025 22.305 ( 4.554 -1.226 -1.055) 4.833 22.579 ( 3.265 0.650 -3.407) 4.763 22.672 ( 1.254 1.574 -4.775) 5.182 22.811 ( -0.887 0.894 -1.819) 2.212 23.080 ( 4.653 4.830 2.605) 7.195 23.160 ( 2.617 4.016 3.612) 6.002 23.214 ( -11.440 -0.775 9.952) 15.183 23.508 ( 0.454 -4.918 -5.575) 7.448 23.641 ( -9.552 6.916 -2.197) 11.996 23.785 ( 5.437 -5.975 2.855) 8.568 23.928 ( -6.206 4.248 4.800) 8.922 24.379 ( 10.688 -6.725 -21.016) 24.518 24.724 ( 3.783 -5.538 -6.724) 9.497 24.944 ( 14.102 1.886 -7.717) 16.186 25.166 ( 13.013 1.735 -0.398) 13.135 25.305 ( 5.160 -12.319 -3.760) 13.875 25.341 ( -3.926 6.358 -1.811) 7.689 25.870 ( -8.883 -3.046 -1.866) 9.575 26.247 ( -3.563 0.058 1.944) 4.060 26.285 ( -1.060 -1.048 2.991) 3.341 26.780 ( -0.019 1.717 9.479) 9.634 28.211 ( -3.836 3.600 0.816) 5.324 28.381 ( -5.598 -0.180 -7.576) 9.422 28.600 ( -1.904 6.335 -1.321) 6.746 28.810 ( -1.565 0.108 6.734) 6.914 29.446 ( 0.197 -5.641 0.750) 5.694 29.603 ( 2.699 -0.921 -1.928) 3.443 29.720 ( 0.659 -5.114 4.022) 6.539 29.749 ( -0.264 -3.477 1.337) 3.735 30.206 ( 3.958 14.517 -4.613) 15.739 30.382 ( -1.067 8.532 -3.051) 9.124 30.598 ( 6.316 -4.431 -1.211) 7.809 30.723 ( 5.281 -2.038 2.241) 6.088 31.209 ( 3.549 -0.221 2.159) 4.160 31.430 ( 1.502 3.160 -0.403) 3.522 31.528 ( -6.455 5.768 3.148) 9.211 31.668 ( -5.823 -8.727 -2.210) 10.721 32.369 ( -9.233 -6.288 4.561) 12.066 33.015 ( -1.809 3.299 -3.253) 4.974 34.586 ( -0.943 2.880 -0.482) 3.068 34.681 ( 1.167 -3.545 -0.469) 3.762 49.664 ( -0.046 -0.131 0.474) 0.494 50.774 ( 12.160 4.562 -10.091) 16.448 ======================= Grid point 92 (71/105) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 59.522 0.000 -0.000) 59.522 4.831 ( 27.354 0.000 -0.000) 27.354 5.172 ( 57.785 0.000 -0.000) 57.785 6.658 ( 9.841 0.000 -0.000) 9.841 6.742 ( -5.488 -0.000 0.000) 5.488 7.153 ( 9.374 0.000 -0.000) 9.374 7.316 ( -6.532 -0.000 0.000) 6.532 7.578 ( -1.979 -0.000 0.000) 1.979 8.098 ( 113.361 0.000 -0.000) 113.361 9.615 ( -10.909 -0.000 0.000) 10.909 10.543 ( -36.667 -0.000 0.000) 36.667 10.597 ( -9.530 -0.000 0.000) 9.530 10.853 ( 12.100 0.000 -0.000) 12.100 11.225 ( 12.305 0.000 -0.000) 12.305 11.572 ( -43.619 -0.000 0.000) 43.619 11.999 ( -2.891 -0.000 0.000) 2.891 12.608 ( -1.738 -0.000 0.000) 1.738 12.640 ( 14.998 0.000 -0.000) 14.998 13.484 ( -6.438 -0.000 0.000) 6.438 13.614 ( 3.706 0.000 -0.000) 3.706 14.216 ( 38.939 0.000 -0.000) 38.939 14.873 ( -8.038 -0.000 0.000) 8.038 14.973 ( -17.138 -0.000 0.000) 17.138 15.217 ( 40.280 0.000 -0.000) 40.280 16.014 ( -7.346 -0.000 0.000) 7.346 16.421 ( -5.707 -0.000 0.000) 5.707 16.661 ( 0.679 0.000 -0.000) 0.679 16.821 ( 24.114 0.000 -0.000) 24.114 16.846 ( 0.021 0.000 -0.000) 0.021 17.002 ( -40.414 -0.000 0.000) 40.414 17.085 ( -2.446 -0.000 0.000) 2.446 17.364 ( 18.607 0.000 -0.000) 18.607 17.449 ( -3.598 -0.000 0.000) 3.598 17.585 ( -9.528 -0.000 0.000) 9.528 17.696 ( 4.116 0.000 -0.000) 4.116 17.837 ( 0.952 0.000 -0.000) 0.952 18.678 ( -3.610 -0.000 0.000) 3.610 18.902 ( 7.479 0.000 -0.000) 7.479 18.999 ( -7.944 -0.000 0.000) 7.944 19.216 ( 4.577 0.000 -0.000) 4.577 19.493 ( -5.098 -0.000 0.000) 5.098 19.574 ( -7.597 -0.000 0.000) 7.597 19.791 ( 1.929 0.000 -0.000) 1.929 20.030 ( 25.759 0.000 -0.000) 25.759 20.138 ( 3.618 0.000 -0.000) 3.618 20.522 ( -21.222 -0.000 0.000) 21.222 20.702 ( -7.110 -0.000 0.000) 7.110 20.937 ( -12.940 -0.000 0.000) 12.940 21.340 ( -11.253 -0.000 0.000) 11.253 21.575 ( -10.809 -0.000 0.000) 10.809 21.894 ( 1.717 0.000 -0.000) 1.717 21.904 ( 6.342 0.000 -0.000) 6.342 22.134 ( 2.736 0.000 -0.000) 2.736 22.170 ( 2.613 0.000 -0.000) 2.613 22.415 ( -0.988 -0.000 0.000) 0.988 22.461 ( 2.230 0.000 -0.000) 2.230 22.752 ( 0.625 0.000 -0.000) 0.625 22.904 ( -4.180 -0.000 0.000) 4.180 23.087 ( -6.591 -0.000 0.000) 6.591 23.400 ( -10.020 -0.000 0.000) 10.020 23.593 ( 2.623 0.000 -0.000) 2.623 23.660 ( -1.820 -0.000 0.000) 1.820 23.738 ( 6.667 0.000 -0.000) 6.667 23.934 ( -8.644 -0.000 0.000) 8.644 24.155 ( -12.206 -0.000 0.000) 12.206 24.198 ( 12.795 0.000 -0.000) 12.795 24.291 ( -17.100 -0.000 0.000) 17.100 24.829 ( -8.485 -0.000 0.000) 8.485 25.116 ( -8.238 -0.000 0.000) 8.238 25.698 ( -4.319 -0.000 0.000) 4.319 26.302 ( 5.106 0.000 -0.000) 5.106 26.470 ( 1.485 0.000 -0.000) 1.485 26.487 ( 9.949 0.000 -0.000) 9.949 26.692 ( 1.990 0.000 -0.000) 1.990 28.208 ( 4.447 0.000 -0.000) 4.447 28.590 ( 1.530 0.000 -0.000) 1.530 28.961 ( 7.752 0.000 -0.000) 7.752 28.986 ( 9.849 0.000 -0.000) 9.849 29.273 ( -3.149 -0.000 0.000) 3.149 29.444 ( -5.540 -0.000 0.000) 5.540 29.559 ( 0.244 0.000 -0.000) 0.244 29.656 ( -1.780 -0.000 0.000) 1.780 29.972 ( 0.539 0.000 -0.000) 0.539 30.022 ( -4.068 -0.000 0.000) 4.068 30.466 ( -7.591 -0.000 0.000) 7.591 30.624 ( -4.958 -0.000 0.000) 4.958 31.008 ( -0.283 -0.000 0.000) 0.283 31.473 ( 4.688 0.000 -0.000) 4.688 31.609 ( 7.227 0.000 -0.000) 7.227 32.326 ( 2.590 0.000 -0.000) 2.590 32.790 ( -3.582 -0.000 0.000) 3.582 33.191 ( 3.493 0.000 -0.000) 3.493 34.374 ( 0.098 0.000 -0.000) 0.098 34.894 ( -0.797 -0.000 0.000) 0.797 49.664 ( 3.431 0.000 -0.000) 3.431 49.740 ( -0.610 -0.000 0.000) 0.610 ======================= Grid point 93 (72/105) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.190 ( -41.718 -0.000 3.737) 41.885 4.838 ( -11.084 0.000 -22.664) 25.229 6.367 ( -36.135 -0.000 28.468) 46.002 6.393 ( 26.352 0.000 -1.306) 26.384 6.930 ( -4.062 -0.000 -3.182) 5.160 7.279 ( -0.516 0.000 -4.107) 4.139 7.702 ( 7.736 0.000 -1.659) 7.912 8.355 ( -16.059 -0.000 3.670) 16.472 8.383 ( -6.889 0.000 -43.538) 44.080 9.871 ( -3.235 0.000 -6.057) 6.867 10.111 ( 19.410 -0.000 23.483) 30.467 10.349 ( -31.537 -0.000 37.290) 48.838 10.600 ( 12.080 -0.000 14.112) 18.576 10.910 ( 7.888 0.000 -10.235) 12.922 11.665 ( -3.027 0.000 -6.824) 7.466 12.146 ( 17.826 0.000 -21.209) 27.706 12.342 ( -21.447 -0.000 -10.830) 24.026 12.623 ( -44.733 -0.000 20.162) 49.067 13.053 ( -3.940 -0.000 3.042) 4.977 13.633 ( 4.279 0.000 -7.571) 8.697 14.338 ( -18.120 -0.000 2.849) 18.342 14.619 ( -15.530 -0.000 2.013) 15.660 14.903 ( -10.877 -0.000 9.656) 14.545 15.038 ( 9.908 0.000 4.501) 10.882 15.717 ( -42.830 -0.000 -4.913) 43.111 15.956 ( -21.082 -0.000 -3.175) 21.319 16.347 ( 0.106 0.000 -11.594) 11.594 16.636 ( 5.207 0.000 -8.502) 9.970 16.722 ( 17.274 0.000 -6.670) 18.517 17.234 ( 9.205 0.000 -15.430) 17.967 17.315 ( 0.517 -0.000 2.981) 3.025 17.409 ( -0.744 0.000 -6.039) 6.085 17.799 ( 1.882 -0.000 13.959) 14.085 17.835 ( 5.219 0.000 -4.429) 6.845 17.879 ( 14.350 0.000 -10.311) 17.670 18.195 ( 10.586 0.000 -1.620) 10.709 18.501 ( 7.853 0.000 0.870) 7.901 18.576 ( 4.499 -0.000 8.298) 9.439 18.893 ( -10.421 -0.000 -0.586) 10.437 18.992 ( 12.058 0.000 -1.324) 12.130 19.482 ( 3.934 -0.000 12.863) 13.451 19.523 ( 9.860 0.000 6.143) 11.617 19.812 ( 9.755 0.000 -13.972) 17.040 19.839 ( -2.103 -0.000 9.932) 10.152 20.169 ( 9.640 0.000 4.578) 10.672 20.504 ( -18.954 -0.000 5.473) 19.728 20.644 ( -0.892 -0.000 4.115) 4.211 20.797 ( 21.017 0.000 -2.055) 21.117 21.549 ( 0.511 -0.000 18.234) 18.241 21.825 ( -1.305 -0.000 4.840) 5.012 22.038 ( -2.809 -0.000 7.916) 8.400 22.142 ( 2.506 0.000 -9.144) 9.482 22.246 ( 3.701 0.000 0.288) 3.713 22.320 ( -2.626 -0.000 0.481) 2.670 22.456 ( -4.461 -0.000 0.442) 4.483 22.714 ( 6.598 0.000 -1.521) 6.771 22.819 ( 2.843 0.000 -4.484) 5.309 22.824 ( 4.794 0.000 -2.894) 5.600 22.941 ( -0.870 0.000 -3.934) 4.029 23.194 ( 8.851 0.000 0.860) 8.892 23.461 ( -3.969 0.000 -7.423) 8.417 23.630 ( 5.808 0.000 2.733) 6.419 23.741 ( -2.167 0.000 -5.006) 5.455 23.913 ( -6.453 -0.000 2.562) 6.943 23.995 ( 5.835 0.000 -6.242) 8.544 24.084 ( 15.798 0.000 1.123) 15.838 24.604 ( 0.361 0.000 -6.542) 6.552 24.784 ( 9.467 0.000 6.930) 11.732 24.797 ( -2.228 -0.000 3.973) 4.555 25.613 ( -0.449 -0.000 0.154) 0.475 26.193 ( -9.371 -0.000 3.364) 9.957 26.340 ( -4.826 -0.000 -2.965) 5.664 26.637 ( -5.445 -0.000 6.639) 8.586 26.849 ( 1.512 0.000 -0.914) 1.767 28.374 ( -2.695 -0.000 0.179) 2.700 28.492 ( -1.530 0.000 -2.533) 2.959 28.850 ( -7.202 -0.000 -3.660) 8.079 29.079 ( -3.491 0.000 -6.038) 6.974 29.116 ( 2.368 -0.000 4.617) 5.189 29.365 ( 5.306 0.000 -1.959) 5.657 29.621 ( 2.274 0.000 0.029) 2.275 29.866 ( -2.310 -0.000 9.836) 10.103 30.067 ( 5.605 0.000 -1.435) 5.786 30.160 ( 4.508 0.000 -3.090) 5.466 30.384 ( 5.717 0.000 -0.433) 5.733 30.630 ( 6.712 0.000 -2.545) 7.178 31.211 ( 6.566 0.000 -2.662) 7.085 31.395 ( -7.881 -0.000 1.619) 8.045 31.673 ( -5.010 -0.000 -0.948) 5.099 32.177 ( -8.090 -0.000 2.607) 8.500 32.522 ( -4.084 -0.000 3.321) 5.263 33.197 ( -3.567 -0.000 -1.185) 3.759 34.423 ( 1.090 0.000 -1.155) 1.588 34.803 ( -1.195 -0.000 0.908) 1.501 49.675 ( -1.651 -0.000 -0.732) 1.806 50.142 ( 12.573 0.000 -6.432) 14.122 ======================= Grid point 94 (73/105) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.000 0.000 -52.544) 52.544 2.318 ( -0.000 0.000 -1.115) 1.115 3.936 ( -0.000 0.000 -86.815) 86.815 5.577 ( -0.000 0.000 -115.766) 115.766 6.492 ( -0.000 0.000 -2.479) 2.479 6.888 ( -0.000 0.000 -10.146) 10.146 7.738 ( -0.000 0.000 -7.482) 7.482 7.831 ( -0.000 0.000 -1.619) 1.619 8.050 ( 0.000 -0.000 12.784) 12.784 8.117 ( 0.000 -0.000 70.251) 70.251 10.107 ( -0.000 0.000 -1.755) 1.755 10.609 ( -0.000 0.000 -8.175) 8.175 11.333 ( -0.000 0.000 -22.826) 22.826 11.636 ( 0.000 -0.000 82.490) 82.490 11.827 ( -0.000 0.000 -0.400) 0.400 11.958 ( 0.000 -0.000 5.785) 5.785 12.612 ( -0.000 0.000 -35.567) 35.567 12.696 ( -0.000 0.000 -10.366) 10.366 13.325 ( -0.000 0.000 -4.630) 4.630 13.435 ( -0.000 0.000 -8.329) 8.329 13.767 ( 0.000 -0.000 5.322) 5.322 14.103 ( 0.000 -0.000 34.629) 34.629 14.148 ( 0.000 -0.000 37.839) 37.839 14.776 ( -0.000 0.000 -1.548) 1.548 14.959 ( 0.000 -0.000 23.281) 23.281 15.669 ( 0.000 -0.000 24.180) 24.180 16.542 ( 0.000 -0.000 7.166) 7.166 16.773 ( -0.000 0.000 -2.727) 2.727 16.795 ( -0.000 0.000 -9.802) 9.802 16.866 ( -0.000 0.000 -6.257) 6.257 17.359 ( 0.000 -0.000 8.035) 8.035 17.564 ( -0.000 0.000 -3.143) 3.143 17.613 ( -0.000 0.000 -10.942) 10.942 17.955 ( -0.000 0.000 -22.949) 22.949 18.092 ( 0.000 -0.000 3.036) 3.036 18.163 ( -0.000 0.000 -2.309) 2.309 18.332 ( -0.000 0.000 -2.016) 2.016 18.741 ( -0.000 0.000 -16.933) 16.933 19.105 ( -0.000 0.000 -16.090) 16.090 19.120 ( 0.000 -0.000 12.423) 12.423 19.642 ( -0.000 0.000 -10.382) 10.382 19.706 ( 0.000 -0.000 17.967) 17.967 20.028 ( 0.000 -0.000 4.533) 4.533 20.309 ( 0.000 -0.000 16.650) 16.650 20.576 ( -0.000 0.000 -32.300) 32.300 20.742 ( 0.000 -0.000 7.558) 7.558 20.988 ( -0.000 0.000 -5.207) 5.207 21.497 ( 0.000 -0.000 4.733) 4.733 21.878 ( -0.000 0.000 -15.890) 15.890 21.917 ( 0.000 -0.000 5.007) 5.007 22.017 ( -0.000 0.000 -3.192) 3.192 22.056 ( -0.000 0.000 -8.740) 8.740 22.235 ( -0.000 0.000 -3.089) 3.089 22.305 ( 0.000 -0.000 11.835) 11.835 22.369 ( 0.000 -0.000 2.921) 2.921 22.427 ( 0.000 -0.000 0.748) 0.748 22.872 ( -0.000 0.000 -6.323) 6.323 22.983 ( -0.000 0.000 -5.933) 5.933 23.020 ( 0.000 -0.000 8.725) 8.725 23.504 ( -0.000 0.000 -4.311) 4.311 23.532 ( 0.000 -0.000 3.617) 3.617 23.563 ( -0.000 0.000 -28.504) 28.504 23.631 ( -0.000 0.000 -5.172) 5.172 24.010 ( 0.000 -0.000 4.021) 4.021 24.370 ( -0.000 0.000 -3.202) 3.202 24.492 ( 0.000 -0.000 22.262) 22.262 24.560 ( 0.000 -0.000 21.420) 21.420 25.113 ( 0.000 -0.000 19.333) 19.333 25.118 ( -0.000 0.000 -2.242) 2.242 25.822 ( 0.000 -0.000 5.791) 5.791 25.892 ( -0.000 0.000 -2.037) 2.037 25.893 ( 0.000 -0.000 7.542) 7.542 26.796 ( -0.000 0.000 -14.021) 14.021 26.819 ( -0.000 0.000 -2.256) 2.256 28.039 ( -0.000 0.000 -1.566) 1.566 28.419 ( -0.000 0.000 -6.918) 6.918 28.481 ( 0.000 -0.000 7.615) 7.615 28.689 ( -0.000 0.000 -2.902) 2.902 29.428 ( -0.000 0.000 -2.021) 2.021 29.614 ( 0.000 -0.000 1.834) 1.834 29.725 ( 0.000 -0.000 0.458) 0.458 29.781 ( -0.000 0.000 -7.609) 7.609 29.980 ( 0.000 -0.000 3.292) 3.292 30.176 ( -0.000 0.000 -3.202) 3.202 30.930 ( 0.000 -0.000 5.435) 5.435 30.990 ( 0.000 -0.000 3.121) 3.121 31.101 ( -0.000 0.000 -4.670) 4.670 31.245 ( 0.000 -0.000 0.917) 0.917 31.603 ( -0.000 0.000 -3.824) 3.824 31.924 ( 0.000 -0.000 5.940) 5.940 32.570 ( -0.000 0.000 -8.844) 8.844 32.695 ( 0.000 -0.000 7.796) 7.796 34.393 ( -0.000 0.000 -0.704) 0.704 34.871 ( 0.000 -0.000 1.863) 1.863 49.586 ( 0.000 -0.000 0.012) 0.012 50.079 ( -0.000 0.000 -12.262) 12.262 ======================= Grid point 95 (74/105) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.998 ( 34.358 -0.173 -1.593) 34.395 5.577 ( -22.395 6.170 2.732) 23.389 6.079 ( 5.386 28.157 1.846) 28.727 6.635 ( -8.715 -9.718 1.737) 13.169 7.215 ( 11.014 1.930 0.774) 11.209 7.313 ( 9.949 7.963 -3.568) 13.233 7.520 ( 3.002 -5.764 4.801) 8.080 7.725 ( 1.418 -7.351 4.523) 8.747 8.637 ( 13.931 -7.331 -6.671) 17.097 8.973 ( -15.569 -14.389 -1.554) 21.257 9.805 ( -0.287 -4.077 -1.567) 4.378 9.976 ( -12.104 -8.269 0.266) 14.662 10.865 ( -9.636 5.542 -11.181) 15.766 10.983 ( -10.825 -6.908 12.057) 17.614 12.323 ( 15.272 28.935 5.807) 33.229 12.887 ( 24.615 -21.727 -10.811) 34.567 12.988 ( 8.000 18.336 4.546) 20.515 13.279 ( 2.498 -13.443 -4.188) 14.300 13.303 ( 5.091 38.188 3.502) 38.684 13.996 ( 25.329 16.464 6.733) 30.950 14.084 ( 12.638 -20.391 2.036) 24.076 14.428 ( 15.441 -20.745 -2.801) 26.012 14.573 ( -13.545 -0.716 -1.930) 13.701 15.009 ( -8.909 -26.692 -4.914) 28.565 15.785 ( 12.147 1.151 -9.087) 15.214 15.978 ( -3.992 -0.330 6.210) 7.390 16.370 ( -0.102 6.528 4.926) 8.179 16.553 ( 2.739 21.361 -0.821) 21.552 16.759 ( -14.588 -5.149 -1.500) 15.542 17.051 ( -1.052 -23.262 2.886) 23.464 17.418 ( -5.797 10.135 6.528) 13.377 17.580 ( -3.361 5.539 -11.141) 12.888 17.620 ( -5.194 10.395 9.138) 14.783 17.761 ( 0.690 1.396 -4.103) 4.389 17.961 ( -13.823 -0.841 1.537) 13.933 18.028 ( -0.898 -11.852 -2.777) 12.206 18.242 ( -0.242 7.698 0.614) 7.726 18.360 ( 0.037 4.209 -0.139) 4.211 18.826 ( 6.984 -13.918 2.069) 15.709 18.998 ( -1.661 -14.655 -1.174) 14.796 19.405 ( -3.805 9.144 2.698) 10.265 19.499 ( 1.317 9.492 -4.906) 10.765 19.902 ( -0.473 35.517 -1.105) 35.537 20.141 ( -6.694 10.869 0.253) 12.768 20.367 ( -8.417 -2.953 2.557) 9.280 20.521 ( -0.198 -8.339 -2.487) 8.704 20.837 ( 12.238 -8.757 4.047) 15.583 20.998 ( -2.681 -21.243 -3.772) 21.741 21.372 ( 0.617 10.958 -0.998) 11.021 21.679 ( -0.176 -14.095 3.143) 14.442 21.690 ( -1.907 -2.220 -4.606) 5.457 21.787 ( -5.139 -3.850 2.237) 6.800 22.140 ( -6.875 2.922 3.793) 8.378 22.194 ( -5.541 -1.949 -2.646) 6.442 22.419 ( 2.385 -1.211 2.919) 3.959 22.449 ( 0.419 -1.745 -2.160) 2.808 22.815 ( 4.443 2.491 -3.120) 5.973 22.872 ( 1.240 -0.712 1.904) 2.381 22.906 ( 1.400 3.330 0.493) 3.646 22.986 ( -1.801 -2.733 -0.296) 3.286 23.641 ( 1.600 0.511 -1.429) 2.205 23.654 ( 0.713 -0.417 2.692) 2.816 23.763 ( -4.767 0.724 -0.585) 4.857 23.798 ( -6.741 -0.704 0.675) 6.811 24.152 ( 3.196 11.357 0.939) 11.836 24.379 ( 6.545 5.294 -2.647) 8.824 24.455 ( -5.239 -4.165 -1.137) 6.789 24.620 ( -6.325 -0.928 3.500) 7.288 25.023 ( 2.146 8.243 -3.560) 9.232 25.292 ( -1.757 -13.518 1.437) 13.707 26.366 ( 4.055 -0.177 0.018) 4.059 26.391 ( 1.188 0.001 0.041) 1.189 26.800 ( 0.934 0.223 1.387) 1.687 26.802 ( 0.998 0.100 -1.413) 1.732 28.453 ( 0.969 0.150 -0.338) 1.037 28.458 ( 0.604 0.029 0.285) 0.669 28.921 ( 7.889 0.208 0.833) 7.936 29.021 ( -0.595 -0.893 -0.526) 1.195 29.275 ( -2.406 2.675 0.220) 3.604 29.306 ( -4.179 1.803 -0.472) 4.576 29.656 ( -0.526 4.774 -0.791) 4.868 29.778 ( -0.882 -7.336 1.394) 7.519 30.120 ( -1.380 5.088 1.098) 5.385 30.175 ( 0.512 -0.352 -2.781) 2.850 30.306 ( -2.436 1.511 2.263) 3.652 30.372 ( -2.093 -4.418 -0.677) 4.936 31.171 ( -0.585 5.377 0.883) 5.481 31.301 ( 0.890 -8.362 -0.676) 8.437 31.864 ( 1.843 7.000 0.562) 7.260 32.018 ( 1.755 -9.446 -0.820) 9.642 32.928 ( 1.934 9.670 -0.902) 9.902 33.097 ( 1.168 -7.147 0.615) 7.268 34.560 ( 0.180 7.148 0.320) 7.157 34.694 ( 0.001 -6.575 -0.369) 6.585 49.752 ( 4.000 0.784 -0.297) 4.087 49.867 ( -6.913 0.118 1.035) 6.991 ======================= Grid point 98 (75/105) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.931 ( -36.295 -3.801 -0.000) 36.494 5.290 ( 28.051 -38.590 -0.000) 47.708 5.882 ( 26.543 4.437 0.000) 26.911 6.750 ( -36.303 -1.795 0.000) 36.347 7.044 ( 2.891 4.828 0.000) 5.627 7.201 ( 10.165 1.059 0.000) 10.220 7.512 ( 9.140 3.543 0.000) 9.803 8.328 ( 12.199 37.034 0.000) 38.992 8.765 ( -25.182 1.294 0.000) 25.215 9.365 ( 20.661 8.607 0.000) 22.382 9.862 ( -12.400 -0.418 0.000) 12.407 9.869 ( -7.811 22.877 0.000) 24.174 11.087 ( -9.078 -28.570 -0.000) 29.977 11.505 ( -18.890 -1.590 -0.000) 18.957 11.696 ( 26.360 -19.650 -0.000) 32.878 12.279 ( -12.103 -0.119 0.000) 12.104 12.467 ( 15.415 -4.720 -0.000) 16.122 12.614 ( -17.375 -10.632 -0.000) 20.370 13.555 ( -23.303 14.533 0.000) 27.463 13.805 ( 23.646 -8.364 -0.000) 25.081 13.817 ( -5.238 -12.211 -0.000) 13.288 14.626 ( -9.656 -10.205 -0.000) 14.049 14.764 ( -19.269 22.895 0.000) 29.925 15.254 ( -18.293 6.981 0.000) 19.580 15.551 ( 0.540 40.961 0.000) 40.965 16.319 ( 28.800 2.816 0.000) 28.937 16.508 ( 2.361 25.147 0.000) 25.257 16.938 ( -1.858 -10.850 -0.000) 11.008 16.946 ( -2.731 -19.203 -0.000) 19.396 17.103 ( -0.377 11.041 0.000) 11.048 17.314 ( 22.523 -1.304 -0.000) 22.560 17.551 ( 5.992 -6.160 -0.000) 8.594 17.677 ( -0.970 -25.070 -0.000) 25.089 18.061 ( 4.199 0.535 0.000) 4.233 18.253 ( 14.824 -11.767 -0.000) 18.926 18.402 ( 4.448 -34.847 -0.000) 35.129 18.502 ( 3.536 11.177 0.000) 11.723 18.563 ( -17.621 -10.230 -0.000) 20.375 18.802 ( -5.558 4.320 0.000) 7.040 18.997 ( -12.830 1.534 0.000) 12.921 19.249 ( -15.740 -4.650 -0.000) 16.413 19.363 ( 7.630 11.472 0.000) 13.777 19.553 ( 8.416 1.928 0.000) 8.634 19.997 ( -28.946 -0.683 0.000) 28.954 20.136 ( -2.065 -1.591 -0.000) 2.607 20.311 ( -2.443 14.716 0.000) 14.917 20.417 ( 6.614 6.947 0.000) 9.592 20.909 ( 3.556 -16.601 -0.000) 16.978 21.023 ( -5.363 -3.373 -0.000) 6.336 21.526 ( 11.120 -1.630 -0.000) 11.239 21.858 ( -2.844 0.904 0.000) 2.984 22.044 ( 9.705 28.230 0.000) 29.852 22.158 ( 7.057 -0.108 -0.000) 7.058 22.305 ( -1.587 7.959 0.000) 8.115 22.499 ( -1.988 -0.470 -0.000) 2.043 22.565 ( 2.948 0.930 0.000) 3.091 22.872 ( 4.439 -3.511 -0.000) 5.659 22.922 ( 3.215 -0.431 -0.000) 3.244 22.952 ( 9.541 1.283 0.000) 9.627 23.022 ( -5.384 3.227 0.000) 6.277 23.571 ( -4.412 -1.318 -0.000) 4.604 23.743 ( 9.913 1.384 0.000) 10.009 23.849 ( 8.600 -11.427 -0.000) 14.302 23.957 ( -0.512 0.378 0.000) 0.636 24.064 ( 2.578 -7.681 -0.000) 8.102 24.201 ( 9.240 -2.844 -0.000) 9.668 24.253 ( -18.415 1.381 0.000) 18.467 24.713 ( -9.052 2.914 0.000) 9.509 24.747 ( 8.045 -5.542 -0.000) 9.770 25.515 ( -1.077 8.262 0.000) 8.332 26.369 ( -7.032 -1.403 -0.000) 7.170 26.478 ( 2.442 -0.094 -0.000) 2.444 26.632 ( -5.832 -0.683 -0.000) 5.872 26.737 ( 1.890 -0.029 -0.000) 1.890 28.442 ( 5.634 -2.279 -0.000) 6.077 28.496 ( -3.917 1.597 0.000) 4.230 29.038 ( -2.119 3.448 0.000) 4.047 29.045 ( -6.635 3.935 0.000) 7.714 29.338 ( 4.004 -5.261 -0.000) 6.612 29.358 ( -0.766 -3.997 -0.000) 4.070 29.581 ( 1.299 2.002 0.000) 2.386 29.780 ( 10.432 3.647 0.000) 11.051 29.808 ( -8.335 -6.153 -0.000) 10.360 30.102 ( 6.087 -1.004 -0.000) 6.169 30.350 ( 1.315 -1.529 -0.000) 2.016 30.566 ( 2.926 3.616 0.000) 4.652 31.160 ( 6.010 -1.899 -0.000) 6.303 31.424 ( -4.736 6.929 0.000) 8.393 31.789 ( -0.183 -4.451 -0.000) 4.454 32.167 ( -5.974 8.294 0.000) 10.221 32.692 ( -5.890 -9.114 -0.000) 10.852 33.214 ( -0.108 4.289 0.000) 4.290 34.460 ( 1.605 -5.320 -0.000) 5.557 34.799 ( -2.045 3.837 0.000) 4.348 49.725 ( -1.921 -1.332 -0.000) 2.338 49.982 ( 13.004 1.161 0.000) 13.056 ======================= Grid point 99 (76/105) ======================= q-point: (-0.38 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -31.122 -0.996 1.695) 31.184 4.624 ( -9.027 -34.589 -9.656) 37.029 5.174 ( -16.936 2.497 46.445) 49.500 6.233 ( -48.620 5.480 52.405) 71.695 6.759 ( -0.633 1.496 -3.606) 3.955 7.055 ( 5.608 18.100 -0.659) 18.960 7.451 ( -16.547 -1.371 -42.384) 45.521 7.861 ( 2.553 -7.301 -9.127) 11.964 8.049 ( -3.258 -6.599 -1.342) 7.481 8.758 ( -5.185 2.261 21.416) 22.151 9.230 ( -8.530 40.052 -9.898) 42.130 10.943 ( 5.656 -10.797 -0.735) 12.210 11.241 ( -0.624 -3.015 -51.730) 51.822 11.722 ( 0.915 -10.529 -3.459) 11.120 11.849 ( 29.258 6.396 0.486) 29.953 12.049 ( -1.371 -8.681 21.414) 23.147 12.325 ( -10.307 0.955 -5.119) 11.548 12.449 ( 19.485 6.054 10.606) 22.996 12.756 ( 6.816 5.989 11.698) 14.805 13.287 ( -13.316 13.483 1.646) 19.021 13.637 ( -17.367 -2.763 -0.555) 17.594 13.853 ( -24.348 18.987 -6.406) 31.533 14.232 ( -6.810 1.911 -23.844) 24.871 14.804 ( -2.651 -21.234 10.998) 24.059 15.054 ( -13.256 -21.267 -5.813) 25.725 15.207 ( -3.961 6.757 -4.304) 8.937 16.523 ( 4.182 -5.023 -5.965) 8.849 16.852 ( -0.230 -10.918 0.652) 10.940 17.090 ( 2.071 7.933 -1.695) 8.372 17.188 ( -1.200 -3.097 0.360) 3.341 17.377 ( 1.611 9.001 -10.560) 13.969 17.620 ( 5.967 2.327 -9.712) 11.633 17.816 ( -5.408 2.314 -0.862) 5.945 18.080 ( 5.876 -1.307 -0.763) 6.067 18.140 ( 8.801 -0.234 0.981) 8.858 18.525 ( 2.187 -35.289 -1.243) 35.379 18.610 ( -2.775 1.337 14.098) 14.431 18.854 ( -1.568 -7.127 -0.376) 7.307 18.872 ( -0.138 17.523 -5.145) 18.263 19.122 ( -1.024 4.358 2.354) 5.058 19.324 ( -4.421 14.452 13.369) 20.178 19.749 ( 5.522 3.207 -4.710) 7.935 19.926 ( -0.278 1.722 9.632) 9.788 20.052 ( 2.690 -13.159 2.559) 13.673 20.248 ( 6.310 -10.486 -3.947) 12.859 20.886 ( 12.977 1.227 6.762) 14.685 21.045 ( 11.700 -3.883 12.195) 17.340 21.158 ( -1.906 3.425 1.323) 4.137 21.461 ( -3.623 -3.489 21.947) 22.516 21.866 ( 1.571 19.647 -0.676) 19.721 21.945 ( -0.117 6.143 2.650) 6.691 22.013 ( 1.268 -0.977 10.308) 10.432 22.093 ( -7.925 3.514 0.888) 8.715 22.293 ( 4.390 0.756 -2.121) 4.934 22.509 ( 6.402 -0.997 -4.168) 7.704 22.579 ( 1.663 -2.606 -2.348) 3.883 22.720 ( -2.852 -0.795 -6.534) 7.173 23.190 ( 2.539 -0.384 -5.582) 6.144 23.315 ( 5.111 3.194 1.961) 6.338 23.363 ( 3.763 0.565 9.249) 10.002 23.424 ( -7.092 -5.480 6.242) 10.922 23.653 ( 6.074 4.186 -3.594) 8.206 23.750 ( 5.718 -1.365 2.108) 6.246 23.912 ( 2.396 -5.579 -2.653) 6.626 24.151 ( -11.576 4.319 1.796) 12.485 24.404 ( -1.614 -10.547 -4.951) 11.763 24.646 ( 8.899 -0.095 -20.236) 22.107 25.030 ( 5.218 -2.003 -6.892) 8.873 25.117 ( 4.908 -1.769 -2.863) 5.951 25.512 ( 0.632 6.369 2.388) 6.832 25.838 ( -7.979 0.373 1.364) 8.103 26.115 ( -5.075 -0.769 -5.349) 7.413 26.543 ( 1.727 -1.512 14.006) 14.193 26.939 ( 3.393 1.351 2.366) 4.352 28.247 ( -5.081 0.025 -4.230) 6.611 28.286 ( -3.805 1.915 0.987) 4.372 28.645 ( -1.565 5.262 -4.653) 7.196 28.909 ( -2.148 0.030 -0.569) 2.222 29.303 ( 0.913 -10.579 4.908) 11.698 29.555 ( 3.681 -0.324 -1.300) 3.917 29.721 ( 1.968 0.273 -1.070) 2.257 29.797 ( -2.875 -3.091 8.721) 9.689 30.195 ( 2.401 3.783 -9.590) 10.585 30.358 ( 2.233 0.306 -6.228) 6.623 30.646 ( 4.721 2.198 2.703) 5.867 30.793 ( 4.796 7.385 0.428) 8.817 31.197 ( 0.549 -4.830 2.236) 5.351 31.434 ( -5.135 -3.751 -2.174) 6.720 31.514 ( 5.028 0.885 -0.131) 5.107 31.747 ( -7.718 6.005 4.166) 10.630 32.397 ( -4.610 -4.376 7.668) 9.960 32.970 ( -4.891 1.807 -5.510) 7.586 34.499 ( 0.494 -3.507 -2.714) 4.462 34.741 ( -0.195 3.120 2.286) 3.872 49.648 ( -0.309 -1.548 -0.523) 1.663 50.588 ( 7.904 0.998 -12.563) 14.876 ======================= Grid point 105 (77/105) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( -42.940 -9.294 -0.000) 43.934 4.031 ( -79.032 10.283 0.000) 79.698 5.814 ( -88.751 31.345 0.000) 94.123 6.212 ( -2.119 -22.946 -0.000) 23.044 6.817 ( 16.835 -3.241 -0.000) 17.144 6.826 ( -16.233 14.232 0.000) 21.588 7.480 ( 0.815 50.745 0.000) 50.752 7.742 ( 5.135 2.776 0.000) 5.838 8.037 ( -2.221 23.591 0.000) 23.695 8.749 ( -2.365 -25.073 -0.000) 25.184 9.932 ( 9.429 1.738 0.000) 9.588 10.530 ( 5.333 -4.644 -0.000) 7.072 10.983 ( 0.844 -3.840 -0.000) 3.932 11.346 ( 9.576 7.760 0.000) 12.325 11.968 ( 8.111 -7.529 -0.000) 11.067 12.371 ( -11.161 -26.606 -0.000) 28.852 12.419 ( -4.499 -10.622 -0.000) 11.535 12.779 ( -19.204 -3.302 -0.000) 19.486 13.167 ( 3.390 -13.784 -0.000) 14.195 13.204 ( -9.554 11.721 0.000) 15.121 13.986 ( -12.822 1.360 0.000) 12.894 14.063 ( -26.230 32.045 0.000) 41.411 14.867 ( 13.687 13.215 0.000) 19.025 14.915 ( 9.671 -8.411 -0.000) 12.816 14.961 ( 9.437 -29.654 -0.000) 31.119 16.263 ( -9.617 -30.384 -0.000) 31.869 16.716 ( -0.163 6.455 0.000) 6.457 16.800 ( 6.072 20.018 0.000) 20.918 16.967 ( -2.817 5.806 0.000) 6.454 17.361 ( 5.506 -13.045 -0.000) 14.160 17.576 ( -8.530 12.361 0.000) 15.018 17.866 ( -5.325 12.671 0.000) 13.745 17.931 ( -7.290 -5.752 -0.000) 9.286 17.980 ( -0.804 4.668 0.000) 4.736 18.350 ( -2.793 6.472 0.000) 7.049 18.371 ( -2.107 4.491 0.000) 4.961 18.488 ( -2.849 0.861 0.000) 2.977 18.547 ( 3.423 9.105 0.000) 9.727 18.596 ( -17.301 2.268 0.000) 17.449 19.010 ( 25.096 0.073 -0.000) 25.096 19.184 ( -10.269 5.263 0.000) 11.539 19.583 ( 2.716 -56.184 -0.000) 56.249 19.834 ( 24.710 -7.885 -0.000) 25.938 20.017 ( 9.947 -1.842 -0.000) 10.116 20.179 ( 3.013 -9.359 -0.000) 9.832 20.341 ( 10.519 1.844 0.000) 10.679 20.826 ( 10.767 -11.560 -0.000) 15.798 20.974 ( 4.902 20.768 0.000) 21.339 21.168 ( -6.349 -7.707 -0.000) 9.986 21.485 ( -2.622 13.432 0.000) 13.686 21.734 ( -1.382 1.568 0.000) 2.090 21.788 ( -10.702 4.304 0.000) 11.535 22.009 ( 5.972 11.496 0.000) 12.954 22.376 ( -4.962 -4.355 -0.000) 6.602 22.462 ( 8.441 2.219 0.000) 8.728 22.691 ( 4.632 0.118 -0.000) 4.634 22.941 ( -3.434 -0.526 -0.000) 3.474 22.965 ( 1.396 0.803 0.000) 1.611 23.105 ( 2.263 3.668 0.000) 4.310 23.310 ( -6.173 -0.917 -0.000) 6.240 23.598 ( -0.038 -1.984 -0.000) 1.984 23.599 ( 2.244 -7.893 -0.000) 8.206 23.857 ( -1.169 1.461 0.000) 1.871 24.025 ( -14.788 12.996 0.000) 19.687 24.440 ( 11.150 -4.991 -0.000) 12.216 24.589 ( 22.878 4.557 0.000) 23.328 24.604 ( 15.207 -9.686 -0.000) 18.029 24.795 ( 15.852 -2.680 -0.000) 16.077 25.243 ( 6.509 -13.372 -0.000) 14.872 25.352 ( 0.987 8.294 0.000) 8.352 26.076 ( -8.978 -4.500 -0.000) 10.042 26.268 ( -10.638 0.286 0.000) 10.642 26.482 ( -1.382 1.376 0.000) 1.950 26.662 ( -4.243 0.412 0.000) 4.263 28.285 ( -4.142 4.308 0.000) 5.976 28.640 ( 1.555 1.195 0.000) 1.961 28.649 ( -8.486 -0.336 0.000) 8.492 28.757 ( -6.952 3.484 0.000) 7.776 29.442 ( 0.630 -2.829 -0.000) 2.898 29.557 ( 4.371 -0.291 -0.000) 4.381 29.655 ( 1.113 -5.140 -0.000) 5.259 29.746 ( -1.387 -5.884 -0.000) 6.045 30.103 ( 9.936 11.098 0.000) 14.896 30.405 ( 3.610 8.262 0.000) 9.016 30.521 ( 3.327 0.097 -0.000) 3.329 30.559 ( 5.883 -3.125 -0.000) 6.661 31.146 ( 0.076 2.361 0.000) 2.363 31.380 ( 3.634 1.366 0.000) 3.882 31.682 ( -10.320 6.889 0.000) 12.408 31.805 ( -5.194 -9.647 -0.000) 10.956 32.544 ( -11.530 -9.893 -0.000) 15.193 33.077 ( -1.497 4.580 0.000) 4.818 34.623 ( -1.979 5.344 0.000) 5.698 34.651 ( 2.011 -6.239 -0.000) 6.555 49.666 ( -0.701 0.658 0.000) 0.962 50.551 ( 18.505 6.444 0.000) 19.595 ======================= Grid point 108 (78/105) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -33.555 -0.000 3.916) 33.783 3.272 ( -15.160 0.000 -50.622) 52.843 5.928 ( -21.563 0.000 -76.522) 79.502 6.426 ( -1.607 -0.000 24.711) 24.763 6.739 ( -6.700 -0.000 -5.037) 8.383 6.958 ( -24.745 -0.000 47.819) 53.842 7.422 ( 19.475 0.000 -1.164) 19.510 7.893 ( -7.501 -0.000 1.438) 7.638 7.938 ( -0.944 -0.000 1.154) 1.491 8.627 ( -31.627 0.000 -74.146) 80.610 9.954 ( -20.320 -0.000 83.416) 85.856 10.271 ( 3.589 0.000 -23.753) 24.022 10.768 ( -0.344 0.000 -6.482) 6.492 11.549 ( 9.375 0.000 -7.435) 11.965 11.795 ( 9.584 0.000 -2.460) 9.895 12.132 ( -13.652 -0.000 -3.131) 14.007 12.748 ( 29.815 0.000 25.942) 39.521 12.762 ( 5.838 0.000 0.656) 5.875 12.987 ( 30.163 0.000 -3.003) 30.312 13.432 ( -2.974 -0.000 0.989) 3.134 13.650 ( -12.219 -0.000 10.422) 16.060 13.848 ( -23.026 -0.000 -9.235) 24.809 13.926 ( -22.763 -0.000 0.189) 22.764 14.838 ( -18.124 -0.000 -3.325) 18.426 15.102 ( -1.800 -0.000 27.769) 27.827 15.222 ( -19.760 -0.000 5.436) 20.494 16.372 ( 6.673 0.000 -0.330) 6.681 16.731 ( 3.606 0.000 1.376) 3.859 17.008 ( 6.111 0.000 -10.369) 12.036 17.049 ( 2.514 0.000 -17.391) 17.572 17.253 ( -2.662 -0.000 2.324) 3.534 17.577 ( -0.531 -0.000 6.378) 6.400 17.823 ( 1.648 0.000 -10.112) 10.246 17.970 ( 0.064 -0.000 3.619) 3.619 18.155 ( 5.974 0.000 -4.609) 7.545 18.320 ( 1.276 -0.000 7.261) 7.372 18.493 ( -6.954 0.000 -18.688) 19.940 18.791 ( 10.658 0.000 2.507) 10.949 18.952 ( 7.195 0.000 -7.674) 10.519 19.399 ( -4.041 -0.000 14.550) 15.101 19.613 ( -16.886 -0.000 -9.511) 19.381 19.793 ( 0.891 -0.000 2.229) 2.401 19.872 ( -0.024 0.000 -1.468) 1.468 19.971 ( -1.080 -0.000 16.481) 16.516 20.452 ( 8.857 -0.000 15.838) 18.146 20.936 ( 18.551 0.000 -16.412) 24.769 21.097 ( 18.099 0.000 9.389) 20.390 21.117 ( -0.977 0.000 -5.401) 5.488 21.822 ( -5.620 -0.000 13.244) 14.387 22.011 ( 7.611 0.000 -0.695) 7.642 22.039 ( 4.533 0.000 2.065) 4.981 22.101 ( -4.592 -0.000 -0.302) 4.602 22.257 ( -3.149 -0.000 -2.392) 3.954 22.328 ( 4.804 0.000 -10.824) 11.843 22.395 ( 0.635 0.000 -4.124) 4.173 22.438 ( -5.883 -0.000 3.588) 6.891 22.704 ( 1.004 -0.000 11.621) 11.664 23.043 ( -1.430 0.000 -3.545) 3.823 23.107 ( 3.170 0.000 -13.849) 14.207 23.438 ( -0.111 -0.000 4.231) 4.232 23.534 ( 12.903 0.000 -2.581) 13.159 23.818 ( 13.912 0.000 6.075) 15.181 23.850 ( -5.260 0.000 -12.640) 13.691 23.896 ( 2.553 -0.000 5.080) 5.685 24.060 ( 1.427 -0.000 17.612) 17.670 24.232 ( -0.583 0.000 -13.225) 13.238 24.508 ( -9.889 -0.000 7.940) 12.682 24.881 ( 1.765 0.000 -1.054) 2.055 25.090 ( 3.553 0.000 0.682) 3.618 25.624 ( 3.249 0.000 3.080) 4.477 25.922 ( -9.084 -0.000 4.493) 10.134 26.006 ( -4.929 -0.000 -3.438) 6.009 26.758 ( 1.137 -0.000 7.317) 7.405 26.911 ( 6.743 0.000 -6.439) 9.324 28.181 ( -7.788 -0.000 -2.388) 8.145 28.358 ( -1.409 -0.000 4.329) 4.552 28.585 ( -1.277 0.000 -6.774) 6.893 28.799 ( -3.445 0.000 -4.312) 5.520 29.349 ( 1.970 -0.000 6.265) 6.567 29.541 ( 4.202 0.000 0.419) 4.223 29.708 ( 1.542 0.000 -0.231) 1.560 29.926 ( -3.495 -0.000 5.703) 6.688 30.006 ( -0.530 0.000 -11.279) 11.292 30.239 ( 2.789 0.000 -5.003) 5.728 30.721 ( 8.182 0.000 3.424) 8.869 30.887 ( 6.292 0.000 -0.307) 6.300 31.185 ( -2.654 -0.000 1.381) 2.992 31.346 ( -8.763 -0.000 -1.525) 8.894 31.518 ( 10.698 0.000 -1.783) 10.846 31.899 ( -7.937 -0.000 4.447) 9.098 32.530 ( -1.741 -0.000 8.776) 8.947 32.864 ( -9.029 -0.000 -5.915) 10.794 34.415 ( 0.407 0.000 -1.796) 1.841 34.825 ( 0.042 -0.000 2.405) 2.406 49.605 ( -0.617 0.000 -1.130) 1.287 50.310 ( 5.269 0.000 -13.625) 14.608 ======================= Grid point 110 (79/105) ======================= q-point: (-0.19 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.902 ( 27.543 0.000 0.050) 27.543 4.915 ( -36.983 -0.000 1.878) 37.031 5.896 ( 28.013 0.000 -2.529) 28.127 6.804 ( -32.454 -0.000 6.017) 33.007 7.055 ( -2.929 -0.000 -1.789) 3.432 7.210 ( 13.785 0.000 -0.674) 13.801 7.545 ( 9.233 0.000 -0.148) 9.234 8.569 ( 39.080 0.000 -11.096) 40.624 8.713 ( -28.972 -0.000 -2.813) 29.108 9.676 ( 17.789 0.000 4.805) 18.426 9.848 ( -19.395 -0.000 1.255) 19.436 10.377 ( -25.460 -0.000 14.461) 29.281 10.565 ( -10.471 -0.000 -0.886) 10.508 11.150 ( 2.180 0.000 -17.601) 17.736 11.608 ( 4.272 -0.000 6.239) 7.561 12.284 ( -3.173 0.000 -12.850) 13.236 12.451 ( 23.654 0.000 6.133) 24.436 12.739 ( 6.357 -0.000 20.552) 21.513 13.501 ( -50.648 -0.000 2.281) 50.700 13.582 ( 3.887 0.000 -7.609) 8.544 14.349 ( 1.013 -0.000 29.137) 29.154 14.474 ( -11.989 -0.000 4.186) 12.699 15.024 ( -8.073 -0.000 -4.909) 9.449 15.274 ( -24.722 -0.000 -5.462) 25.318 16.153 ( 8.046 0.000 -3.794) 8.896 16.232 ( 11.636 0.000 -4.714) 12.555 16.504 ( 12.104 0.000 -0.053) 12.105 16.613 ( 1.979 0.000 -12.213) 12.373 16.903 ( -12.758 0.000 -14.816) 19.552 17.098 ( 6.926 -0.000 8.512) 10.973 17.277 ( 8.539 0.000 -1.336) 8.643 17.477 ( 2.998 0.000 -1.883) 3.541 17.595 ( 9.228 0.000 6.598) 11.344 17.759 ( 10.263 0.000 -7.149) 12.508 17.884 ( 8.194 0.000 -12.129) 14.637 18.308 ( 17.083 0.000 6.088) 18.135 18.358 ( -19.608 -0.000 -15.352) 24.903 18.513 ( 5.856 0.000 1.255) 5.989 19.044 ( -12.310 0.000 -13.728) 18.439 19.091 ( -24.402 -0.000 2.593) 24.539 19.149 ( 5.431 -0.000 14.447) 15.434 19.483 ( -11.551 -0.000 -5.733) 12.896 19.640 ( 4.292 -0.000 18.608) 19.096 19.722 ( -2.984 -0.000 1.769) 3.469 20.188 ( 19.109 0.000 -25.057) 31.512 20.589 ( -8.824 -0.000 16.214) 18.459 20.601 ( 1.082 0.000 -5.267) 5.377 20.617 ( -5.089 -0.000 1.854) 5.416 21.132 ( -5.912 -0.000 21.035) 21.850 21.674 ( 4.861 -0.000 11.124) 12.140 21.899 ( -1.711 -0.000 4.068) 4.413 22.136 ( 6.765 0.000 -1.692) 6.973 22.351 ( 0.819 0.000 -2.949) 3.060 22.387 ( 0.665 0.000 -1.726) 1.850 22.494 ( 8.730 0.000 0.107) 8.731 22.504 ( 1.587 0.000 -4.173) 4.465 22.787 ( 3.366 0.000 -3.067) 4.554 22.955 ( 3.303 0.000 1.851) 3.786 22.981 ( 7.884 0.000 0.892) 7.935 23.049 ( -6.713 -0.000 -2.303) 7.097 23.494 ( -2.548 -0.000 -0.424) 2.583 23.647 ( 2.345 0.000 -4.750) 5.298 23.718 ( 11.497 0.000 -3.044) 11.893 23.940 ( 3.191 0.000 -1.877) 3.703 23.964 ( -3.997 -0.000 -2.301) 4.612 24.101 ( 1.735 0.000 -4.727) 5.035 24.452 ( -5.868 -0.000 12.237) 13.571 24.653 ( 4.345 0.000 0.483) 4.372 24.813 ( -5.444 -0.000 0.841) 5.509 25.606 ( -0.859 -0.000 0.898) 1.243 26.334 ( -6.875 -0.000 -0.911) 6.935 26.425 ( 1.845 0.000 -3.147) 3.648 26.668 ( -6.136 -0.000 3.374) 7.002 26.780 ( 2.927 0.000 2.715) 3.992 28.410 ( 2.177 0.000 -0.405) 2.214 28.523 ( -1.433 -0.000 0.317) 1.468 29.057 ( -4.186 -0.000 -2.654) 4.956 29.074 ( -4.026 -0.000 -1.248) 4.215 29.206 ( 4.231 0.000 -4.487) 6.167 29.318 ( 1.303 0.000 -0.918) 1.594 29.587 ( 1.695 0.000 -0.796) 1.872 29.785 ( -6.373 -0.000 4.388) 7.738 29.880 ( 8.236 0.000 4.759) 9.512 30.107 ( 3.204 0.000 1.130) 3.397 30.323 ( 1.973 0.000 -1.208) 2.313 30.576 ( 3.730 0.000 -2.094) 4.278 31.133 ( 5.714 0.000 -0.983) 5.798 31.501 ( -4.524 -0.000 0.569) 4.560 31.743 ( -0.759 -0.000 -0.278) 0.809 32.275 ( -5.484 -0.000 0.990) 5.573 32.587 ( -5.599 -0.000 0.090) 5.599 33.250 ( -0.580 -0.000 -0.384) 0.695 34.407 ( 1.513 0.000 -0.091) 1.516 34.832 ( -1.944 -0.000 -0.319) 1.970 49.711 ( -1.199 -0.000 0.036) 1.200 49.971 ( 12.452 0.000 -1.858) 12.590 ======================= Grid point 111 (80/105) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 30.557 0.000) 30.557 1.595 ( -0.000 39.363 0.000) 39.363 2.421 ( -0.000 0.999 0.000) 0.999 5.027 ( -0.000 125.520 0.000) 125.520 6.390 ( 0.000 -4.400 -0.000) 4.400 6.910 ( -0.000 6.047 0.000) 6.047 7.252 ( 0.000 -4.507 -0.000) 4.507 7.811 ( -0.000 0.659 0.000) 0.659 8.331 ( 0.000 -6.634 -0.000) 6.634 9.446 ( 0.000 -44.549 -0.000) 44.549 9.907 ( 0.000 -14.063 -0.000) 14.063 10.844 ( -0.000 22.720 0.000) 22.720 10.849 ( 0.000 -13.518 -0.000) 13.518 11.117 ( -0.000 32.959 0.000) 32.959 12.027 ( -0.000 4.782 0.000) 4.782 12.394 ( 0.000 -34.895 -0.000) 34.895 12.469 ( -0.000 2.704 0.000) 2.704 12.793 ( -0.000 29.693 0.000) 29.693 12.807 ( 0.000 -18.676 -0.000) 18.676 13.070 ( 0.000 -5.845 -0.000) 5.845 13.805 ( 0.000 -15.421 -0.000) 15.421 14.090 ( 0.000 -43.317 -0.000) 43.317 14.880 ( -0.000 9.592 0.000) 9.592 15.221 ( 0.000 -0.839 -0.000) 0.839 16.216 ( -0.000 24.296 0.000) 24.296 16.547 ( 0.000 -40.595 -0.000) 40.595 16.636 ( -0.000 17.244 0.000) 17.244 16.728 ( 0.000 -36.346 -0.000) 36.346 16.944 ( -0.000 4.464 0.000) 4.464 16.975 ( -0.000 0.007 0.000) 0.007 16.991 ( -0.000 16.334 0.000) 16.334 17.516 ( -0.000 26.817 0.000) 26.817 17.517 ( -0.000 3.564 0.000) 3.564 17.924 ( 0.000 -20.514 -0.000) 20.514 18.035 ( -0.000 13.142 0.000) 13.142 18.103 ( -0.000 16.161 0.000) 16.161 18.314 ( -0.000 24.805 0.000) 24.805 18.496 ( -0.000 9.592 0.000) 9.592 18.729 ( 0.000 -4.471 -0.000) 4.471 18.819 ( 0.000 -21.905 -0.000) 21.905 19.485 ( 0.000 -2.409 -0.000) 2.409 19.999 ( -0.000 40.345 0.000) 40.345 20.152 ( -0.000 4.906 0.000) 4.906 20.477 ( -0.000 10.442 0.000) 10.442 20.784 ( 0.000 -39.253 -0.000) 39.253 20.793 ( 0.000 -6.497 -0.000) 6.497 20.986 ( 0.000 -2.403 -0.000) 2.403 21.018 ( 0.000 -12.344 -0.000) 12.344 21.322 ( 0.000 -10.296 -0.000) 10.296 21.369 ( 0.000 -17.211 -0.000) 17.211 21.471 ( -0.000 2.231 0.000) 2.231 21.730 ( 0.000 -4.179 -0.000) 4.179 22.231 ( 0.000 -6.159 -0.000) 6.159 22.444 ( -0.000 0.134 0.000) 0.134 22.532 ( -0.000 2.710 0.000) 2.710 22.737 ( -0.000 3.286 0.000) 3.286 22.752 ( -0.000 3.059 0.000) 3.059 22.833 ( -0.000 1.656 0.000) 1.656 23.052 ( -0.000 18.042 0.000) 18.042 23.109 ( 0.000 -0.447 -0.000) 0.447 23.253 ( -0.000 2.109 0.000) 2.109 23.615 ( 0.000 -2.412 -0.000) 2.412 23.777 ( -0.000 2.140 0.000) 2.140 24.072 ( 0.000 -10.677 -0.000) 10.677 24.822 ( -0.000 21.201 0.000) 21.201 24.923 ( 0.000 -5.275 -0.000) 5.275 24.938 ( 0.000 -3.356 -0.000) 3.356 25.276 ( 0.000 -0.702 -0.000) 0.702 25.503 ( 0.000 -5.101 -0.000) 5.101 25.661 ( 0.000 -14.093 -0.000) 14.093 25.900 ( 0.000 -5.767 -0.000) 5.767 26.000 ( 0.000 -0.611 -0.000) 0.611 26.414 ( -0.000 3.614 0.000) 3.614 26.530 ( -0.000 0.887 0.000) 0.887 28.102 ( -0.000 2.041 0.000) 2.041 28.351 ( -0.000 9.053 0.000) 9.053 28.514 ( 0.000 -2.768 -0.000) 2.768 28.739 ( 0.000 -1.795 -0.000) 1.795 29.436 ( -0.000 3.378 0.000) 3.378 29.661 ( 0.000 -0.701 -0.000) 0.701 29.757 ( -0.000 0.642 0.000) 0.642 29.859 ( 0.000 -9.205 -0.000) 9.205 29.929 ( -0.000 17.200 0.000) 17.200 30.328 ( -0.000 4.966 0.000) 4.966 30.766 ( 0.000 -4.149 -0.000) 4.149 30.862 ( 0.000 -8.694 -0.000) 8.694 31.164 ( -0.000 8.514 0.000) 8.514 31.290 ( -0.000 0.333 0.000) 0.333 31.402 ( -0.000 5.613 0.000) 5.613 31.833 ( 0.000 -11.564 -0.000) 11.564 32.267 ( 0.000 -2.723 -0.000) 2.723 32.977 ( -0.000 3.796 0.000) 3.796 34.489 ( -0.000 4.744 0.000) 4.744 34.806 ( 0.000 -5.085 -0.000) 5.085 49.651 ( -0.000 0.469 0.000) 0.469 51.059 ( 0.000 -0.528 -0.000) 0.528 ======================= Grid point 116 (81/105) ======================= q-point: ( 0.59 -0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -41.657 -3.449 0.698) 41.805 4.548 ( -62.310 4.698 33.779) 71.033 5.518 ( -3.116 -27.126 -16.380) 31.841 6.653 ( -64.084 16.397 24.963) 70.702 6.800 ( -1.787 2.810 2.519) 4.175 6.934 ( -6.615 0.624 2.426) 7.074 7.688 ( 3.643 7.460 -4.717) 9.548 7.903 ( 4.527 -3.659 2.688) 6.411 8.569 ( -8.070 -3.519 11.413) 14.414 8.879 ( -3.289 31.716 -16.794) 36.039 9.662 ( -17.647 15.600 -19.491) 30.572 10.655 ( 9.366 0.676 10.176) 13.847 10.902 ( 34.788 2.588 -0.495) 34.887 11.444 ( 23.040 -5.294 -2.415) 23.763 11.770 ( -14.846 -14.983 13.982) 25.306 11.982 ( 3.729 -19.119 4.283) 19.945 12.329 ( -4.074 7.417 -11.013) 13.889 12.613 ( 0.964 -2.114 -17.855) 18.006 12.879 ( -17.917 -2.288 1.722) 18.145 13.555 ( -11.219 15.188 -1.919) 18.979 13.973 ( -20.032 -7.116 5.164) 21.877 14.458 ( -3.182 9.400 -7.920) 12.697 14.627 ( -7.003 -13.250 10.514) 18.307 14.687 ( -18.234 -0.805 -0.293) 18.254 15.186 ( 12.899 18.761 -3.595) 23.050 15.676 ( -26.580 -20.021 -8.929) 34.453 16.635 ( -0.056 -3.262 -9.931) 10.453 16.993 ( 5.865 7.513 -7.241) 11.969 17.070 ( 2.771 -8.069 -1.415) 8.648 17.172 ( -1.817 4.959 0.568) 5.312 17.572 ( -5.707 -2.403 -10.716) 12.377 17.749 ( 4.113 3.926 -2.138) 6.075 17.872 ( 4.645 3.270 -17.041) 17.963 17.983 ( -10.261 7.630 -4.503) 13.556 18.184 ( 7.961 -1.815 -7.191) 10.880 18.470 ( -3.778 -10.994 5.143) 12.712 18.540 ( 1.000 -18.074 -0.169) 18.102 18.665 ( 3.990 -0.941 3.702) 5.523 18.909 ( 9.743 -4.201 5.766) 12.075 18.947 ( 6.367 10.179 9.731) 15.454 19.174 ( 5.796 5.777 14.106) 16.308 19.359 ( 3.718 8.721 3.844) 10.230 19.600 ( 4.833 -9.287 6.980) 12.583 20.070 ( 9.217 -2.788 -1.013) 9.683 20.299 ( 4.915 -4.470 6.455) 9.263 20.486 ( 8.299 1.968 9.287) 12.609 20.554 ( 2.536 -11.095 6.180) 12.951 21.055 ( 0.357 -6.580 10.499) 12.396 21.156 ( -0.110 -1.768 6.548) 6.783 21.749 ( 0.524 2.767 0.900) 2.956 21.820 ( -2.343 -0.166 6.535) 6.944 22.082 ( -6.206 19.487 -2.455) 20.598 22.228 ( 4.027 14.798 -2.310) 15.509 22.275 ( -7.222 -0.839 -2.036) 7.550 22.484 ( 6.700 2.431 -3.060) 7.757 22.643 ( 1.863 0.415 -2.943) 3.508 22.870 ( -4.855 -1.688 -1.875) 5.472 22.995 ( 9.492 2.662 0.887) 9.898 23.171 ( 6.654 2.073 -1.751) 7.186 23.286 ( 6.250 -4.115 -0.856) 7.532 23.476 ( -11.203 -1.086 5.167) 12.385 23.638 ( -2.969 -2.847 3.867) 5.645 23.783 ( -1.991 1.719 -6.933) 7.415 24.044 ( 8.661 -8.853 -16.226) 20.413 24.293 ( -7.897 3.129 2.052) 8.738 24.407 ( 4.751 -9.675 0.711) 10.802 24.599 ( 22.200 1.842 -4.447) 22.716 24.893 ( 16.487 1.429 6.290) 17.704 25.003 ( 8.062 -5.761 -5.275) 11.225 25.516 ( -0.934 5.796 1.570) 6.077 25.989 ( -9.661 -2.947 -0.063) 10.101 26.344 ( -6.141 0.492 2.133) 6.519 26.361 ( -6.081 -0.160 -3.007) 6.786 26.804 ( -0.307 0.524 6.959) 6.985 28.338 ( -3.008 1.593 -1.186) 3.605 28.493 ( -5.245 -0.050 -5.702) 7.748 28.743 ( -3.444 3.029 0.749) 4.647 28.919 ( -3.601 5.941 3.236) 7.663 29.295 ( -0.749 -9.360 -3.978) 10.198 29.517 ( 4.042 -1.105 -1.798) 4.560 29.633 ( -1.261 -3.683 8.871) 9.688 29.700 ( 2.201 -0.799 -0.366) 2.370 30.213 ( 8.801 4.103 -2.468) 10.019 30.373 ( 7.100 -2.951 -2.916) 8.223 30.513 ( 5.933 -0.156 0.025) 5.935 30.701 ( 3.325 9.855 -0.085) 10.401 31.184 ( -4.688 -0.371 1.996) 5.109 31.389 ( 5.950 1.554 -1.757) 6.395 31.635 ( -6.142 -5.842 -1.598) 8.626 31.847 ( -10.108 6.959 2.766) 12.579 32.416 ( -8.423 -7.388 3.303) 11.681 33.126 ( -3.444 2.584 -1.680) 4.622 34.529 ( 1.913 -4.032 -1.875) 4.840 34.717 ( -1.714 3.075 1.276) 3.745 49.670 ( -0.768 -0.056 -0.426) 0.880 50.554 ( 15.758 2.069 -6.406) 17.136 ======================= Grid point 122 (82/105) ======================= q-point: ( 0.38 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 0.000 0.834 3.188) 3.295 3.161 ( -0.000 25.293 57.316) 62.649 3.276 ( 0.000 12.284 110.377) 111.058 5.942 ( 0.000 -13.841 -18.217) 22.879 6.727 ( -0.000 11.082 1.223) 11.149 7.030 ( -0.000 5.747 -11.703) 13.038 7.687 ( -0.000 78.880 9.048) 79.398 7.801 ( -0.000 -0.238 -2.971) 2.980 8.186 ( 0.000 -14.467 -0.202) 14.469 8.795 ( 0.000 -15.825 3.246) 16.155 8.932 ( -0.000 -9.016 -53.545) 54.299 11.051 ( 0.000 -16.892 26.301) 31.259 11.381 ( -0.000 20.224 11.695) 23.362 11.803 ( 0.000 -30.204 5.388) 30.681 11.896 ( -0.000 43.864 4.839) 44.130 12.046 ( 0.000 -9.274 3.619) 9.955 12.387 ( 0.000 -11.147 -6.508) 12.908 12.617 ( -0.000 3.187 2.321) 3.943 12.979 ( -0.000 -0.238 -0.860) 0.892 13.122 ( 0.000 -26.039 -31.595) 40.942 13.314 ( -0.000 25.332 -2.659) 25.471 13.469 ( 0.000 -17.864 1.128) 17.900 14.842 ( -0.000 -0.452 -29.346) 29.349 15.033 ( -0.000 17.802 -8.212) 19.605 15.412 ( 0.000 -30.938 -21.735) 37.810 15.797 ( 0.000 -39.022 -10.412) 40.387 16.751 ( -0.000 10.169 8.237) 13.086 16.757 ( -0.000 0.728 -6.535) 6.575 16.965 ( -0.000 7.696 -2.740) 8.169 17.190 ( -0.000 16.327 0.609) 16.339 17.253 ( 0.000 -1.380 1.320) 1.910 17.598 ( 0.000 -13.779 7.551) 15.712 17.853 ( -0.000 20.328 -8.302) 21.958 17.911 ( 0.000 5.754 22.691) 23.410 18.388 ( 0.000 -19.485 5.542) 20.258 18.458 ( -0.000 25.793 -4.427) 26.170 18.476 ( -0.000 6.642 -14.005) 15.501 18.679 ( 0.000 6.895 21.017) 22.119 18.755 ( 0.000 -6.400 11.807) 13.430 18.867 ( -0.000 17.524 2.045) 17.643 19.591 ( 0.000 -54.695 -1.413) 54.714 19.615 ( 0.000 2.977 10.552) 10.964 20.092 ( 0.000 -2.872 -1.693) 3.334 20.308 ( -0.000 -3.817 -22.428) 22.751 20.704 ( -0.000 18.483 6.906) 19.731 20.742 ( 0.000 -7.769 -11.830) 14.153 20.896 ( 0.000 -5.888 4.043) 7.142 21.101 ( 0.000 -3.463 13.247) 13.692 21.145 ( 0.000 -6.565 9.769) 11.770 21.341 ( -0.000 21.274 2.974) 21.481 21.730 ( 0.000 -0.948 14.964) 14.994 21.828 ( 0.000 -3.298 11.643) 12.101 22.066 ( 0.000 -9.052 -0.532) 9.067 22.459 ( -0.000 2.863 -7.269) 7.813 22.496 ( 0.000 -0.055 4.294) 4.294 22.773 ( -0.000 2.591 -7.926) 8.339 22.806 ( -0.000 2.339 -0.782) 2.467 23.000 ( 0.000 -2.154 17.033) 17.169 23.118 ( -0.000 1.627 1.463) 2.188 23.316 ( -0.000 3.281 0.820) 3.382 23.444 ( -0.000 16.404 4.288) 16.955 23.508 ( 0.000 -4.484 -5.033) 6.741 23.799 ( 0.000 -1.824 2.509) 3.102 23.917 ( 0.000 -4.959 1.734) 5.254 24.524 ( -0.000 -7.499 -24.141) 25.279 24.743 ( 0.000 -5.470 -6.170) 8.246 25.113 ( -0.000 2.219 -14.150) 14.323 25.253 ( -0.000 10.783 5.119) 11.936 25.321 ( 0.000 -4.295 -9.519) 10.443 25.367 ( 0.000 -9.866 -1.804) 10.030 25.757 ( 0.000 -2.699 -0.845) 2.828 26.211 ( -0.000 1.033 -4.875) 4.983 26.284 ( 0.000 -2.692 12.157) 12.451 26.783 ( 0.000 2.197 10.728) 10.951 28.167 ( -0.000 3.243 1.111) 3.428 28.323 ( -0.000 1.055 -8.271) 8.338 28.580 ( -0.000 6.397 -0.745) 6.440 28.796 ( 0.000 -0.068 6.432) 6.433 29.447 ( 0.000 -5.423 0.972) 5.510 29.633 ( 0.000 -0.674 -1.173) 1.353 29.711 ( 0.000 -9.919 5.764) 11.472 29.758 ( -0.000 0.673 -1.038) 1.237 30.241 ( -0.000 17.226 -4.852) 17.897 30.377 ( -0.000 6.192 -4.191) 7.477 30.665 ( 0.000 -4.863 -1.312) 5.037 30.781 ( 0.000 -2.285 2.542) 3.418 31.278 ( 0.000 -3.589 1.418) 3.859 31.368 ( -0.000 9.280 3.141) 9.797 31.528 ( -0.000 4.240 2.459) 4.901 31.586 ( 0.000 -10.381 -3.056) 10.822 32.267 ( 0.000 -3.885 5.525) 6.755 32.996 ( -0.000 2.696 -3.994) 4.819 34.576 ( -0.000 3.136 -0.223) 3.144 34.694 ( 0.000 -3.776 -0.831) 3.867 49.664 ( 0.000 -0.337 0.552) 0.647 50.903 ( -0.000 2.680 -12.195) 12.486 ======================= Grid point 123 (83/105) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( 54.006 0.000 -0.000) 54.006 5.381 ( 28.227 0.000 -0.000) 28.227 5.487 ( -19.033 -0.000 0.000) 19.033 6.899 ( 14.573 0.000 -0.000) 14.573 7.022 ( 15.693 0.000 -0.000) 15.693 7.155 ( -11.209 -0.000 0.000) 11.209 7.349 ( 10.249 0.000 -0.000) 10.249 7.798 ( 35.174 0.000 -0.000) 35.174 9.478 ( -1.985 -0.000 0.000) 1.985 9.629 ( -51.348 -0.000 0.000) 51.348 9.982 ( 71.440 0.000 -0.000) 71.440 10.306 ( -20.729 -0.000 0.000) 20.729 10.830 ( -32.536 -0.000 0.000) 32.536 11.039 ( 10.059 0.000 -0.000) 10.059 11.417 ( 6.062 0.000 -0.000) 6.062 12.098 ( 13.322 0.000 -0.000) 13.322 12.487 ( -7.948 -0.000 0.000) 7.948 12.747 ( -5.300 -0.000 0.000) 5.300 13.492 ( 7.768 0.000 -0.000) 7.768 13.650 ( 0.203 0.000 -0.000) 0.203 14.413 ( -20.898 -0.000 0.000) 20.898 14.685 ( -11.467 -0.000 0.000) 11.467 15.192 ( 26.576 0.000 -0.000) 26.576 15.798 ( -16.150 -0.000 0.000) 16.150 15.987 ( 31.618 0.000 -0.000) 31.618 16.016 ( -36.367 -0.000 0.000) 36.367 16.353 ( 1.037 0.000 -0.000) 1.037 16.764 ( 8.422 0.000 -0.000) 8.422 16.835 ( -1.126 -0.000 0.000) 1.126 16.954 ( -1.773 -0.000 0.000) 1.773 17.283 ( 13.903 0.000 -0.000) 13.903 17.431 ( 1.949 0.000 -0.000) 1.949 17.443 ( -3.760 -0.000 0.000) 3.760 17.723 ( 16.700 0.000 -0.000) 16.700 17.784 ( 5.633 0.000 -0.000) 5.633 17.972 ( 7.383 0.000 -0.000) 7.383 18.710 ( -15.856 -0.000 0.000) 15.856 18.784 ( 10.274 0.000 -0.000) 10.274 18.847 ( -12.438 -0.000 0.000) 12.438 19.215 ( -5.034 -0.000 0.000) 5.034 19.369 ( -5.650 -0.000 0.000) 5.650 19.548 ( 3.693 0.000 -0.000) 3.693 19.651 ( -19.104 -0.000 0.000) 19.104 20.197 ( -8.174 -0.000 0.000) 8.174 20.318 ( 13.779 0.000 -0.000) 13.779 20.458 ( 13.581 0.000 -0.000) 13.581 20.481 ( -17.306 -0.000 0.000) 17.306 20.736 ( -7.736 -0.000 0.000) 7.736 21.086 ( -12.595 -0.000 0.000) 12.595 21.401 ( -3.009 -0.000 0.000) 3.009 21.900 ( -1.040 -0.000 0.000) 1.040 22.028 ( 6.289 0.000 -0.000) 6.289 22.252 ( 7.411 0.000 -0.000) 7.411 22.270 ( 7.072 0.000 -0.000) 7.072 22.435 ( 2.220 0.000 -0.000) 2.220 22.516 ( 3.046 0.000 -0.000) 3.046 22.775 ( 1.935 0.000 -0.000) 1.935 22.866 ( 0.926 0.000 -0.000) 0.926 22.912 ( -5.985 -0.000 0.000) 5.985 23.221 ( -8.141 -0.000 0.000) 8.141 23.612 ( -1.571 -0.000 0.000) 1.571 23.654 ( 1.922 0.000 -0.000) 1.922 23.728 ( -8.710 -0.000 0.000) 8.710 23.848 ( 4.998 0.000 -0.000) 4.998 24.072 ( 1.895 0.000 -0.000) 1.895 24.084 ( -6.138 -0.000 0.000) 6.138 24.446 ( 11.582 0.000 -0.000) 11.582 24.604 ( -14.466 -0.000 0.000) 14.466 24.952 ( -8.178 -0.000 0.000) 8.178 25.631 ( -2.557 -0.000 0.000) 2.557 26.401 ( 4.706 0.000 -0.000) 4.706 26.459 ( -2.910 -0.000 0.000) 2.910 26.653 ( 6.558 0.000 -0.000) 6.558 26.698 ( -1.583 -0.000 0.000) 1.583 28.307 ( 5.545 0.000 -0.000) 5.545 28.575 ( -2.449 -0.000 0.000) 2.449 29.115 ( 7.967 0.000 -0.000) 7.967 29.138 ( 3.409 0.000 -0.000) 3.409 29.181 ( -5.328 -0.000 0.000) 5.328 29.352 ( -3.540 -0.000 0.000) 3.540 29.579 ( 1.333 0.000 -0.000) 1.333 29.662 ( 3.638 0.000 -0.000) 3.638 29.913 ( -7.356 -0.000 0.000) 7.356 30.006 ( 2.992 0.000 -0.000) 2.992 30.355 ( -3.287 -0.000 0.000) 3.287 30.567 ( -0.599 -0.000 0.000) 0.599 31.041 ( 3.652 0.000 -0.000) 3.652 31.532 ( 0.869 0.000 -0.000) 0.869 31.717 ( 3.562 0.000 -0.000) 3.562 32.338 ( -1.497 -0.000 0.000) 1.497 32.703 ( -5.282 -0.000 0.000) 5.282 33.243 ( 1.662 0.000 -0.000) 1.662 34.383 ( 0.812 0.000 -0.000) 0.812 34.872 ( -1.456 -0.000 0.000) 1.456 49.727 ( -0.759 -0.000 0.000) 0.759 49.777 ( 8.246 0.000 -0.000) 8.246 ======================= Grid point 124 (84/105) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -41.829 -0.000 3.431) 41.970 4.521 ( -18.581 0.000 -32.931) 37.812 5.691 ( -30.078 -0.000 51.361) 59.520 6.773 ( 4.680 0.000 -2.925) 5.519 6.956 ( 14.208 0.000 -0.260) 14.210 7.091 ( -23.226 -0.000 0.918) 23.244 7.774 ( -4.100 0.000 -12.339) 13.002 8.034 ( -20.072 -0.000 10.288) 22.555 8.114 ( -14.131 0.000 -46.414) 48.517 9.193 ( -44.484 -0.000 54.641) 70.459 9.747 ( -7.241 -0.000 -7.645) 10.530 10.770 ( 4.989 0.000 -1.104) 5.110 11.079 ( 49.153 0.000 11.103) 50.391 11.158 ( 9.237 0.000 -21.638) 23.528 11.627 ( -0.910 0.000 -21.501) 21.520 12.080 ( 1.544 0.000 0.623) 1.665 12.085 ( -14.161 -0.000 21.513) 25.756 12.505 ( 17.740 0.000 -8.116) 19.508 12.855 ( -16.929 -0.000 3.094) 17.209 13.590 ( -7.120 -0.000 -5.743) 9.147 13.932 ( -18.640 -0.000 -1.669) 18.715 14.364 ( -10.366 -0.000 -7.918) 13.044 14.737 ( -7.518 -0.000 16.588) 18.213 14.787 ( -41.620 -0.000 -6.142) 42.071 15.268 ( 5.441 0.000 -8.259) 9.890 15.397 ( -32.516 -0.000 6.968) 33.254 16.386 ( 3.574 0.000 -9.740) 10.375 16.699 ( 1.733 0.000 -8.173) 8.355 17.022 ( 12.300 0.000 -9.222) 15.373 17.248 ( -5.215 -0.000 8.588) 10.048 17.394 ( 6.516 0.000 -21.642) 22.602 17.454 ( 3.957 0.000 -4.532) 6.017 17.866 ( 3.743 -0.000 11.973) 12.544 17.931 ( 4.780 0.000 -6.057) 7.716 18.108 ( 9.202 0.000 -5.219) 10.579 18.117 ( -7.119 -0.000 1.676) 7.314 18.695 ( 9.333 0.000 -0.416) 9.342 18.738 ( -5.426 -0.000 1.263) 5.571 18.999 ( 20.944 0.000 11.876) 24.077 19.058 ( -1.090 0.000 -9.782) 9.843 19.623 ( 0.757 -0.000 11.571) 11.596 19.649 ( 7.432 -0.000 13.539) 15.445 19.759 ( 1.080 -0.000 20.898) 20.926 19.958 ( 7.650 0.000 -9.229) 11.987 20.144 ( -16.352 -0.000 -2.686) 16.572 20.592 ( 25.402 0.000 2.557) 25.530 20.681 ( 5.559 -0.000 7.625) 9.436 21.134 ( 10.745 0.000 -4.260) 11.558 21.509 ( -3.697 -0.000 24.863) 25.137 21.823 ( 1.888 -0.000 4.848) 5.202 21.986 ( -1.529 -0.000 6.220) 6.405 22.187 ( 1.934 -0.000 2.186) 2.919 22.220 ( -6.521 -0.000 -0.544) 6.543 22.357 ( 6.300 0.000 -3.529) 7.221 22.391 ( -1.427 0.000 -4.463) 4.685 22.611 ( -6.806 -0.000 -5.670) 8.858 22.792 ( -4.971 -0.000 -4.265) 6.549 23.060 ( 8.861 0.000 -5.306) 10.328 23.131 ( 17.388 0.000 5.299) 18.178 23.328 ( 4.012 0.000 3.404) 5.261 23.408 ( -0.739 0.000 -13.728) 13.748 23.693 ( -1.472 0.000 -3.662) 3.946 23.727 ( -8.200 -0.000 11.280) 13.946 23.755 ( 5.047 0.000 1.516) 5.269 24.128 ( 5.479 0.000 -7.313) 9.138 24.373 ( 10.944 0.000 -7.515) 13.276 24.566 ( -5.575 -0.000 1.271) 5.718 24.844 ( 8.660 0.000 -3.983) 9.532 24.978 ( 8.925 0.000 1.075) 8.989 25.593 ( -1.587 -0.000 0.231) 1.604 26.008 ( -8.892 -0.000 3.937) 9.725 26.220 ( -6.762 -0.000 -5.056) 8.443 26.547 ( -3.116 -0.000 10.810) 11.251 26.886 ( 2.593 0.000 -0.166) 2.598 28.319 ( -2.794 -0.000 -0.386) 2.821 28.418 ( -6.103 -0.000 -2.581) 6.626 28.743 ( -3.259 0.000 -4.084) 5.225 28.995 ( -4.765 0.000 -6.367) 7.952 29.157 ( 1.832 -0.000 7.202) 7.431 29.467 ( 4.847 0.000 -1.946) 5.223 29.674 ( 2.889 0.000 -0.730) 2.980 29.820 ( -2.451 -0.000 10.322) 10.609 30.167 ( 4.294 0.000 -5.866) 7.270 30.263 ( 5.431 0.000 -4.644) 7.146 30.517 ( 7.556 0.000 0.796) 7.598 30.773 ( 7.536 0.000 -1.982) 7.792 31.234 ( -7.672 -0.000 2.903) 8.202 31.361 ( 8.487 0.000 -2.256) 8.781 31.547 ( -7.571 -0.000 -1.565) 7.731 31.996 ( -9.860 -0.000 3.651) 10.514 32.435 ( -4.625 -0.000 5.906) 7.501 33.103 ( -5.790 -0.000 -2.789) 6.427 34.445 ( 1.119 0.000 -2.184) 2.454 34.782 ( -0.801 -0.000 1.946) 2.104 49.648 ( -1.095 -0.000 -1.179) 1.609 50.392 ( 12.255 0.000 -10.183) 15.934 ======================= Grid point 129 (85/105) ======================= q-point: ( 0.57 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -41.315 -4.479 -0.000) 41.557 5.622 ( -27.345 -4.638 -0.000) 27.735 5.650 ( -31.471 -20.245 -0.000) 37.420 6.414 ( 21.808 0.180 -0.000) 21.809 6.973 ( -5.345 2.864 0.000) 6.064 7.517 ( 15.496 4.674 0.000) 16.186 7.679 ( 7.490 3.344 0.000) 8.202 8.016 ( -49.770 40.843 0.000) 64.383 8.544 ( -4.647 -6.051 -0.000) 7.630 9.120 ( -23.326 11.468 0.000) 25.993 9.876 ( 10.649 20.494 0.000) 23.095 10.249 ( 29.965 -0.302 -0.000) 29.966 10.836 ( -11.115 -24.363 -0.000) 26.779 11.164 ( -5.402 9.381 0.000) 10.825 11.941 ( -18.127 -16.556 -0.000) 24.550 12.028 ( 3.545 -18.081 -0.000) 18.425 12.484 ( -0.452 5.202 0.000) 5.221 12.679 ( 9.126 -7.156 -0.000) 11.597 13.120 ( -18.255 1.773 0.000) 18.341 13.724 ( -4.717 5.130 0.000) 6.969 14.246 ( -18.216 -8.468 -0.000) 20.088 14.263 ( 21.701 -10.961 -0.000) 24.312 14.700 ( -20.114 -5.381 -0.000) 20.821 14.934 ( 8.155 19.480 0.000) 21.118 15.306 ( -26.301 27.903 0.000) 38.345 16.296 ( -23.034 2.787 0.000) 23.202 16.759 ( 7.657 4.721 0.000) 8.995 16.952 ( 4.577 -12.314 -0.000) 13.137 16.976 ( 9.343 -1.657 -0.000) 9.489 17.039 ( 0.261 3.252 0.000) 3.262 17.654 ( 4.306 -4.693 -0.000) 6.369 17.802 ( 19.193 -3.130 -0.000) 19.446 17.962 ( 27.921 5.576 0.000) 28.472 18.063 ( -7.808 3.277 0.000) 8.468 18.294 ( -3.200 -3.723 -0.000) 4.910 18.420 ( 0.856 9.414 0.000) 9.452 18.512 ( 5.926 -41.875 -0.000) 42.292 18.612 ( 8.608 -0.363 -0.000) 8.615 18.664 ( -6.151 3.809 0.000) 7.235 18.760 ( -10.370 3.010 0.000) 10.798 19.194 ( 11.728 -16.808 -0.000) 20.495 19.284 ( -34.241 3.464 0.000) 34.416 19.446 ( -3.350 7.767 0.000) 8.458 19.812 ( 12.406 -0.870 -0.000) 12.437 20.081 ( -3.363 -3.140 -0.000) 4.601 20.306 ( 3.130 11.431 0.000) 11.852 20.496 ( 2.127 -4.083 -0.000) 4.604 20.957 ( -1.448 -8.588 -0.000) 8.709 21.033 ( 6.652 -8.505 -0.000) 10.797 21.724 ( 7.381 3.539 0.000) 8.186 21.802 ( -2.859 0.606 0.000) 2.922 22.180 ( 1.831 16.911 0.000) 17.010 22.246 ( -2.651 25.556 0.000) 25.693 22.314 ( 8.890 0.761 0.000) 8.922 22.425 ( -5.185 -2.127 -0.000) 5.604 22.622 ( 2.893 0.273 0.000) 2.906 22.924 ( 0.105 -0.414 -0.000) 0.427 22.981 ( -2.201 -1.803 -0.000) 2.845 23.009 ( 9.838 -1.626 -0.000) 9.972 23.153 ( 7.940 0.271 -0.000) 7.945 23.547 ( 0.908 -2.173 -0.000) 2.355 23.829 ( -18.259 0.158 0.000) 18.260 23.915 ( -2.660 1.289 0.000) 2.956 24.066 ( 13.386 -13.491 -0.000) 19.005 24.103 ( 19.393 0.590 -0.000) 19.402 24.186 ( 10.473 -6.191 -0.000) 12.166 24.425 ( 11.078 -1.856 -0.000) 11.233 24.521 ( -8.133 6.422 0.000) 10.363 24.905 ( 7.928 -7.099 -0.000) 10.641 25.501 ( -0.470 7.082 0.000) 7.098 26.199 ( -9.934 -2.578 -0.000) 10.263 26.468 ( -7.476 0.700 0.000) 7.509 26.516 ( -1.662 -0.558 -0.000) 1.753 26.732 ( -2.135 0.046 0.000) 2.135 28.421 ( -3.663 2.016 0.000) 4.181 28.545 ( 4.642 -1.941 -0.000) 5.031 28.870 ( -10.501 2.704 0.000) 10.843 28.972 ( -3.937 4.883 0.000) 6.272 29.361 ( 1.064 -3.333 -0.000) 3.498 29.443 ( 5.702 -2.117 -0.000) 6.082 29.582 ( -3.347 -2.670 -0.000) 4.281 29.683 ( -1.894 -4.511 -0.000) 4.893 30.007 ( 12.073 4.116 0.000) 12.755 30.242 ( 7.938 -1.859 -0.000) 8.152 30.407 ( 4.423 -1.692 -0.000) 4.736 30.640 ( 4.026 6.162 0.000) 7.360 31.287 ( 6.636 -0.276 -0.000) 6.641 31.297 ( -7.637 5.043 0.000) 9.152 31.749 ( -3.674 -5.289 -0.000) 6.440 32.017 ( -9.194 7.674 0.000) 11.976 32.554 ( -8.074 -9.126 -0.000) 12.185 33.192 ( -1.946 3.467 0.000) 3.976 34.500 ( 2.389 -4.787 -0.000) 5.350 34.753 ( -2.574 3.443 0.000) 4.299 49.694 ( -1.233 -0.008 0.000) 1.233 50.280 ( 16.979 2.180 0.000) 17.119 ======================= Grid point 130 (86/105) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.000 -0.418 1.129) 1.204 4.610 ( 0.000 -43.424 -30.020) 52.791 4.927 ( 0.000 13.727 72.691) 73.976 5.683 ( 0.000 3.022 73.588) 73.650 6.751 ( -0.000 1.046 -2.989) 3.167 7.118 ( -0.000 22.136 -0.036) 22.136 7.256 ( -0.000 -5.376 -59.184) 59.428 7.932 ( 0.000 -18.242 12.289) 21.995 7.991 ( -0.000 -0.051 -13.075) 13.075 8.729 ( 0.000 2.553 14.247) 14.474 9.152 ( -0.000 43.914 -17.273) 47.189 10.983 ( 0.000 -18.354 2.805) 18.567 11.272 ( -0.000 5.162 -69.805) 69.995 11.660 ( 0.000 -12.355 15.688) 19.969 11.997 ( 0.000 -15.807 9.898) 18.650 12.172 ( -0.000 -4.009 -10.423) 11.167 12.240 ( -0.000 12.409 13.631) 18.433 12.859 ( 0.000 0.758 11.870) 11.894 12.874 ( -0.000 47.776 4.041) 47.947 13.061 ( 0.000 2.091 8.603) 8.854 13.361 ( 0.000 -5.742 10.842) 12.269 13.578 ( -0.000 14.300 -9.238) 17.024 14.180 ( -0.000 2.013 -32.646) 32.708 14.778 ( 0.000 -23.381 12.987) 26.746 14.858 ( 0.000 -46.488 -0.057) 46.488 15.209 ( -0.000 22.159 -15.379) 26.973 16.575 ( 0.000 -5.601 -5.416) 7.791 16.841 ( 0.000 -10.131 2.564) 10.450 17.072 ( -0.000 4.967 0.911) 5.050 17.203 ( 0.000 -1.568 -0.831) 1.775 17.405 ( -0.000 14.258 -10.026) 17.431 17.710 ( -0.000 8.683 5.103) 10.072 17.743 ( -0.000 -5.844 -16.272) 17.289 18.118 ( -0.000 2.631 -9.148) 9.519 18.295 ( 0.000 -7.853 3.651) 8.660 18.546 ( 0.000 5.231 23.431) 24.008 18.553 ( 0.000 -39.477 -2.229) 39.540 18.748 ( -0.000 4.425 -1.198) 4.584 18.926 ( -0.000 6.517 6.241) 9.023 19.082 ( -0.000 6.534 -6.577) 9.271 19.306 ( -0.000 17.137 14.775) 22.627 19.812 ( -0.000 0.513 -15.303) 15.311 19.889 ( 0.000 -0.223 0.803) 0.834 20.107 ( 0.000 -11.609 5.772) 12.965 20.296 ( 0.000 -10.729 2.505) 11.018 21.068 ( 0.000 0.655 9.319) 9.342 21.093 ( -0.000 9.293 2.706) 9.679 21.237 ( 0.000 -3.657 7.631) 8.462 21.376 ( 0.000 -5.479 23.660) 24.286 21.849 ( -0.000 22.720 -1.529) 22.771 21.963 ( 0.000 0.056 7.224) 7.225 21.994 ( -0.000 6.628 2.383) 7.043 22.031 ( 0.000 -2.595 11.785) 12.067 22.357 ( -0.000 1.294 -6.578) 6.704 22.579 ( 0.000 -6.813 8.091) 10.577 22.613 ( -0.000 1.505 -10.949) 11.052 22.694 ( -0.000 -1.249 -9.358) 9.441 23.212 ( -0.000 0.182 -4.698) 4.701 23.293 ( 0.000 -6.467 13.444) 14.919 23.322 ( 0.000 -1.773 1.824) 2.543 23.465 ( -0.000 3.883 8.220) 9.091 23.779 ( -0.000 9.140 2.492) 9.473 23.855 ( 0.000 -3.088 6.090) 6.828 23.933 ( -0.000 -2.614 -11.328) 11.625 23.948 ( -0.000 4.150 1.965) 4.591 24.379 ( 0.000 -14.584 -9.835) 17.590 24.748 ( -0.000 1.530 -24.101) 24.150 25.072 ( -0.000 -1.848 -7.538) 7.761 25.160 ( 0.000 -2.815 -3.481) 4.477 25.544 ( -0.000 6.847 4.213) 8.039 25.735 ( 0.000 -0.596 1.301) 1.431 26.062 ( -0.000 0.400 -6.548) 6.560 26.569 ( 0.000 -2.416 14.691) 14.889 26.981 ( -0.000 1.766 4.065) 4.432 28.180 ( -0.000 -0.358 -4.870) 4.883 28.255 ( -0.000 2.772 1.201) 3.021 28.630 ( -0.000 5.734 -4.885) 7.532 28.887 ( 0.000 -0.859 -0.563) 1.027 29.312 ( 0.000 -10.668 5.715) 12.102 29.599 ( -0.000 -0.347 -0.972) 1.032 29.742 ( -0.000 0.343 -1.301) 1.346 29.761 ( 0.000 -2.839 8.074) 8.559 30.218 ( -0.000 3.420 -11.082) 11.598 30.379 ( -0.000 1.944 -6.254) 6.549 30.694 ( -0.000 3.638 3.304) 4.915 30.850 ( -0.000 6.093 1.065) 6.186 31.219 ( 0.000 -6.720 2.700) 7.242 31.354 ( 0.000 -5.877 -4.277) 7.269 31.611 ( -0.000 6.595 5.268) 8.440 31.634 ( -0.000 2.317 1.371) 2.693 32.349 ( 0.000 -3.185 8.697) 9.262 32.916 ( -0.000 1.285 -7.098) 7.214 34.504 ( 0.000 -3.244 -2.853) 4.320 34.740 ( -0.000 2.990 2.404) 3.837 49.646 ( 0.000 -1.800 -0.473) 1.861 50.669 ( -0.000 0.748 -13.838) 13.858 ======================= Grid point 136 (87/105) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -68.805 16.181 0.000) 70.682 2.655 ( -36.578 -4.410 -0.000) 36.843 3.743 (-103.829 23.377 0.000) 106.428 6.179 ( -1.152 -21.703 -0.000) 21.734 6.701 ( -1.653 26.225 0.000) 26.277 7.081 ( 9.564 -2.156 -0.000) 9.804 7.521 ( 3.237 81.337 0.000) 81.402 7.809 ( 1.802 1.459 0.000) 2.319 8.164 ( 8.321 4.065 0.000) 9.261 8.711 ( -0.974 -29.867 -0.000) 29.882 9.830 ( -12.600 -9.520 -0.000) 15.792 10.586 ( 1.013 -10.901 -0.000) 10.948 11.318 ( -5.438 17.619 0.000) 18.439 11.352 ( 29.586 20.775 0.000) 36.152 11.930 ( -14.547 -30.317 -0.000) 33.626 12.164 ( -9.372 -18.588 -0.000) 20.817 12.544 ( -2.730 3.775 0.000) 4.659 12.640 ( 22.942 -7.792 -0.000) 24.229 12.799 ( -20.473 14.091 0.000) 24.854 13.374 ( 6.327 -21.366 -0.000) 22.283 13.566 ( -19.870 25.973 0.000) 32.702 13.704 ( -15.883 -10.345 -0.000) 18.955 15.036 ( 6.108 5.415 0.000) 8.163 15.109 ( 8.037 -4.831 -0.000) 9.377 15.404 ( 28.296 -22.375 -0.000) 36.074 16.051 ( -9.376 -41.560 -0.000) 42.604 16.674 ( -3.324 7.852 0.000) 8.527 16.910 ( -1.590 5.523 0.000) 5.747 16.956 ( 8.252 23.278 0.000) 24.697 17.370 ( -11.708 11.708 0.000) 16.557 17.438 ( 2.455 -19.756 -0.000) 19.908 17.524 ( -29.632 -0.887 0.000) 29.646 17.727 ( -7.622 8.843 0.000) 11.674 17.977 ( -0.629 16.392 0.000) 16.404 18.254 ( -4.509 5.479 0.000) 7.095 18.290 ( 5.485 2.451 0.000) 6.008 18.480 ( 1.808 1.111 0.000) 2.122 18.581 ( 3.367 3.389 0.000) 4.777 18.650 ( 4.419 10.425 0.000) 11.322 18.971 ( -11.237 14.786 0.000) 18.572 19.398 ( 11.337 3.119 0.000) 11.758 19.602 ( -0.236 -53.564 -0.000) 53.565 20.180 ( 5.582 -13.372 -0.000) 14.490 20.275 ( 15.802 -2.788 -0.000) 16.046 20.470 ( 25.850 0.780 -0.000) 25.862 20.552 ( 12.026 -2.015 -0.000) 12.194 20.978 ( -11.857 -11.888 -0.000) 16.790 20.987 ( 4.662 -11.959 -0.000) 12.836 21.042 ( 1.529 16.901 0.000) 16.970 21.417 ( -4.947 14.875 0.000) 15.676 21.568 ( -9.706 2.176 0.000) 9.947 21.708 ( -1.087 -0.090 -0.000) 1.091 22.103 ( 0.321 1.631 0.000) 1.663 22.324 ( 3.341 -1.850 -0.000) 3.819 22.630 ( 8.420 2.887 0.000) 8.901 22.770 ( -10.842 -1.302 -0.000) 10.920 22.775 ( 3.690 -0.433 -0.000) 3.715 23.033 ( -11.104 1.904 0.000) 11.266 23.101 ( 9.855 6.703 0.000) 11.918 23.143 ( -3.322 0.917 0.000) 3.447 23.581 ( -1.222 -2.454 -0.000) 2.741 23.694 ( -17.831 13.262 0.000) 22.222 23.735 ( 5.095 -8.961 -0.000) 10.308 23.861 ( 2.010 -0.938 -0.000) 2.218 24.669 ( 12.131 -3.727 -0.000) 12.691 24.778 ( 4.352 -11.573 -0.000) 12.365 25.000 ( 16.247 9.077 0.000) 18.611 25.179 ( 19.187 -2.394 -0.000) 19.336 25.340 ( -2.539 5.910 0.000) 6.432 25.356 ( 4.545 -12.395 -0.000) 13.202 25.903 ( -8.518 -5.993 -0.000) 10.415 26.076 ( -7.975 0.073 0.000) 7.976 26.470 ( 0.216 2.449 0.000) 2.459 26.582 ( -3.385 0.668 0.000) 3.450 28.202 ( -4.074 4.044 0.000) 5.740 28.518 ( -4.429 -1.401 -0.000) 4.645 28.597 ( -4.625 10.612 0.000) 11.576 28.698 ( 0.303 -2.217 -0.000) 2.237 29.449 ( 0.058 -1.608 -0.000) 1.609 29.624 ( 2.313 -0.647 -0.000) 2.402 29.650 ( -0.880 -12.524 -0.000) 12.555 29.754 ( 1.293 -0.120 -0.000) 1.298 30.255 ( 4.737 16.607 0.000) 17.270 30.415 ( 0.152 9.118 0.000) 9.119 30.640 ( 6.284 -6.256 -0.000) 8.867 30.668 ( 4.596 -2.062 -0.000) 5.037 31.185 ( 3.616 0.344 0.000) 3.632 31.450 ( 3.503 3.138 0.000) 4.702 31.478 ( -9.944 6.166 0.000) 11.700 31.694 ( -5.642 -9.685 -0.000) 11.209 32.319 ( -10.171 -6.476 -0.000) 12.058 33.050 ( -1.092 3.237 0.000) 3.416 34.590 ( -1.239 4.749 0.000) 4.908 34.689 ( 1.579 -5.598 -0.000) 5.817 49.659 ( -0.123 0.430 0.000) 0.447 50.891 ( 14.450 2.683 0.000) 14.697 ======================= Grid point 139 (88/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.000 -0.000 0.997) 0.997 3.123 ( -0.000 0.000 -53.545) 53.545 5.690 ( -0.000 0.000 -80.406) 80.406 6.476 ( 0.000 -0.000 8.180) 8.180 6.601 ( 0.000 -0.000 74.671) 74.671 6.672 ( -0.000 0.000 -7.165) 7.165 7.676 ( -0.000 0.000 -0.214) 0.214 7.830 ( 0.000 -0.000 2.529) 2.529 7.875 ( -0.000 0.000 -2.839) 2.839 8.310 ( -0.000 0.000 -80.224) 80.224 9.764 ( 0.000 -0.000 84.115) 84.115 10.318 ( -0.000 0.000 -23.661) 23.661 10.759 ( -0.000 0.000 -5.355) 5.355 11.796 ( -0.000 0.000 -20.883) 20.883 11.806 ( 0.000 -0.000 9.290) 9.290 11.865 ( -0.000 0.000 -1.512) 1.512 12.869 ( -0.000 0.000 -4.815) 4.815 13.204 ( 0.000 -0.000 43.015) 43.015 13.314 ( -0.000 0.000 -30.288) 30.288 13.394 ( 0.000 -0.000 9.014) 9.014 13.521 ( 0.000 -0.000 8.889) 8.889 13.638 ( 0.000 -0.000 13.954) 13.954 13.651 ( -0.000 0.000 -14.137) 14.137 14.494 ( 0.000 -0.000 20.359) 20.359 15.054 ( -0.000 0.000 -19.602) 19.602 15.081 ( 0.000 -0.000 30.500) 30.500 16.447 ( 0.000 -0.000 1.180) 1.180 16.765 ( 0.000 -0.000 2.352) 2.352 17.045 ( -0.000 0.000 -9.578) 9.578 17.109 ( -0.000 0.000 -20.502) 20.502 17.218 ( 0.000 -0.000 5.967) 5.967 17.574 ( 0.000 -0.000 0.718) 0.718 17.839 ( -0.000 0.000 -10.433) 10.433 17.974 ( 0.000 -0.000 7.082) 7.082 18.217 ( -0.000 0.000 -3.177) 3.177 18.332 ( 0.000 -0.000 4.248) 4.248 18.407 ( -0.000 0.000 -19.134) 19.134 19.001 ( -0.000 0.000 -2.310) 2.310 19.029 ( -0.000 0.000 -9.584) 9.584 19.206 ( 0.000 -0.000 25.254) 25.254 19.487 ( -0.000 0.000 -15.967) 15.967 19.822 ( -0.000 0.000 -7.015) 7.015 19.847 ( 0.000 -0.000 8.146) 8.146 19.959 ( 0.000 -0.000 18.050) 18.050 20.534 ( 0.000 -0.000 14.503) 14.503 21.052 ( -0.000 0.000 -13.964) 13.964 21.159 ( -0.000 0.000 -5.231) 5.231 21.344 ( 0.000 -0.000 8.170) 8.170 21.721 ( 0.000 -0.000 13.223) 13.223 22.043 ( 0.000 -0.000 2.930) 2.930 22.088 ( 0.000 -0.000 7.605) 7.605 22.119 ( -0.000 0.000 -2.711) 2.711 22.224 ( -0.000 0.000 -7.370) 7.370 22.377 ( 0.000 -0.000 2.091) 2.091 22.388 ( -0.000 0.000 -10.624) 10.624 22.395 ( -0.000 0.000 -6.738) 6.738 22.724 ( 0.000 -0.000 15.429) 15.429 23.021 ( -0.000 0.000 -6.738) 6.738 23.148 ( -0.000 0.000 -10.146) 10.146 23.429 ( 0.000 -0.000 5.158) 5.158 23.655 ( 0.000 -0.000 3.612) 3.612 23.773 ( -0.000 0.000 -19.096) 19.096 23.928 ( 0.000 -0.000 4.028) 4.028 24.045 ( 0.000 -0.000 0.864) 0.864 24.073 ( 0.000 -0.000 22.872) 22.872 24.243 ( -0.000 0.000 -16.606) 16.606 24.311 ( 0.000 -0.000 12.560) 12.560 24.901 ( -0.000 0.000 -3.037) 3.037 25.126 ( 0.000 -0.000 0.793) 0.793 25.705 ( 0.000 -0.000 5.145) 5.145 25.782 ( 0.000 -0.000 3.541) 3.541 25.955 ( -0.000 0.000 -3.983) 3.983 26.774 ( 0.000 -0.000 6.694) 6.694 26.993 ( -0.000 0.000 -4.837) 4.837 28.091 ( -0.000 0.000 -3.305) 3.305 28.344 ( 0.000 -0.000 4.718) 4.718 28.574 ( -0.000 0.000 -7.199) 7.199 28.763 ( -0.000 0.000 -4.222) 4.222 29.369 ( 0.000 -0.000 6.492) 6.492 29.589 ( 0.000 -0.000 0.422) 0.422 29.724 ( -0.000 0.000 -0.501) 0.501 29.884 ( 0.000 -0.000 5.857) 5.857 29.999 ( -0.000 0.000 -12.097) 12.097 30.267 ( -0.000 0.000 -5.303) 5.303 30.815 ( 0.000 -0.000 5.216) 5.216 30.955 ( 0.000 -0.000 0.273) 0.273 31.202 ( -0.000 0.000 -4.902) 4.902 31.203 ( 0.000 -0.000 3.263) 3.263 31.658 ( -0.000 0.000 -1.280) 1.280 31.797 ( 0.000 -0.000 6.090) 6.090 32.512 ( 0.000 -0.000 9.539) 9.539 32.758 ( -0.000 0.000 -8.897) 8.897 34.419 ( -0.000 0.000 -1.880) 1.880 34.825 ( 0.000 -0.000 2.498) 2.498 49.599 ( -0.000 0.000 -1.130) 1.130 50.364 ( -0.000 0.000 -14.785) 14.785 ======================= Grid point 141 (89/105) ======================= q-point: (-0.25 0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( -41.622 -0.000 1.596) 41.653 5.199 ( 3.024 0.000 -11.686) 12.071 5.860 ( -57.742 -0.000 16.809) 60.138 6.413 ( 24.354 0.000 -0.694) 24.364 6.975 ( -4.100 -0.000 -1.455) 4.351 7.443 ( 6.836 0.000 -9.176) 11.442 7.713 ( 7.394 0.000 -0.023) 7.394 8.311 ( -22.389 -0.000 0.150) 22.389 9.038 ( 11.644 0.000 -16.764) 20.411 9.170 ( -54.338 -0.000 45.054) 70.587 10.141 ( 0.328 0.000 -16.614) 16.617 10.215 ( 20.310 0.000 -4.712) 20.849 10.362 ( 13.588 0.000 7.430) 15.486 11.137 ( 2.839 0.000 -11.164) 11.519 11.729 ( 5.069 0.000 -4.313) 6.656 11.967 ( -24.753 -0.000 19.927) 31.777 12.493 ( -8.233 -0.000 -3.486) 8.941 12.850 ( -13.742 0.000 -23.321) 27.069 12.906 ( 3.787 -0.000 13.101) 13.638 13.736 ( 6.610 0.000 -3.364) 7.417 14.216 ( -14.566 -0.000 7.336) 16.309 14.369 ( 2.705 -0.000 16.845) 17.061 14.734 ( -26.430 -0.000 6.110) 27.128 15.103 ( 10.965 0.000 -5.748) 12.380 15.661 ( -35.730 -0.000 3.926) 35.945 16.195 ( -35.898 -0.000 -12.368) 37.969 16.602 ( -1.201 0.000 -11.592) 11.654 16.758 ( 10.484 0.000 -2.014) 10.676 16.892 ( 21.214 0.000 -8.239) 22.758 17.198 ( 2.704 -0.000 9.248) 9.635 17.540 ( 2.650 0.000 -5.881) 6.451 17.590 ( 17.284 0.000 -16.106) 23.625 17.881 ( -0.269 0.000 -18.161) 18.163 17.929 ( 7.218 0.000 -6.564) 9.757 18.039 ( 7.028 0.000 -5.161) 8.720 18.174 ( 19.266 0.000 1.546) 19.328 18.534 ( 8.521 0.000 -3.298) 9.137 18.560 ( -22.214 -0.000 -5.947) 22.997 18.834 ( 18.142 0.000 13.879) 22.842 18.870 ( -11.153 -0.000 2.749) 11.487 19.234 ( 4.847 -0.000 19.599) 20.190 19.260 ( -7.609 -0.000 6.755) 10.175 19.641 ( -6.846 -0.000 6.922) 9.736 19.821 ( 13.503 0.000 2.660) 13.762 20.352 ( 4.928 0.000 -11.238) 12.271 20.388 ( -10.815 -0.000 10.718) 15.226 20.504 ( -5.684 -0.000 7.539) 9.441 20.896 ( 19.574 0.000 -5.171) 20.245 21.031 ( -4.026 -0.000 23.381) 23.725 21.745 ( 2.289 0.000 1.690) 2.845 21.863 ( -1.865 -0.000 5.697) 5.994 22.283 ( 8.280 0.000 -3.190) 8.873 22.294 ( -5.691 -0.000 -1.674) 5.932 22.361 ( -3.607 -0.000 -2.434) 4.351 22.528 ( 0.911 0.000 -7.099) 7.158 22.698 ( 9.470 0.000 2.234) 9.730 22.879 ( 2.883 0.000 -2.095) 3.564 22.910 ( -3.841 -0.000 -3.922) 5.490 22.984 ( 3.685 0.000 -0.779) 3.767 23.177 ( 7.415 0.000 1.081) 7.493 23.499 ( 1.934 0.000 1.060) 2.206 23.733 ( 5.731 0.000 -9.306) 10.929 23.859 ( -2.734 0.000 -5.628) 6.257 23.869 ( -14.178 -0.000 1.663) 14.276 24.089 ( 22.147 0.000 -1.294) 22.185 24.094 ( 5.847 0.000 -3.077) 6.607 24.585 ( 15.037 0.000 11.332) 18.829 24.632 ( -7.078 -0.000 3.266) 7.795 24.806 ( 5.377 0.000 -3.392) 6.358 25.590 ( -0.808 -0.000 1.653) 1.840 26.162 ( -10.169 -0.000 -0.220) 10.171 26.423 ( -2.051 0.000 -5.197) 5.587 26.522 ( -8.488 -0.000 4.148) 9.447 26.809 ( 0.352 -0.000 4.292) 4.307 28.400 ( -2.339 -0.000 -2.376) 3.334 28.529 ( 0.861 0.000 -0.637) 1.071 28.902 ( -8.700 -0.000 -0.790) 8.735 29.043 ( -0.900 -0.000 1.759) 1.975 29.217 ( -1.967 0.000 -6.952) 7.225 29.406 ( 5.778 0.000 -1.482) 5.964 29.634 ( 2.910 0.000 -1.172) 3.137 29.663 ( -5.266 -0.000 9.071) 10.489 30.064 ( 9.942 0.000 1.192) 10.013 30.207 ( 6.501 0.000 -1.455) 6.662 30.390 ( 4.807 0.000 -0.162) 4.810 30.678 ( 6.263 0.000 -1.871) 6.537 31.262 ( 7.245 0.000 -2.064) 7.533 31.362 ( -9.047 -0.000 1.316) 9.142 31.691 ( -4.448 -0.000 -0.692) 4.501 32.128 ( -9.256 -0.000 1.901) 9.449 32.469 ( -6.471 -0.000 1.711) 6.693 33.217 ( -2.674 -0.000 -0.716) 2.768 34.444 ( 2.204 0.000 -0.804) 2.346 34.789 ( -2.284 -0.000 0.371) 2.314 49.688 ( -1.086 -0.000 -0.474) 1.185 50.255 ( 15.929 0.000 -4.066) 16.439 ======================= Grid point 148 (90/105) ======================= q-point: ( 0.54 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -30.900 -1.776 0.805) 30.961 3.538 ( -34.090 7.953 61.556) 70.813 4.835 ( -90.206 12.087 60.954) 109.539 5.456 ( -2.671 -27.883 -20.146) 34.503 6.825 ( -1.176 1.626 -2.731) 3.389 7.094 ( 9.261 8.745 -1.382) 12.812 7.762 ( 2.907 -0.030 -7.754) 8.281 7.927 ( -1.539 -10.043 -4.359) 11.056 8.532 ( 2.025 0.384 8.712) 8.952 8.860 ( -2.692 12.880 -43.150) 45.112 9.383 ( -6.150 48.567 -8.691) 49.720 10.751 ( 2.273 -8.558 17.210) 19.355 11.472 ( -10.445 -16.593 4.360) 20.086 11.549 ( 9.766 -2.694 11.547) 15.361 11.817 ( 29.798 3.991 4.910) 30.463 12.009 ( -8.688 1.538 13.855) 16.426 12.479 ( 21.002 -1.895 -9.835) 23.268 12.604 ( -3.770 1.850 -1.658) 4.515 12.697 ( 5.532 -7.886 -27.856) 29.474 13.261 ( -19.233 22.735 0.589) 29.785 13.559 ( -23.012 -4.820 5.536) 24.154 13.974 ( -23.814 18.325 -4.470) 30.379 14.636 ( 5.721 -21.740 -3.634) 22.772 14.728 ( 2.869 -19.640 -9.030) 21.806 15.223 ( -17.068 -28.434 -14.275) 36.106 15.412 ( 8.673 19.511 -9.678) 23.443 16.668 ( 3.770 -2.435 -6.332) 7.762 16.973 ( -7.631 -3.748 -14.007) 16.386 17.102 ( -0.701 -1.895 -1.168) 2.334 17.116 ( -1.007 3.601 6.442) 7.448 17.502 ( 0.029 8.834 -0.860) 8.876 17.702 ( -8.549 11.805 -0.095) 14.576 17.887 ( 6.520 -3.891 3.037) 8.178 18.051 ( 3.792 4.581 -5.234) 7.922 18.234 ( -3.086 2.775 3.690) 5.554 18.405 ( 2.897 -0.993 -7.750) 8.333 18.582 ( 2.050 -38.061 -3.676) 38.293 18.694 ( -3.554 -7.847 9.141) 12.560 18.863 ( -2.086 9.859 24.317) 26.323 18.977 ( -0.940 15.087 0.193) 15.118 19.234 ( -2.703 12.961 -4.980) 14.145 19.601 ( 9.804 3.612 12.906) 16.605 19.834 ( 15.510 -5.165 -3.951) 16.818 20.162 ( 4.050 -5.780 -8.202) 10.821 20.488 ( 6.697 -12.512 -11.005) 17.959 20.628 ( 11.649 -4.189 16.419) 20.563 20.736 ( 11.450 -1.763 13.911) 18.103 21.010 ( -7.363 0.417 9.317) 11.882 21.095 ( -1.475 -6.673 10.627) 12.635 21.725 ( -1.609 -0.398 11.258) 11.379 21.786 ( -1.138 -1.264 8.003) 8.182 21.955 ( -7.944 16.517 -0.901) 18.350 22.111 ( -7.704 8.313 -1.937) 11.498 22.344 ( 7.693 5.683 -2.376) 9.855 22.573 ( -0.335 -1.060 -5.160) 5.278 22.704 ( 5.969 1.796 -4.147) 7.487 22.810 ( -0.183 -1.015 -0.841) 1.330 23.143 ( -6.499 1.007 8.270) 10.566 23.178 ( -8.115 -1.068 6.187) 10.260 23.244 ( 9.106 4.589 2.223) 10.437 23.413 ( 2.265 -4.550 -6.977) 8.632 23.687 ( 3.821 -2.293 4.611) 6.413 23.755 ( -0.881 2.859 -4.948) 5.782 24.041 ( -13.233 6.663 6.511) 16.184 24.256 ( 11.792 -6.781 -21.901) 25.781 24.503 ( 2.713 -14.448 -3.478) 15.107 24.985 ( 14.761 1.789 -11.262) 18.652 25.151 ( 6.020 -3.959 -4.061) 8.271 25.174 ( 11.022 -0.337 -0.964) 11.069 25.478 ( -2.451 6.289 0.887) 6.808 25.816 ( -7.971 -2.469 0.920) 8.396 26.235 ( -3.244 -0.744 12.657) 13.087 26.283 ( -2.586 0.267 -9.888) 10.224 26.807 ( 0.620 1.085 9.858) 9.937 28.272 ( -3.892 2.690 0.171) 4.734 28.375 ( -4.644 -0.362 -7.519) 8.845 28.715 ( -0.450 3.925 -0.837) 4.038 28.855 ( -2.606 6.503 4.636) 8.400 29.280 ( -0.618 -11.816 -3.018) 12.211 29.569 ( 1.214 -2.919 3.793) 4.938 29.618 ( 0.016 -2.135 4.507) 4.987 29.748 ( 2.066 0.379 -1.152) 2.395 30.358 ( 5.435 3.842 -5.667) 8.742 30.483 ( 3.471 -1.530 -5.326) 6.539 30.613 ( 3.671 4.224 0.232) 5.601 30.759 ( 3.019 8.774 3.125) 9.791 31.150 ( 0.938 -5.898 1.850) 6.252 31.467 ( -0.443 -0.867 -1.074) 1.450 31.532 ( -1.893 -1.939 -1.635) 3.165 31.661 ( -7.768 5.488 4.005) 10.320 32.264 ( -6.345 -4.801 4.802) 9.294 33.062 ( -2.726 1.734 -3.177) 4.531 34.559 ( 0.971 -3.155 -2.859) 4.367 34.694 ( -0.621 2.428 2.195) 3.332 49.659 ( -0.342 -0.286 -0.447) 0.631 50.820 ( 10.310 1.094 -8.764) 13.575 ======================= Grid point 156 (91/105) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.895 ( -36.596 -0.000 0.000) 36.596 4.896 ( 34.342 0.000 -0.000) 34.342 5.925 ( 26.744 0.000 -0.000) 26.744 6.740 ( -36.222 -0.000 0.000) 36.222 7.074 ( -3.500 -0.000 0.000) 3.500 7.221 ( 17.682 0.000 -0.000) 17.682 7.546 ( 9.555 0.000 -0.000) 9.555 8.687 ( 39.598 0.000 -0.000) 39.598 8.781 ( -28.607 -0.000 0.000) 28.607 9.625 ( 20.954 0.000 -0.000) 20.954 9.708 ( -43.620 -0.000 0.000) 43.620 10.319 ( -16.966 -0.000 0.000) 16.966 10.571 ( -1.600 -0.000 0.000) 1.600 11.417 ( -6.039 -0.000 0.000) 6.039 11.523 ( 30.490 0.000 -0.000) 30.490 12.384 ( -30.999 -0.000 0.000) 30.999 12.413 ( 2.373 0.000 -0.000) 2.373 12.422 ( 14.889 0.000 -0.000) 14.889 13.666 ( 3.164 0.000 -0.000) 3.164 13.758 ( 17.908 0.000 -0.000) 17.908 13.783 ( -38.606 -0.000 0.000) 38.606 14.427 ( -14.355 -0.000 0.000) 14.355 15.077 ( -6.603 -0.000 0.000) 6.603 15.340 ( -30.316 -0.000 0.000) 30.316 16.140 ( -15.093 -0.000 0.000) 15.093 16.360 ( 38.846 0.000 -0.000) 38.846 16.497 ( 12.938 0.000 -0.000) 12.938 16.803 ( -2.079 -0.000 0.000) 2.079 16.946 ( 8.352 0.000 -0.000) 8.352 17.074 ( -22.541 -0.000 0.000) 22.541 17.266 ( 18.905 0.000 -0.000) 18.905 17.513 ( 5.591 0.000 -0.000) 5.591 17.517 ( 14.541 0.000 -0.000) 14.541 17.901 ( 6.155 0.000 -0.000) 6.155 18.082 ( 4.055 0.000 -0.000) 4.055 18.100 ( 21.618 0.000 -0.000) 21.618 18.532 ( -17.500 -0.000 0.000) 17.500 18.622 ( 8.077 0.000 -0.000) 8.077 18.861 ( -4.962 -0.000 0.000) 4.962 19.000 ( -17.252 -0.000 0.000) 17.252 19.198 ( -21.130 -0.000 0.000) 21.130 19.444 ( 14.890 0.000 -0.000) 14.890 19.600 ( 0.023 0.000 -0.000) 0.023 19.995 ( -31.427 -0.000 0.000) 31.427 20.121 ( -2.643 -0.000 0.000) 2.643 20.521 ( -3.421 -0.000 0.000) 3.421 20.597 ( -7.085 -0.000 0.000) 7.085 20.638 ( 17.586 0.000 -0.000) 17.586 20.891 ( -6.928 -0.000 0.000) 6.928 21.520 ( 12.153 0.000 -0.000) 12.153 21.861 ( -2.643 -0.000 0.000) 2.643 22.159 ( 7.353 0.000 -0.000) 7.353 22.354 ( 1.462 0.000 -0.000) 1.462 22.402 ( 3.882 0.000 -0.000) 3.882 22.501 ( 6.119 0.000 -0.000) 6.119 22.573 ( 2.727 0.000 -0.000) 2.727 22.837 ( 4.793 0.000 -0.000) 4.793 22.914 ( 2.254 0.000 -0.000) 2.254 22.967 ( 10.149 0.000 -0.000) 10.149 23.074 ( -6.897 -0.000 0.000) 6.897 23.515 ( -4.304 -0.000 0.000) 4.304 23.711 ( 4.929 0.000 -0.000) 4.929 23.760 ( 10.200 0.000 -0.000) 10.200 23.950 ( 5.360 0.000 -0.000) 5.360 23.992 ( -3.773 -0.000 0.000) 3.773 24.182 ( 8.936 0.000 -0.000) 8.936 24.271 ( -18.732 -0.000 0.000) 18.732 24.635 ( 6.758 0.000 -0.000) 6.758 24.805 ( -6.023 -0.000 0.000) 6.023 25.593 ( -1.465 -0.000 0.000) 1.465 26.354 ( -7.601 -0.000 0.000) 7.601 26.477 ( 2.776 0.000 -0.000) 2.776 26.625 ( -5.789 -0.000 0.000) 5.789 26.737 ( 1.926 0.000 -0.000) 1.926 28.420 ( 5.755 0.000 -0.000) 5.755 28.511 ( -3.693 -0.000 0.000) 3.693 29.088 ( -3.860 -0.000 0.000) 3.860 29.091 ( -7.182 -0.000 0.000) 7.182 29.272 ( 7.855 0.000 -0.000) 7.855 29.312 ( -0.524 -0.000 0.000) 0.524 29.608 ( 1.719 0.000 -0.000) 1.719 29.739 ( -9.919 -0.000 0.000) 9.919 29.814 ( 10.793 0.000 -0.000) 10.793 30.091 ( 5.631 0.000 -0.000) 5.631 30.336 ( 1.118 0.000 -0.000) 1.118 30.600 ( 3.697 0.000 -0.000) 3.697 31.144 ( 6.526 0.000 -0.000) 6.526 31.494 ( -4.882 -0.000 0.000) 4.882 31.747 ( -0.523 -0.000 0.000) 0.523 32.264 ( -5.998 -0.000 0.000) 5.998 32.587 ( -6.430 -0.000 0.000) 6.430 33.254 ( -0.532 -0.000 0.000) 0.532 34.408 ( 1.796 0.000 -0.000) 1.796 34.836 ( -2.234 -0.000 0.000) 2.234 49.711 ( -0.866 -0.000 0.000) 0.866 49.992 ( 13.562 0.000 -0.000) 13.562 ======================= Grid point 157 (92/105) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -30.751 -0.000 2.195) 30.829 4.220 ( -9.556 0.000 -33.088) 34.440 5.234 ( -16.204 -0.000 61.684) 63.777 6.288 ( -48.960 -0.000 48.185) 68.694 6.767 ( -1.053 0.000 -4.238) 4.367 7.253 ( 7.662 0.000 -13.465) 15.492 7.511 ( -11.677 0.000 -33.418) 35.400 7.681 ( -10.878 -0.000 12.454) 16.536 8.005 ( -1.123 0.000 -14.781) 14.823 8.779 ( -5.371 -0.000 22.820) 23.444 9.627 ( -4.386 0.000 -25.236) 25.614 10.826 ( -0.256 -0.000 0.626) 0.676 11.223 ( 4.495 0.000 -43.970) 44.199 11.611 ( -1.994 0.000 -14.100) 14.240 11.814 ( 7.498 0.000 2.676) 7.961 12.083 ( 25.387 -0.000 31.789) 40.682 12.296 ( -0.744 0.000 -10.699) 10.725 12.547 ( 3.980 -0.000 18.442) 18.866 12.867 ( 21.573 0.000 9.418) 23.539 13.366 ( -15.331 -0.000 1.795) 15.436 13.696 ( -6.229 0.000 -7.742) 9.937 14.039 ( -27.422 -0.000 -7.264) 28.368 14.254 ( -6.017 0.000 -20.669) 21.527 14.598 ( -5.885 -0.000 18.031) 18.967 14.661 ( -37.497 -0.000 6.583) 38.071 15.406 ( 4.786 0.000 -13.497) 14.321 16.465 ( 3.848 0.000 -7.913) 8.799 16.719 ( 0.307 0.000 -1.827) 1.852 17.149 ( -4.160 -0.000 6.208) 7.473 17.176 ( 3.478 0.000 -5.398) 6.421 17.534 ( 3.684 0.000 -1.985) 4.185 17.539 ( 8.470 0.000 -27.896) 29.153 17.865 ( -2.849 -0.000 5.723) 6.393 18.006 ( 2.582 0.000 -7.354) 7.795 18.112 ( 4.771 -0.000 10.899) 11.898 18.249 ( 5.038 0.000 -4.525) 6.772 18.656 ( -2.705 -0.000 15.837) 16.066 18.738 ( -4.927 -0.000 -0.919) 5.012 19.066 ( 2.345 0.000 -5.703) 6.167 19.188 ( 0.211 0.000 -0.989) 1.011 19.556 ( -4.606 -0.000 20.895) 21.396 19.708 ( 9.245 0.000 0.069) 9.245 19.888 ( -9.509 -0.000 -7.962) 12.402 20.045 ( -0.388 0.000 -11.950) 11.956 20.049 ( 13.142 -0.000 18.097) 22.365 20.910 ( 17.528 0.000 9.938) 20.149 20.970 ( 11.662 0.000 9.678) 15.155 21.202 ( -1.616 -0.000 0.547) 1.706 21.426 ( -4.728 -0.000 24.402) 24.856 21.909 ( 5.203 -0.000 6.427) 8.269 21.986 ( 1.081 -0.000 9.967) 10.026 22.049 ( -10.278 -0.000 3.622) 10.898 22.251 ( 5.534 0.000 2.685) 6.151 22.390 ( 0.425 0.000 -4.208) 4.229 22.424 ( -1.574 0.000 -3.075) 3.455 22.567 ( 3.895 0.000 -10.298) 11.010 22.708 ( -2.942 0.000 -6.340) 6.989 23.162 ( 1.893 0.000 -7.365) 7.604 23.340 ( -1.533 -0.000 5.761) 5.961 23.350 ( -7.644 -0.000 0.202) 7.646 23.423 ( 10.569 0.000 8.817) 13.764 23.705 ( 7.835 0.000 0.376) 7.844 23.730 ( 6.302 0.000 0.522) 6.324 23.844 ( 3.142 0.000 -0.456) 3.175 24.179 ( -0.472 0.000 -10.918) 10.928 24.286 ( -13.859 -0.000 8.660) 16.342 24.651 ( 9.464 0.000 -20.511) 22.589 25.011 ( 5.624 0.000 -7.005) 8.983 25.107 ( 3.939 0.000 -2.906) 4.895 25.572 ( 0.545 -0.000 2.096) 2.165 25.845 ( -8.003 -0.000 2.988) 8.543 26.106 ( -4.184 0.000 -6.377) 7.628 26.529 ( 0.918 -0.000 14.025) 14.055 26.952 ( 3.725 0.000 2.466) 4.467 28.246 ( -5.425 -0.000 -4.317) 6.933 28.306 ( -3.059 -0.000 0.996) 3.217 28.711 ( -0.552 0.000 -4.744) 4.776 28.907 ( -3.759 0.000 -6.044) 7.118 29.186 ( 1.098 -0.000 8.637) 8.706 29.552 ( 3.679 0.000 -1.209) 3.872 29.724 ( 2.011 0.000 -1.214) 2.349 29.769 ( -2.660 -0.000 9.102) 9.482 30.229 ( 2.000 0.000 -9.679) 9.883 30.353 ( 3.350 0.000 -5.663) 6.580 30.661 ( 6.238 0.000 2.108) 6.585 30.908 ( 5.633 0.000 -1.436) 5.813 31.125 ( -2.872 -0.000 4.218) 5.103 31.391 ( -7.625 -0.000 -2.551) 8.040 31.529 ( 8.057 0.000 0.162) 8.059 31.810 ( -8.574 -0.000 4.275) 9.581 32.351 ( -3.426 -0.000 8.028) 8.728 32.986 ( -5.319 -0.000 -5.466) 7.627 34.464 ( 0.713 0.000 -2.854) 2.942 34.772 ( -0.278 -0.000 2.617) 2.631 49.632 ( -0.552 0.000 -1.351) 1.460 50.595 ( 7.700 0.000 -13.200) 15.282 ======================= Grid point 162 (93/105) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( -41.617 -4.260 -0.000) 41.834 4.186 ( -76.445 5.590 0.000) 76.649 5.700 ( -0.006 -26.041 -0.000) 26.041 6.252 (-105.664 17.240 0.000) 107.062 6.816 ( 17.916 1.630 0.000) 17.990 6.913 ( -5.255 1.146 0.000) 5.379 7.793 ( 3.905 2.374 0.000) 4.570 7.885 ( 15.039 5.631 0.000) 16.059 8.432 ( -6.407 -9.928 -0.000) 11.816 9.003 ( 6.307 54.358 0.000) 54.723 9.988 ( -8.797 3.263 0.000) 9.383 10.484 ( -0.848 0.884 0.000) 1.225 10.946 ( 28.356 -0.592 -0.000) 28.363 11.394 ( 15.409 -1.984 -0.000) 15.536 11.664 ( -7.549 -21.330 -0.000) 22.626 11.917 ( -9.836 -19.240 -0.000) 21.608 12.446 ( -2.589 13.695 0.000) 13.938 12.819 ( -14.491 2.480 0.000) 14.702 12.885 ( 10.585 -9.511 -0.000) 14.230 13.586 ( -10.604 21.097 0.000) 23.612 13.878 ( -19.361 -10.069 -0.000) 21.823 14.439 ( 0.730 -22.778 -0.000) 22.789 14.591 ( -10.118 14.366 0.000) 17.572 14.688 ( -10.955 -8.353 -0.000) 13.776 15.222 ( 16.217 20.436 0.000) 26.089 15.797 ( -24.094 -17.442 -0.000) 29.745 16.762 ( -2.094 -2.181 -0.000) 3.024 17.048 ( 1.109 -16.109 -0.000) 16.147 17.097 ( -0.520 6.851 0.000) 6.871 17.125 ( 9.961 12.616 0.000) 16.075 17.714 ( -0.746 -7.733 -0.000) 7.769 17.811 ( -12.862 9.015 0.000) 15.706 18.072 ( 6.587 6.927 0.000) 9.559 18.172 ( -1.728 16.802 0.000) 16.890 18.346 ( -1.001 -8.373 -0.000) 8.433 18.436 ( -6.373 2.219 0.000) 6.748 18.554 ( -15.875 -4.932 -0.000) 16.623 18.639 ( -11.059 -0.845 -0.000) 11.091 18.674 ( 9.940 -24.537 -0.000) 26.474 18.688 ( 4.605 3.573 0.000) 5.829 19.019 ( 31.529 0.085 -0.000) 31.529 19.384 ( -3.892 11.905 0.000) 12.525 19.574 ( 23.186 -15.972 -0.000) 28.155 20.025 ( 9.352 3.784 0.000) 10.088 20.052 ( 3.187 -3.909 -0.000) 5.044 20.431 ( 8.647 7.115 0.000) 11.198 20.544 ( 3.148 -16.751 -0.000) 17.044 20.956 ( 1.018 -10.437 -0.000) 10.486 21.084 ( -2.443 -2.425 -0.000) 3.443 21.746 ( -6.160 3.660 0.000) 7.165 21.748 ( -2.536 -0.007 0.000) 2.536 22.106 ( -5.152 17.478 0.000) 18.221 22.266 ( 2.370 16.430 0.000) 16.600 22.302 ( -7.186 4.930 0.000) 8.714 22.502 ( 9.865 2.085 0.000) 10.083 22.678 ( 2.955 -1.521 -0.000) 3.323 22.889 ( -6.561 -3.638 -0.000) 7.502 23.002 ( 7.750 1.685 0.000) 7.931 23.169 ( 1.714 2.965 0.000) 3.425 23.279 ( 3.039 -2.038 -0.000) 3.659 23.474 ( -9.829 -5.028 -0.000) 11.041 23.558 ( -0.360 -2.405 -0.000) 2.432 23.878 ( -1.323 0.790 0.000) 1.541 24.242 ( -15.077 9.024 0.000) 17.572 24.324 ( 11.171 -17.832 -0.000) 21.043 24.358 ( 11.743 -3.211 -0.000) 12.174 24.649 ( 27.375 2.131 0.000) 27.457 24.779 ( 19.417 0.349 -0.000) 19.420 25.061 ( 7.738 -6.187 -0.000) 9.907 25.490 ( -0.814 5.734 0.000) 5.791 25.995 ( -10.374 -3.722 -0.000) 11.022 26.275 ( -10.598 0.368 0.000) 10.605 26.502 ( -0.424 0.772 0.000) 0.881 26.668 ( -4.028 0.213 0.000) 4.033 28.352 ( -3.561 2.559 0.000) 4.385 28.620 ( 2.962 -1.645 -0.000) 3.388 28.658 ( -10.271 1.029 0.000) 10.322 28.892 ( -4.181 9.111 0.000) 10.025 29.390 ( 1.591 -2.416 -0.000) 2.893 29.469 ( -5.162 -11.710 -0.000) 12.797 29.551 ( 4.037 -0.357 -0.000) 4.053 29.711 ( 2.716 -0.183 -0.000) 2.723 30.237 ( 10.912 4.170 0.000) 11.682 30.403 ( 8.114 -2.728 -0.000) 8.561 30.518 ( 6.525 -1.448 -0.000) 6.684 30.699 ( 1.336 11.677 0.000) 11.753 31.162 ( -4.909 -0.702 -0.000) 4.959 31.410 ( 5.631 1.818 0.000) 5.917 31.654 ( -5.638 -6.288 -0.000) 8.445 31.814 ( -11.062 6.772 0.000) 12.970 32.380 ( -9.304 -7.489 -0.000) 11.943 33.144 ( -2.691 2.576 0.000) 3.725 34.551 ( 2.714 -4.132 -0.000) 4.944 34.702 ( -2.469 3.067 0.000) 3.938 49.675 ( -0.733 0.288 0.000) 0.787 50.625 ( 17.240 2.050 0.000) 17.361 ======================= Grid point 169 (94/105) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.000 23.978 0.000) 23.978 2.157 ( -0.000 15.272 0.000) 15.272 2.554 ( -0.000 18.479 0.000) 18.479 6.168 ( 0.000 -21.460 -0.000) 21.460 6.690 ( -0.000 24.963 0.000) 24.963 7.177 ( 0.000 -1.784 -0.000) 1.784 7.563 ( -0.000 90.851 0.000) 90.851 7.824 ( -0.000 0.714 0.000) 0.714 8.256 ( 0.000 -0.375 -0.000) 0.375 8.705 ( 0.000 -32.009 -0.000) 32.009 9.679 ( 0.000 -10.180 -0.000) 10.180 10.590 ( 0.000 -13.492 -0.000) 13.492 11.255 ( -0.000 19.985 0.000) 19.985 11.751 ( 0.000 -32.521 -0.000) 32.521 11.843 ( -0.000 44.752 0.000) 44.752 11.960 ( 0.000 -13.540 -0.000) 13.540 12.515 ( -0.000 1.894 0.000) 1.894 12.528 ( 0.000 -8.058 -0.000) 8.058 12.991 ( 0.000 -2.768 -0.000) 2.768 13.345 ( -0.000 28.402 0.000) 28.402 13.453 ( 0.000 -25.495 -0.000) 25.495 13.459 ( 0.000 -20.404 -0.000) 20.404 15.101 ( -0.000 8.765 0.000) 8.765 15.192 ( 0.000 -3.424 -0.000) 3.424 15.786 ( 0.000 -34.621 -0.000) 34.621 15.953 ( 0.000 -44.712 -0.000) 44.712 16.614 ( -0.000 16.920 0.000) 16.920 16.989 ( -0.000 1.827 0.000) 1.827 16.993 ( -0.000 1.490 0.000) 1.490 17.055 ( -0.000 26.467 0.000) 26.467 17.301 ( -0.000 16.468 0.000) 16.468 17.463 ( 0.000 -23.284 -0.000) 23.284 17.632 ( -0.000 4.011 0.000) 4.011 17.964 ( -0.000 20.966 0.000) 20.966 18.214 ( -0.000 7.533 0.000) 7.533 18.381 ( 0.000 -22.306 -0.000) 22.306 18.507 ( -0.000 25.755 0.000) 25.755 18.631 ( 0.000 -5.587 -0.000) 5.587 18.698 ( -0.000 10.640 0.000) 10.640 18.817 ( -0.000 25.026 0.000) 25.026 19.495 ( -0.000 2.364 0.000) 2.364 19.597 ( 0.000 -52.329 -0.000) 52.329 20.238 ( 0.000 -10.172 -0.000) 10.172 20.532 ( -0.000 3.825 0.000) 3.825 20.616 ( -0.000 4.298 0.000) 4.298 20.756 ( 0.000 -16.121 -0.000) 16.121 20.950 ( 0.000 -3.407 -0.000) 3.407 20.983 ( -0.000 2.151 0.000) 2.151 21.041 ( 0.000 -16.818 -0.000) 16.818 21.306 ( -0.000 29.608 0.000) 29.608 21.479 ( 0.000 -0.976 -0.000) 0.976 21.697 ( 0.000 -0.660 -0.000) 0.660 22.068 ( 0.000 -9.944 -0.000) 9.944 22.459 ( -0.000 1.034 0.000) 1.034 22.583 ( -0.000 2.563 0.000) 2.563 22.771 ( 0.000 -0.743 -0.000) 0.743 22.804 ( -0.000 3.561 0.000) 3.561 22.867 ( -0.000 1.791 0.000) 1.791 23.111 ( 0.000 -0.282 -0.000) 0.282 23.314 ( -0.000 4.331 0.000) 4.331 23.395 ( -0.000 17.843 0.000) 17.843 23.567 ( 0.000 -2.544 -0.000) 2.544 23.771 ( 0.000 -4.029 -0.000) 4.029 23.896 ( 0.000 -5.636 -0.000) 5.636 24.818 ( 0.000 -10.838 -0.000) 10.838 24.820 ( 0.000 -5.263 -0.000) 5.263 25.181 ( -0.000 16.762 0.000) 16.762 25.279 ( -0.000 0.727 0.000) 0.727 25.385 ( 0.000 -10.000 -0.000) 10.000 25.430 ( 0.000 -6.369 -0.000) 6.369 25.785 ( 0.000 -6.225 -0.000) 6.225 25.992 ( 0.000 -0.270 -0.000) 0.270 26.477 ( -0.000 2.985 0.000) 2.985 26.546 ( -0.000 0.823 0.000) 0.823 28.155 ( -0.000 3.408 0.000) 3.408 28.476 ( 0.000 -1.428 -0.000) 1.428 28.545 ( -0.000 11.725 0.000) 11.725 28.704 ( 0.000 -1.894 -0.000) 1.894 29.448 ( 0.000 -0.987 -0.000) 0.987 29.640 ( 0.000 -13.980 -0.000) 13.980 29.647 ( 0.000 -0.780 -0.000) 0.780 29.770 ( -0.000 0.757 0.000) 0.757 30.292 ( -0.000 19.863 0.000) 19.863 30.427 ( -0.000 5.766 0.000) 5.766 30.710 ( 0.000 -7.401 -0.000) 7.401 30.717 ( 0.000 -1.297 -0.000) 1.297 31.263 ( 0.000 -3.368 -0.000) 3.368 31.334 ( -0.000 9.268 0.000) 9.268 31.499 ( -0.000 4.630 0.000) 4.630 31.620 ( 0.000 -10.787 -0.000) 10.787 32.206 ( 0.000 -3.751 -0.000) 3.751 33.038 ( -0.000 2.677 0.000) 2.677 34.577 ( -0.000 4.521 0.000) 4.521 34.705 ( 0.000 -5.420 -0.000) 5.420 49.658 ( -0.000 0.269 0.000) 0.269 51.047 ( 0.000 -0.703 -0.000) 0.703 ======================= Grid point 174 (95/105) ======================= q-point: (-0.31 0.47 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -41.255 -0.000 1.350) 41.277 4.570 ( -58.833 -0.000 28.711) 65.465 5.258 ( -5.678 0.000 -13.779) 14.903 6.815 ( 11.392 0.000 -1.607) 11.505 6.826 ( -86.286 -0.000 28.516) 90.876 6.940 ( 5.509 0.000 1.310) 5.662 7.802 ( -6.295 -0.000 -1.259) 6.420 7.819 ( 3.015 0.000 0.039) 3.016 8.546 ( -7.844 -0.000 15.124) 17.037 9.114 ( -5.033 0.000 -38.271) 38.600 9.912 ( -5.441 0.000 -8.300) 9.925 10.667 ( 4.194 -0.000 8.493) 9.472 10.929 ( 45.429 0.000 2.322) 45.489 11.382 ( 12.581 0.000 -5.959) 13.920 11.587 ( -12.459 -0.000 22.073) 25.347 11.800 ( 8.669 0.000 3.569) 9.375 12.404 ( 1.511 0.000 -22.575) 22.625 12.708 ( -3.620 0.000 -8.350) 9.101 12.796 ( -15.720 -0.000 1.223) 15.768 13.685 ( -12.812 -0.000 -3.939) 13.404 13.936 ( -9.534 -0.000 2.683) 9.904 14.413 ( -5.772 -0.000 14.882) 15.962 14.443 ( 2.250 0.000 2.181) 3.134 14.828 ( -40.222 -0.000 -1.796) 40.262 15.403 ( 12.643 0.000 -4.781) 13.517 15.487 ( -33.348 -0.000 -10.957) 35.102 16.586 ( 0.208 0.000 -9.315) 9.317 16.885 ( 2.470 0.000 -2.440) 3.472 17.161 ( 5.383 0.000 -2.669) 6.008 17.218 ( -1.888 0.000 -5.990) 6.280 17.550 ( -1.061 0.000 -4.026) 4.163 17.782 ( -0.574 0.000 -8.294) 8.313 17.873 ( 12.457 0.000 -21.705) 25.026 18.060 ( 5.269 0.000 -6.084) 8.049 18.116 ( -16.814 -0.000 -3.742) 17.226 18.208 ( 10.305 0.000 -7.537) 12.767 18.554 ( -11.086 -0.000 10.959) 15.589 18.655 ( 2.005 -0.000 4.795) 5.198 18.899 ( 18.663 0.000 4.708) 19.248 19.062 ( 7.112 -0.000 11.272) 13.328 19.248 ( 10.490 -0.000 23.277) 25.532 19.422 ( 14.506 0.000 4.177) 15.096 19.494 ( -5.137 -0.000 2.583) 5.750 20.113 ( 14.329 0.000 -3.119) 14.665 20.194 ( -7.903 -0.000 1.374) 8.021 20.436 ( 0.182 -0.000 15.576) 15.577 20.518 ( 11.383 0.000 0.556) 11.397 20.983 ( -0.922 -0.000 18.714) 18.737 21.132 ( 2.726 -0.000 4.553) 5.307 21.756 ( -1.277 -0.000 1.955) 2.335 21.823 ( -2.561 -0.000 4.614) 5.277 22.207 ( -0.878 0.000 -1.128) 1.429 22.234 ( -9.364 -0.000 -0.847) 9.402 22.456 ( 8.452 0.000 -5.189) 9.918 22.536 ( -0.158 0.000 -8.134) 8.136 22.704 ( -4.441 -0.000 -1.733) 4.767 22.830 ( -3.975 -0.000 0.890) 4.074 23.034 ( 12.622 0.000 2.495) 12.866 23.188 ( 11.867 0.000 -6.121) 13.353 23.248 ( 0.236 -0.000 3.625) 3.633 23.461 ( -13.014 -0.000 5.300) 14.052 23.595 ( -1.705 -0.000 4.181) 4.515 23.805 ( -2.105 0.000 -6.157) 6.507 23.918 ( 10.523 0.000 -15.422) 18.670 24.239 ( 7.378 0.000 -4.322) 8.551 24.391 ( -9.138 -0.000 3.617) 9.828 24.623 ( 21.204 0.000 -4.314) 21.639 24.908 ( 16.105 0.000 6.426) 17.339 24.952 ( 8.757 0.000 -4.777) 9.975 25.572 ( -1.163 -0.000 1.817) 2.158 25.958 ( -9.867 -0.000 0.717) 9.893 26.352 ( -8.226 -0.000 6.933) 10.758 26.357 ( -4.100 0.000 -8.379) 9.328 26.809 ( -0.019 -0.000 7.044) 7.044 28.351 ( -2.372 -0.000 -2.019) 3.115 28.495 ( -5.258 -0.000 -5.045) 7.287 28.768 ( -3.755 -0.000 2.801) 4.685 29.036 ( 0.043 -0.000 3.267) 3.267 29.147 ( -4.810 0.000 -8.325) 9.614 29.503 ( 3.549 0.000 -0.057) 3.549 29.597 ( -1.267 -0.000 9.592) 9.675 29.696 ( 3.236 0.000 -1.189) 3.448 30.252 ( 8.744 0.000 -2.383) 9.063 30.344 ( 6.914 0.000 -2.859) 7.482 30.507 ( 6.787 0.000 0.265) 6.792 30.810 ( 6.833 0.000 -1.322) 6.960 31.173 ( -9.348 -0.000 2.529) 9.684 31.408 ( 7.221 0.000 -2.087) 7.517 31.577 ( -6.874 -0.000 -1.157) 6.971 31.925 ( -10.970 -0.000 2.941) 11.358 32.335 ( -6.898 -0.000 3.409) 7.694 33.151 ( -3.860 -0.000 -1.675) 4.208 34.490 ( 2.264 0.000 -1.853) 2.926 34.747 ( -1.909 -0.000 1.356) 2.342 49.669 ( -0.837 -0.000 -0.752) 1.125 50.572 ( 15.498 0.000 -6.470) 16.794 ======================= Grid point 181 (96/105) ======================= q-point: ( 0.48 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 -0.266 1.076) 1.109 3.447 ( 0.000 5.298 101.734) 101.872 3.575 ( 0.000 17.323 52.927) 55.689 5.429 ( 0.000 -28.637 -21.829) 36.008 6.813 ( -0.000 1.780 -2.646) 3.189 7.188 ( -0.000 10.804 -2.794) 11.160 7.796 ( -0.000 -0.224 -5.043) 5.048 7.896 ( 0.000 -14.096 -9.512) 17.005 8.563 ( 0.000 0.498 8.765) 8.779 8.806 ( -0.000 -4.542 -51.630) 51.830 9.364 ( -0.000 73.674 -5.682) 73.892 10.770 ( 0.000 -12.344 19.447) 23.033 11.353 ( 0.000 -16.660 10.486) 19.685 11.563 ( 0.000 -9.550 15.670) 18.350 11.879 ( 0.000 1.729 10.856) 10.993 12.285 ( -0.000 -1.745 -7.877) 8.068 12.652 ( -0.000 -1.669 -11.981) 12.097 12.787 ( -0.000 50.837 3.612) 50.965 12.813 ( -0.000 -5.218 -19.340) 20.031 12.969 ( 0.000 -0.326 1.432) 1.468 13.147 ( 0.000 -16.293 6.666) 17.604 13.733 ( -0.000 17.178 -5.363) 17.996 14.725 ( 0.000 -25.831 -12.448) 28.674 14.725 ( 0.000 -28.381 -6.876) 29.202 15.056 ( 0.000 -23.824 -21.833) 32.315 15.502 ( -0.000 20.104 -12.689) 23.774 16.772 ( -0.000 0.132 -13.924) 13.925 16.813 ( 0.000 -3.929 -0.648) 3.982 17.078 ( 0.000 -8.449 1.087) 8.519 17.114 ( -0.000 4.859 7.059) 8.570 17.523 ( -0.000 15.817 -3.191) 16.135 17.614 ( -0.000 9.236 3.825) 9.997 17.985 ( 0.000 -6.786 -1.654) 6.985 18.019 ( 0.000 5.563 22.627) 23.301 18.224 ( -0.000 5.657 -4.019) 6.939 18.471 ( -0.000 -3.875 -15.072) 15.562 18.608 ( 0.000 -41.801 -3.695) 41.964 18.615 ( 0.000 -7.800 9.858) 12.570 18.860 ( 0.000 7.809 25.192) 26.375 18.943 ( -0.000 23.666 -5.181) 24.226 19.214 ( -0.000 13.754 -5.326) 14.750 19.672 ( 0.000 2.601 11.709) 11.994 20.034 ( 0.000 -1.731 0.488) 1.798 20.206 ( -0.000 -6.470 -17.647) 18.796 20.512 ( 0.000 -13.884 -17.099) 22.025 20.819 ( 0.000 -2.101 12.192) 12.371 20.870 ( 0.000 -1.070 18.724) 18.754 20.893 ( 0.000 -7.589 17.829) 19.377 21.107 ( 0.000 0.391 4.890) 4.906 21.712 ( 0.000 -0.907 16.387) 16.412 21.773 ( 0.000 -1.264 8.542) 8.635 21.826 ( -0.000 2.820 2.450) 3.735 22.035 ( -0.000 19.941 -2.909) 20.152 22.491 ( 0.000 -0.390 1.239) 1.299 22.497 ( -0.000 1.297 -7.043) 7.161 22.810 ( -0.000 1.440 -6.954) 7.101 22.840 ( -0.000 1.137 -3.934) 4.095 22.951 ( 0.000 -2.630 14.582) 14.817 23.129 ( 0.000 -0.357 5.904) 5.914 23.393 ( -0.000 3.188 -1.352) 3.463 23.434 ( -0.000 -1.415 -6.199) 6.359 23.704 ( -0.000 10.627 2.903) 11.017 23.740 ( 0.000 -2.834 4.951) 5.705 23.894 ( 0.000 0.868 2.559) 2.702 24.414 ( -0.000 -4.161 -25.605) 25.940 24.508 ( 0.000 -16.909 -2.672) 17.118 25.148 ( -0.000 1.485 -13.537) 13.618 25.202 ( 0.000 -4.051 -3.820) 5.568 25.282 ( -0.000 -1.397 -7.024) 7.161 25.463 ( -0.000 7.920 3.336) 8.594 25.712 ( 0.000 -2.035 1.230) 2.378 26.209 ( 0.000 -0.936 13.362) 13.394 26.260 ( -0.000 -0.100 -7.784) 7.785 26.817 ( 0.000 1.368 11.199) 11.282 28.220 ( -0.000 2.296 0.377) 2.326 28.334 ( -0.000 0.261 -7.723) 7.727 28.710 ( -0.000 5.056 -1.966) 5.425 28.828 ( -0.000 5.734 5.451) 7.912 29.274 ( 0.000 -12.627 -2.407) 12.855 29.577 ( 0.000 -4.195 9.194) 10.106 29.622 ( 0.000 -0.466 -1.044) 1.143 29.769 ( -0.000 0.483 -1.157) 1.254 30.413 ( -0.000 3.516 -7.052) 7.880 30.512 ( -0.000 1.583 -6.326) 6.521 30.651 ( -0.000 5.193 0.868) 5.265 30.799 ( -0.000 5.891 4.091) 7.172 31.174 ( 0.000 -7.663 1.357) 7.783 31.427 ( 0.000 -6.296 -2.603) 6.813 31.522 ( -0.000 6.648 3.150) 7.357 31.593 ( -0.000 2.583 2.103) 3.331 32.196 ( 0.000 -3.399 5.506) 6.470 33.033 ( -0.000 1.319 -3.979) 4.192 34.568 ( 0.000 -2.593 -3.132) 4.066 34.689 ( -0.000 1.943 2.439) 3.119 49.656 ( 0.000 -0.421 -0.443) 0.611 50.926 ( -0.000 0.383 -9.778) 9.786 ======================= Grid point 189 (97/105) ======================= q-point: (-0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( -41.498 -0.000 0.000) 41.498 5.320 ( 7.662 0.000 -0.000) 7.662 5.692 ( -64.112 -0.000 0.000) 64.112 6.421 ( 23.465 0.000 -0.000) 23.465 6.991 ( -4.250 -0.000 0.000) 4.250 7.560 ( 14.501 0.000 -0.000) 14.501 7.713 ( 7.144 0.000 -0.000) 7.144 8.463 ( -82.378 -0.000 0.000) 82.378 8.493 ( -7.275 -0.000 0.000) 7.275 9.185 ( 17.209 0.000 -0.000) 17.209 10.247 ( 31.755 0.000 -0.000) 31.755 10.298 ( 17.341 0.000 -0.000) 17.341 10.379 ( -15.032 -0.000 0.000) 15.032 11.278 ( -3.222 -0.000 0.000) 3.222 11.726 ( -29.526 -0.000 0.000) 29.526 11.860 ( 2.424 0.000 -0.000) 2.424 12.564 ( 10.731 0.000 -0.000) 10.731 12.612 ( 7.834 0.000 -0.000) 7.834 13.152 ( -24.247 -0.000 0.000) 24.247 13.779 ( 6.474 0.000 -0.000) 6.474 14.129 ( -16.332 -0.000 0.000) 16.332 14.134 ( 18.633 0.000 -0.000) 18.633 14.666 ( -34.868 -0.000 0.000) 34.868 15.169 ( 12.081 0.000 -0.000) 12.081 15.621 ( -35.036 -0.000 0.000) 35.036 16.336 ( -40.509 -0.000 0.000) 40.509 16.756 ( -2.563 -0.000 0.000) 2.563 16.761 ( 10.822 0.000 -0.000) 10.822 16.992 ( 21.722 0.000 -0.000) 21.722 17.072 ( 6.292 0.000 -0.000) 6.292 17.614 ( 3.897 0.000 -0.000) 3.897 17.771 ( 23.467 0.000 -0.000) 23.467 18.020 ( 5.381 0.000 -0.000) 5.381 18.071 ( 38.596 0.000 -0.000) 38.596 18.183 ( 8.946 0.000 -0.000) 8.946 18.202 ( -15.449 -0.000 0.000) 15.449 18.469 ( 13.874 0.000 -0.000) 13.874 18.649 ( -14.586 -0.000 0.000) 14.586 18.725 ( -5.961 -0.000 0.000) 5.961 18.853 ( -15.080 -0.000 0.000) 15.080 18.929 ( 21.527 0.000 -0.000) 21.527 19.270 ( -37.730 -0.000 0.000) 37.730 19.583 ( -4.111 -0.000 0.000) 4.111 19.798 ( 18.264 0.000 -0.000) 18.264 20.054 ( -3.941 -0.000 0.000) 3.941 20.453 ( -7.334 -0.000 0.000) 7.334 20.472 ( 0.206 0.000 -0.000) 0.206 20.809 ( -1.757 -0.000 0.000) 1.757 20.948 ( 12.171 0.000 -0.000) 12.171 21.747 ( 8.680 0.000 -0.000) 8.680 21.803 ( -3.119 -0.000 0.000) 3.119 22.297 ( -6.036 -0.000 0.000) 6.036 22.324 ( 9.472 0.000 -0.000) 9.472 22.389 ( -4.245 -0.000 0.000) 4.245 22.620 ( 2.015 0.000 -0.000) 2.015 22.667 ( 8.149 0.000 -0.000) 8.149 22.898 ( -4.002 -0.000 0.000) 4.002 22.957 ( -4.017 -0.000 0.000) 4.017 22.991 ( 11.441 0.000 -0.000) 11.441 23.160 ( 6.495 0.000 -0.000) 6.495 23.498 ( 1.504 0.000 -0.000) 1.504 23.825 ( -20.823 -0.000 0.000) 20.823 23.879 ( 11.294 0.000 -0.000) 11.294 23.926 ( -2.637 -0.000 0.000) 2.637 24.113 ( 25.323 0.000 -0.000) 25.323 24.128 ( 7.665 0.000 -0.000) 7.665 24.425 ( 15.825 0.000 -0.000) 15.825 24.581 ( -9.836 -0.000 0.000) 9.836 24.844 ( 7.565 0.000 -0.000) 7.565 25.568 ( -1.147 -0.000 0.000) 1.147 26.172 ( -10.544 -0.000 0.000) 10.544 26.476 ( -9.146 -0.000 0.000) 9.146 26.508 ( 0.550 0.000 -0.000) 0.550 26.733 ( -2.070 -0.000 0.000) 2.070 28.439 ( -3.471 -0.000 0.000) 3.471 28.525 ( 4.802 0.000 -0.000) 4.802 28.900 ( -11.387 -0.000 0.000) 11.387 29.033 ( -1.758 -0.000 0.000) 1.758 29.326 ( 1.672 0.000 -0.000) 1.672 29.409 ( 4.827 0.000 -0.000) 4.827 29.545 ( -8.531 -0.000 0.000) 8.531 29.651 ( 2.708 0.000 -0.000) 2.708 30.045 ( 12.161 0.000 -0.000) 12.161 30.222 ( 7.507 0.000 -0.000) 7.507 30.392 ( 4.420 0.000 -0.000) 4.420 30.699 ( 6.003 0.000 -0.000) 6.003 31.286 ( 7.659 0.000 -0.000) 7.659 31.348 ( -9.575 -0.000 0.000) 9.575 31.699 ( -4.214 -0.000 0.000) 4.214 32.107 ( -9.813 -0.000 0.000) 9.813 32.451 ( -7.397 -0.000 0.000) 7.397 33.225 ( -2.351 -0.000 0.000) 2.351 34.453 ( 2.729 0.000 -0.000) 2.729 34.786 ( -2.767 -0.000 0.000) 2.767 49.694 ( -0.877 -0.000 0.000) 0.877 50.299 ( 17.237 0.000 -0.000) 17.237 ======================= Grid point 191 (98/105) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 -0.000 1.240) 1.240 4.152 ( -0.000 0.000 -40.515) 40.515 5.063 ( 0.000 -0.000 71.478) 71.478 5.713 ( 0.000 -0.000 72.443) 72.443 6.758 ( -0.000 0.000 -3.349) 3.349 7.205 ( -0.000 0.000 -60.478) 60.478 7.509 ( 0.000 -0.000 9.182) 9.182 7.585 ( 0.000 -0.000 7.888) 7.888 7.990 ( -0.000 0.000 -12.360) 12.360 8.747 ( 0.000 -0.000 15.017) 15.017 9.584 ( -0.000 0.000 -36.358) 36.358 10.803 ( 0.000 -0.000 1.577) 1.577 11.344 ( -0.000 0.000 -68.555) 68.555 11.545 ( 0.000 -0.000 16.101) 16.101 11.823 ( 0.000 -0.000 11.094) 11.094 12.138 ( -0.000 0.000 -8.911) 8.911 12.406 ( 0.000 -0.000 25.841) 25.841 12.857 ( 0.000 -0.000 4.706) 4.706 13.078 ( 0.000 -0.000 10.312) 10.312 13.301 ( 0.000 -0.000 18.235) 18.235 13.639 ( -0.000 0.000 -8.940) 8.940 13.650 ( -0.000 0.000 -3.697) 3.697 14.165 ( 0.000 -0.000 9.259) 9.259 14.211 ( -0.000 0.000 -35.763) 35.763 14.536 ( 0.000 -0.000 17.939) 17.939 15.454 ( -0.000 0.000 -16.950) 16.950 16.510 ( -0.000 0.000 -7.441) 7.441 16.717 ( 0.000 -0.000 1.529) 1.529 17.106 ( 0.000 -0.000 4.605) 4.605 17.201 ( -0.000 0.000 -3.881) 3.881 17.575 ( -0.000 0.000 -1.330) 1.330 17.646 ( -0.000 0.000 -30.374) 30.374 17.831 ( 0.000 -0.000 6.333) 6.333 18.031 ( -0.000 0.000 -7.698) 7.698 18.174 ( 0.000 -0.000 9.169) 9.169 18.299 ( -0.000 0.000 -4.696) 4.696 18.631 ( 0.000 -0.000 28.242) 28.242 18.655 ( -0.000 0.000 -1.320) 1.320 19.095 ( -0.000 0.000 -0.913) 0.913 19.155 ( -0.000 0.000 -10.105) 10.105 19.526 ( 0.000 -0.000 24.207) 24.207 19.787 ( -0.000 0.000 -9.686) 9.686 19.916 ( -0.000 0.000 -15.860) 15.860 19.940 ( -0.000 0.000 -4.623) 4.623 20.170 ( 0.000 -0.000 16.442) 16.442 21.075 ( 0.000 -0.000 11.589) 11.589 21.171 ( 0.000 -0.000 3.072) 3.072 21.202 ( 0.000 -0.000 5.386) 5.386 21.319 ( 0.000 -0.000 25.846) 25.846 21.910 ( 0.000 -0.000 7.480) 7.480 21.963 ( 0.000 -0.000 7.403) 7.403 22.001 ( 0.000 -0.000 12.766) 12.766 22.362 ( 0.000 -0.000 6.298) 6.298 22.369 ( -0.000 0.000 -6.708) 6.708 22.395 ( -0.000 0.000 -3.432) 3.432 22.627 ( -0.000 0.000 -11.320) 11.320 22.682 ( -0.000 0.000 -9.013) 9.013 23.190 ( -0.000 0.000 -9.213) 9.213 23.227 ( 0.000 -0.000 10.220) 10.220 23.313 ( 0.000 -0.000 7.302) 7.302 23.522 ( 0.000 -0.000 6.158) 6.158 23.824 ( 0.000 -0.000 5.191) 5.191 23.883 ( -0.000 0.000 -13.089) 13.089 23.895 ( 0.000 -0.000 6.054) 6.054 24.049 ( 0.000 -0.000 9.319) 9.319 24.149 ( -0.000 0.000 -13.190) 13.190 24.763 ( -0.000 0.000 -24.119) 24.119 25.053 ( -0.000 0.000 -7.663) 7.663 25.141 ( -0.000 0.000 -3.637) 3.637 25.611 ( 0.000 -0.000 4.018) 4.018 25.729 ( 0.000 -0.000 1.845) 1.845 26.065 ( -0.000 0.000 -6.981) 6.981 26.546 ( 0.000 -0.000 14.768) 14.768 26.998 ( 0.000 -0.000 4.252) 4.252 28.177 ( -0.000 0.000 -4.969) 4.969 28.282 ( 0.000 -0.000 1.262) 1.262 28.707 ( -0.000 0.000 -4.989) 4.989 28.866 ( -0.000 0.000 -5.834) 5.834 29.198 ( 0.000 -0.000 9.123) 9.123 29.595 ( -0.000 0.000 -0.912) 0.912 29.734 ( 0.000 -0.000 8.510) 8.510 29.745 ( -0.000 0.000 -1.381) 1.381 30.248 ( -0.000 0.000 -11.224) 11.224 30.387 ( -0.000 0.000 -5.980) 5.980 30.728 ( 0.000 -0.000 2.912) 2.912 30.969 ( -0.000 0.000 -1.351) 1.351 31.110 ( 0.000 -0.000 5.494) 5.494 31.297 ( -0.000 0.000 -4.080) 4.080 31.657 ( 0.000 -0.000 1.240) 1.240 31.677 ( 0.000 -0.000 5.227) 5.227 32.315 ( 0.000 -0.000 8.911) 8.911 32.927 ( -0.000 0.000 -7.157) 7.157 34.471 ( -0.000 0.000 -3.044) 3.044 34.770 ( 0.000 -0.000 2.810) 2.810 49.627 ( -0.000 0.000 -1.392) 1.392 50.674 ( -0.000 0.000 -14.379) 14.379 ======================= Grid point 196 (99/105) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -31.147 -2.141 -0.000) 31.220 2.771 ( -62.731 8.812 0.000) 63.347 4.129 ( -99.210 16.368 0.000) 100.551 5.683 ( -1.010 -25.915 -0.000) 25.935 6.859 ( -1.491 2.640 0.000) 3.032 7.098 ( 10.354 2.722 0.000) 10.706 7.834 ( 0.591 1.171 0.000) 1.311 8.123 ( 8.533 1.797 0.000) 8.720 8.329 ( -3.602 -12.311 -0.000) 12.827 9.233 ( 14.495 76.702 0.000) 78.060 9.696 ( -14.763 -4.900 -0.000) 15.555 10.424 ( -3.692 -4.824 -0.000) 6.075 11.369 ( -8.034 -17.524 -0.000) 19.278 11.601 ( -9.999 -1.891 -0.000) 10.176 11.618 ( 17.057 1.742 0.000) 17.146 11.851 ( 20.613 -6.208 -0.000) 21.527 12.572 ( 17.766 -0.032 -0.000) 17.766 12.594 ( -6.144 2.382 0.000) 6.590 13.051 ( 5.445 -9.097 -0.000) 10.602 13.260 ( -23.211 31.232 0.000) 38.913 13.489 ( -20.910 -11.201 -0.000) 23.722 14.022 ( -23.096 18.413 0.000) 29.537 14.659 ( 15.943 -26.640 -0.000) 31.047 14.826 ( 2.662 -31.421 -0.000) 31.534 15.451 ( -9.409 -15.689 -0.000) 18.294 15.517 ( 12.883 17.044 0.000) 21.365 16.746 ( 1.629 0.330 0.000) 1.662 17.023 ( -4.654 4.890 0.000) 6.751 17.053 ( -0.097 -17.366 -0.000) 17.366 17.349 ( 12.356 15.730 0.000) 20.003 17.412 ( -23.576 -2.337 -0.000) 23.692 17.690 ( -6.864 12.920 0.000) 14.630 17.932 ( -13.109 13.089 0.000) 18.525 18.063 ( -8.502 -11.082 -0.000) 13.967 18.242 ( 3.030 9.761 0.000) 10.221 18.351 ( -1.310 5.547 0.000) 5.699 18.488 ( 1.801 -11.947 -0.000) 12.082 18.622 ( 0.656 -27.473 -0.000) 27.481 18.769 ( 3.255 0.229 0.000) 3.263 18.901 ( 10.089 11.456 0.000) 15.266 19.310 ( -3.171 15.801 0.000) 16.116 19.461 ( 10.756 3.123 0.000) 11.200 19.934 ( 12.341 -9.016 -0.000) 15.284 20.224 ( 11.800 -2.111 -0.000) 11.987 20.365 ( 25.130 -8.259 -0.000) 26.452 20.599 ( 7.360 3.667 0.000) 8.223 20.603 ( 1.989 -18.757 -0.000) 18.862 20.944 ( -10.583 -1.543 -0.000) 10.695 20.990 ( 2.463 -7.912 -0.000) 8.287 21.557 ( -9.889 0.080 0.000) 9.889 21.706 ( -1.630 -0.213 -0.000) 1.644 21.962 ( -10.408 12.035 0.000) 15.911 22.137 ( -6.884 12.348 0.000) 14.137 22.374 ( 7.023 8.356 0.000) 10.916 22.673 ( 6.380 1.791 0.000) 6.627 22.741 ( -8.013 -2.135 -0.000) 8.293 22.758 ( 5.963 -1.132 -0.000) 6.069 23.054 ( -12.151 0.370 0.000) 12.156 23.142 ( -4.865 -1.112 -0.000) 4.991 23.210 ( 12.632 5.412 0.000) 13.743 23.538 ( -1.256 -2.107 -0.000) 2.453 23.589 ( 8.152 -5.198 -0.000) 9.668 23.863 ( -0.254 0.344 0.000) 0.427 23.920 ( -16.906 9.927 0.000) 19.605 24.482 ( 5.032 -18.336 -0.000) 19.014 24.604 ( 12.001 -2.602 -0.000) 12.279 25.105 ( 17.447 2.957 0.000) 17.696 25.149 ( 15.028 -0.942 -0.000) 15.058 25.199 ( 7.198 -4.719 -0.000) 8.607 25.463 ( -2.045 5.870 0.000) 6.216 25.803 ( -8.996 -4.352 -0.000) 9.994 26.080 ( -8.352 0.295 0.000) 8.358 26.506 ( 0.865 1.366 0.000) 1.617 26.592 ( -3.159 0.429 0.000) 3.188 28.271 ( -4.494 3.021 0.000) 5.415 28.502 ( -4.961 -0.396 -0.000) 4.977 28.661 ( 1.230 -1.470 -0.000) 1.916 28.816 ( -3.134 12.626 0.000) 13.010 29.388 ( -2.833 -14.784 -0.000) 15.053 29.415 ( 0.816 -1.701 -0.000) 1.886 29.613 ( 2.144 -0.469 -0.000) 2.195 29.761 ( 2.043 0.421 0.000) 2.086 30.418 ( 6.963 3.811 0.000) 7.937 30.542 ( 5.448 -3.840 -0.000) 6.665 30.645 ( 5.697 -0.664 -0.000) 5.736 30.688 ( -1.589 16.685 0.000) 16.761 31.130 ( 1.353 -6.116 -0.000) 6.264 31.482 ( 0.069 -0.524 -0.000) 0.528 31.563 ( -1.716 -3.336 -0.000) 3.751 31.602 ( -9.737 6.227 0.000) 11.558 32.211 ( -7.060 -4.869 -0.000) 8.576 33.096 ( -1.974 1.705 0.000) 2.608 34.599 ( 1.914 -3.684 -0.000) 4.152 34.662 ( -1.530 2.802 0.000) 3.192 49.664 ( -0.340 0.160 0.000) 0.376 50.917 ( 11.399 0.523 -0.000) 11.411 ======================= Grid point 208 (100/105) ======================= q-point: (-0.36 0.53 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -29.892 -0.000 1.008) 29.909 3.602 ( -32.460 -0.000 59.580) 67.849 4.942 ( -84.972 -0.000 48.618) 97.897 5.185 ( -8.701 0.000 -11.929) 14.765 6.839 ( -1.036 0.000 -3.166) 3.331 7.199 ( 12.326 0.000 5.230) 13.389 7.750 ( -1.917 0.000 -15.809) 15.925 7.827 ( -1.824 0.000 -2.447) 3.052 8.529 ( 2.316 -0.000 11.110) 11.349 8.896 ( -12.234 0.000 -50.772) 52.226 10.023 ( 12.869 0.000 -13.803) 18.871 10.666 ( -1.670 -0.000 14.462) 14.559 11.338 ( -9.447 -0.000 0.084) 9.447 11.384 ( -3.661 -0.000 23.643) 23.924 11.872 ( 39.993 0.000 0.465) 39.995 12.053 ( -3.225 -0.000 26.676) 26.870 12.481 ( 11.217 0.000 -13.542) 17.584 12.563 ( 2.670 0.000 -33.201) 33.308 12.704 ( 4.917 -0.000 5.542) 7.409 13.354 ( -19.485 -0.000 -0.350) 19.488 13.839 ( -2.237 0.000 -4.942) 5.425 14.077 ( -32.924 -0.000 4.189) 33.189 14.337 ( -16.936 -0.000 0.432) 16.942 14.402 ( 2.301 0.000 2.347) 3.287 15.019 ( -10.389 0.000 -26.699) 28.649 15.632 ( 8.950 0.000 -7.510) 11.683 16.627 ( 4.160 0.000 -6.787) 7.961 16.873 ( -3.473 0.000 -7.842) 8.577 17.102 ( -7.550 -0.000 -7.713) 10.793 17.175 ( -1.665 -0.000 5.596) 5.838 17.585 ( 4.197 0.000 0.379) 4.215 17.789 ( -3.477 -0.000 -1.984) 4.004 17.912 ( -0.177 -0.000 7.394) 7.397 18.096 ( 8.255 0.000 -14.717) 16.874 18.145 ( 5.076 0.000 -11.032) 12.144 18.289 ( -13.552 -0.000 15.236) 20.391 18.379 ( 6.175 0.000 -11.290) 12.868 18.609 ( -5.407 -0.000 7.711) 9.418 18.969 ( -2.847 -0.000 30.154) 30.288 19.169 ( 3.719 0.000 -0.616) 3.770 19.362 ( -0.706 0.000 -6.978) 7.014 19.641 ( 8.693 -0.000 13.445) 16.010 19.772 ( 19.386 0.000 -5.489) 20.148 20.116 ( -0.386 0.000 -7.346) 7.356 20.329 ( 6.727 0.000 -11.677) 13.476 20.580 ( 13.954 -0.000 21.842) 25.919 20.728 ( 7.977 -0.000 10.502) 13.188 21.004 ( 4.016 -0.000 11.304) 11.996 21.034 ( -9.774 -0.000 11.543) 15.125 21.715 ( -1.815 -0.000 11.087) 11.235 21.776 ( -1.743 -0.000 7.161) 7.370 21.994 ( -14.374 -0.000 1.553) 14.458 22.258 ( 4.187 0.000 -1.506) 4.450 22.519 ( -2.243 0.000 -5.225) 5.686 22.522 ( -1.046 0.000 -7.389) 7.462 22.726 ( 6.965 0.000 -4.028) 8.045 22.790 ( 0.688 0.000 0.168) 0.708 23.130 ( -14.746 -0.000 8.653) 17.097 23.182 ( -3.205 -0.000 6.287) 7.057 23.316 ( 12.037 0.000 2.877) 12.376 23.359 ( 2.957 0.000 -8.352) 8.860 23.663 ( 4.723 -0.000 5.419) 7.188 23.783 ( 0.014 0.000 -4.794) 4.794 24.125 ( -14.793 -0.000 6.998) 16.365 24.148 ( 11.791 0.000 -16.112) 19.966 24.352 ( 3.568 0.000 -10.211) 10.817 25.002 ( 14.009 0.000 -11.859) 18.355 25.118 ( 6.942 0.000 -3.189) 7.640 25.173 ( 9.954 0.000 -1.412) 10.054 25.539 ( -1.654 -0.000 1.120) 1.998 25.791 ( -7.317 -0.000 2.371) 7.692 26.228 ( -3.736 -0.000 12.859) 13.391 26.286 ( -2.624 0.000 -11.131) 11.436 26.818 ( 0.858 -0.000 10.005) 10.042 28.299 ( -3.705 -0.000 -0.109) 3.706 28.371 ( -4.639 0.000 -7.402) 8.736 28.741 ( -0.099 -0.000 3.015) 3.016 29.039 ( 0.241 -0.000 4.090) 4.097 29.051 ( -4.256 0.000 -7.690) 8.789 29.538 ( 0.458 -0.000 7.592) 7.606 29.604 ( 1.172 -0.000 1.382) 1.812 29.752 ( 2.174 0.000 -1.198) 2.483 30.392 ( 5.152 0.000 -5.627) 7.629 30.459 ( 4.384 0.000 -4.102) 6.004 30.637 ( 5.662 0.000 0.253) 5.667 30.936 ( 5.609 0.000 -1.046) 5.705 31.028 ( -4.787 -0.000 4.447) 6.534 31.439 ( -6.388 -0.000 -1.832) 6.646 31.532 ( 4.975 0.000 -0.712) 5.026 31.721 ( -8.885 -0.000 4.032) 9.757 32.213 ( -5.016 -0.000 4.908) 7.017 33.078 ( -3.092 -0.000 -3.152) 4.416 34.526 ( 1.324 0.000 -2.875) 3.165 34.719 ( -0.884 -0.000 2.348) 2.509 49.656 ( -0.461 0.000 -0.874) 0.989 50.829 ( 9.783 0.000 -8.470) 12.940 ======================= Grid point 223 (101/105) ======================= q-point: (-0.39 0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( -41.097 -0.000 0.000) 41.097 4.232 ( -74.992 -0.000 0.000) 74.992 5.436 ( 0.056 0.000 -0.000) 0.056 6.422 (-110.120 -0.000 0.000) 110.120 6.836 ( 18.483 0.000 -0.000) 18.483 6.920 ( -2.814 -0.000 0.000) 2.814 7.817 ( 3.363 0.000 -0.000) 3.363 7.931 ( 12.725 0.000 -0.000) 12.725 8.345 ( -7.759 -0.000 0.000) 7.759 9.542 ( 20.847 0.000 -0.000) 20.847 10.022 ( -20.266 -0.000 0.000) 20.266 10.539 ( -0.443 -0.000 0.000) 0.443 10.944 ( 44.054 0.000 -0.000) 44.054 11.308 ( -14.060 -0.000 0.000) 14.060 11.459 ( 17.414 0.000 -0.000) 17.414 11.729 ( -10.894 -0.000 0.000) 10.894 12.669 ( -5.028 -0.000 0.000) 5.028 12.799 ( 9.959 0.000 -0.000) 9.959 12.801 ( -12.214 -0.000 0.000) 12.214 13.750 ( -20.823 -0.000 0.000) 20.823 13.870 ( 2.696 0.000 -0.000) 2.696 14.216 ( -5.360 -0.000 0.000) 5.360 14.388 ( 2.472 0.000 -0.000) 2.472 14.864 ( -37.699 -0.000 0.000) 37.699 15.452 ( 15.024 0.000 -0.000) 15.024 15.640 ( -27.641 -0.000 0.000) 27.641 16.713 ( -1.311 -0.000 0.000) 1.311 16.871 ( 1.503 0.000 -0.000) 1.503 17.166 ( -1.530 -0.000 0.000) 1.530 17.249 ( 11.323 0.000 -0.000) 11.323 17.626 ( -4.202 -0.000 0.000) 4.202 17.947 ( -9.716 -0.000 0.000) 9.716 18.105 ( 3.651 0.000 -0.000) 3.651 18.135 ( 13.590 0.000 -0.000) 13.590 18.422 ( 8.222 0.000 -0.000) 8.222 18.423 ( -13.342 -0.000 0.000) 13.342 18.470 ( -4.153 -0.000 0.000) 4.153 18.526 ( -35.696 -0.000 0.000) 35.696 18.646 ( 5.271 0.000 -0.000) 5.271 18.730 ( 11.353 0.000 -0.000) 11.353 19.014 ( 36.247 0.000 -0.000) 36.247 19.405 ( 25.292 0.000 -0.000) 25.292 19.511 ( -3.187 -0.000 0.000) 3.187 20.017 ( 2.685 0.000 -0.000) 2.685 20.121 ( 14.500 0.000 -0.000) 14.500 20.319 ( -6.045 -0.000 0.000) 6.045 20.539 ( 5.780 0.000 -0.000) 5.780 20.810 ( 1.801 0.000 -0.000) 1.801 21.062 ( -1.047 -0.000 0.000) 1.047 21.745 ( -2.609 -0.000 0.000) 2.609 21.774 ( -7.201 -0.000 0.000) 7.201 22.221 ( 0.640 0.000 -0.000) 0.640 22.245 ( -10.533 -0.000 0.000) 10.533 22.527 ( 11.013 0.000 -0.000) 11.013 22.655 ( 1.688 0.000 -0.000) 1.688 22.698 ( -4.622 -0.000 0.000) 4.622 22.788 ( -6.292 -0.000 0.000) 6.292 23.024 ( 10.716 0.000 -0.000) 10.716 23.203 ( -1.473 -0.000 0.000) 1.473 23.253 ( 10.082 0.000 -0.000) 10.082 23.426 ( -14.838 -0.000 0.000) 14.838 23.521 ( 0.267 0.000 -0.000) 0.267 23.885 ( -1.484 -0.000 0.000) 1.484 24.104 ( 10.347 0.000 -0.000) 10.347 24.328 ( 12.157 0.000 -0.000) 12.157 24.338 ( -14.603 -0.000 0.000) 14.603 24.669 ( 28.283 0.000 -0.000) 28.283 24.786 ( 19.918 0.000 -0.000) 19.918 25.004 ( 8.143 0.000 -0.000) 8.143 25.545 ( -1.239 -0.000 0.000) 1.239 25.957 ( -10.821 -0.000 0.000) 10.821 26.279 ( -10.545 -0.000 0.000) 10.545 26.509 ( -0.048 -0.000 0.000) 0.048 26.670 ( -3.917 -0.000 0.000) 3.917 28.376 ( -3.199 -0.000 0.000) 3.199 28.603 ( 3.091 0.000 -0.000) 3.091 28.671 ( -11.209 -0.000 0.000) 11.209 29.013 ( -0.455 -0.000 0.000) 0.455 29.322 ( -8.786 -0.000 0.000) 8.786 29.365 ( 2.042 0.000 -0.000) 2.042 29.547 ( 4.046 0.000 -0.000) 4.046 29.711 ( 3.158 0.000 -0.000) 3.158 30.275 ( 10.795 0.000 -0.000) 10.795 30.375 ( 7.654 0.000 -0.000) 7.654 30.504 ( 6.772 0.000 -0.000) 6.772 30.824 ( 6.506 0.000 -0.000) 6.506 31.144 ( -10.308 -0.000 0.000) 10.308 31.433 ( 7.003 0.000 -0.000) 7.003 31.590 ( -6.568 -0.000 0.000) 6.568 31.890 ( -11.769 -0.000 0.000) 11.769 32.299 ( -7.834 -0.000 0.000) 7.834 33.169 ( -3.145 -0.000 0.000) 3.145 34.511 ( 3.014 0.000 -0.000) 3.014 34.732 ( -2.624 -0.000 0.000) 2.624 49.677 ( -0.734 -0.000 0.000) 0.734 50.642 ( 16.793 0.000 -0.000) 16.793 ======================= Grid point 230 (102/105) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.000 12.071 0.000) 12.071 2.252 ( -0.000 0.792 0.000) 0.792 2.971 ( -0.000 19.490 0.000) 19.490 5.672 ( 0.000 -26.156 -0.000) 26.156 6.845 ( -0.000 2.809 0.000) 2.809 7.203 ( -0.000 3.384 0.000) 3.384 7.835 ( -0.000 0.466 0.000) 0.466 8.208 ( -0.000 0.338 0.000) 0.338 8.294 ( 0.000 -13.362 -0.000) 13.362 9.419 ( -0.000 90.505 0.000) 90.505 9.537 ( 0.000 -5.159 -0.000) 5.159 10.376 ( 0.000 -8.861 -0.000) 8.861 11.255 ( 0.000 -19.411 -0.000) 19.411 11.459 ( 0.000 -4.100 -0.000) 4.100 11.644 ( 0.000 -15.777 -0.000) 15.777 12.474 ( 0.000 -0.269 -0.000) 0.269 12.539 ( -0.000 2.103 0.000) 2.103 12.746 ( -0.000 51.509 0.000) 51.509 12.960 ( 0.000 -0.863 -0.000) 0.863 13.104 ( 0.000 -16.538 -0.000) 16.538 13.120 ( 0.000 -11.204 -0.000) 11.204 13.790 ( -0.000 17.941 0.000) 17.941 14.824 ( 0.000 -43.971 -0.000) 43.971 14.850 ( 0.000 -25.317 -0.000) 25.317 15.383 ( 0.000 -7.749 -0.000) 7.749 15.665 ( -0.000 12.188 0.000) 12.188 16.826 ( -0.000 6.657 0.000) 6.657 17.006 ( -0.000 0.040 0.000) 0.040 17.019 ( -0.000 1.060 0.000) 1.060 17.051 ( 0.000 -18.090 -0.000) 18.090 17.549 ( -0.000 24.333 0.000) 24.333 17.607 ( -0.000 15.127 0.000) 15.127 17.720 ( -0.000 3.807 0.000) 3.807 18.012 ( 0.000 -15.386 -0.000) 15.386 18.263 ( -0.000 10.306 0.000) 10.306 18.348 ( -0.000 7.611 0.000) 7.611 18.508 ( 0.000 -6.406 -0.000) 6.406 18.627 ( 0.000 -41.373 -0.000) 41.373 18.804 ( 0.000 -1.366 -0.000) 1.366 19.007 ( -0.000 24.995 0.000) 24.995 19.276 ( -0.000 17.059 0.000) 17.059 19.542 ( -0.000 2.161 0.000) 2.161 20.075 ( 0.000 -2.524 -0.000) 2.524 20.420 ( 0.000 -18.895 -0.000) 18.895 20.587 ( -0.000 1.276 0.000) 1.276 20.652 ( -0.000 0.379 0.000) 0.379 20.686 ( 0.000 -17.043 -0.000) 17.043 20.795 ( 0.000 -9.054 -0.000) 9.054 21.045 ( -0.000 3.502 0.000) 3.502 21.451 ( 0.000 -1.692 -0.000) 1.692 21.689 ( 0.000 -0.334 -0.000) 0.334 21.799 ( -0.000 0.042 0.000) 0.042 22.069 ( -0.000 22.132 0.000) 22.132 22.485 ( -0.000 2.383 0.000) 2.383 22.621 ( -0.000 1.515 0.000) 1.515 22.743 ( 0.000 -1.721 -0.000) 1.721 22.867 ( -0.000 3.378 0.000) 3.378 22.892 ( -0.000 0.852 0.000) 0.852 23.073 ( 0.000 -3.707 -0.000) 3.707 23.410 ( -0.000 5.910 0.000) 5.910 23.526 ( 0.000 -1.726 -0.000) 1.726 23.670 ( 0.000 -4.193 -0.000) 4.193 23.673 ( -0.000 11.138 0.000) 11.138 23.862 ( 0.000 -0.162 -0.000) 0.162 24.530 ( 0.000 -18.113 -0.000) 18.113 24.743 ( 0.000 -2.852 -0.000) 2.852 25.239 ( 0.000 -4.546 -0.000) 4.546 25.294 ( -0.000 0.718 0.000) 0.718 25.367 ( 0.000 -1.833 -0.000) 1.833 25.424 ( -0.000 9.042 0.000) 9.042 25.684 ( 0.000 -4.315 -0.000) 4.315 25.989 ( 0.000 -0.019 -0.000) 0.019 26.520 ( -0.000 1.626 0.000) 1.626 26.559 ( -0.000 0.527 0.000) 0.527 28.216 ( -0.000 2.791 0.000) 2.791 28.458 ( 0.000 -0.595 -0.000) 0.595 28.672 ( 0.000 -1.225 -0.000) 1.225 28.783 ( -0.000 13.630 0.000) 13.630 29.360 ( 0.000 -15.677 -0.000) 15.677 29.422 ( 0.000 -1.403 -0.000) 1.403 29.634 ( 0.000 -0.514 -0.000) 0.514 29.782 ( -0.000 0.530 0.000) 0.530 30.489 ( -0.000 3.453 0.000) 3.453 30.597 ( 0.000 -3.785 -0.000) 3.785 30.671 ( -0.000 16.779 0.000) 16.779 30.708 ( 0.000 -0.020 -0.000) 0.020 31.162 ( 0.000 -7.610 -0.000) 7.610 31.455 ( 0.000 -6.523 -0.000) 6.523 31.488 ( -0.000 6.705 0.000) 6.705 31.567 ( -0.000 2.638 0.000) 2.638 32.136 ( 0.000 -3.418 -0.000) 3.418 33.075 ( -0.000 1.310 0.000) 1.310 34.619 ( 0.000 -3.545 -0.000) 3.545 34.646 ( -0.000 2.706 0.000) 2.706 49.661 ( -0.000 0.061 0.000) 0.061 51.035 ( 0.000 -0.527 -0.000) 0.527 ======================= Grid point 244 (103/105) ======================= q-point: (-0.42 0.58 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 -0.000 0.823) 0.823 3.485 ( 0.000 -0.000 95.706) 95.706 3.744 ( 0.000 -0.000 51.138) 51.138 5.138 ( -0.000 0.000 -22.078) 22.078 6.828 ( -0.000 0.000 -3.197) 3.197 7.332 ( 0.000 -0.000 7.294) 7.294 7.729 ( -0.000 0.000 -17.888) 17.888 7.794 ( -0.000 0.000 -5.945) 5.945 8.560 ( 0.000 -0.000 10.870) 10.870 8.764 ( -0.000 0.000 -50.817) 50.817 10.208 ( -0.000 0.000 -28.288) 28.288 10.645 ( 0.000 -0.000 15.883) 15.883 11.200 ( 0.000 -0.000 13.394) 13.394 11.344 ( 0.000 -0.000 24.216) 24.216 11.903 ( 0.000 -0.000 23.622) 23.622 12.292 ( -0.000 0.000 -6.861) 6.861 12.612 ( -0.000 0.000 -37.019) 37.019 12.869 ( -0.000 0.000 -7.116) 7.116 12.909 ( 0.000 -0.000 18.598) 18.598 12.967 ( 0.000 -0.000 1.908) 1.908 13.607 ( 0.000 -0.000 4.712) 4.712 13.819 ( -0.000 0.000 -7.346) 7.346 14.101 ( -0.000 0.000 -0.965) 0.965 14.436 ( -0.000 0.000 -7.367) 7.367 14.955 ( -0.000 0.000 -32.243) 32.243 15.724 ( -0.000 0.000 -8.769) 8.769 16.733 ( -0.000 0.000 -3.873) 3.873 16.767 ( -0.000 0.000 -16.864) 16.864 17.021 ( 0.000 -0.000 4.534) 4.534 17.152 ( 0.000 -0.000 8.471) 8.471 17.643 ( -0.000 0.000 -5.709) 5.709 17.726 ( 0.000 -0.000 2.965) 2.965 17.997 ( 0.000 -0.000 7.307) 7.307 18.086 ( 0.000 -0.000 22.447) 22.447 18.149 ( -0.000 0.000 -3.953) 3.953 18.250 ( -0.000 0.000 -18.741) 18.741 18.445 ( -0.000 0.000 -14.171) 14.171 18.520 ( 0.000 -0.000 8.137) 8.137 18.932 ( 0.000 -0.000 32.397) 32.397 19.206 ( -0.000 0.000 -7.028) 7.028 19.356 ( -0.000 0.000 -8.182) 8.182 19.696 ( 0.000 -0.000 11.506) 11.506 20.031 ( -0.000 0.000 -4.622) 4.622 20.119 ( -0.000 0.000 -5.932) 5.932 20.365 ( -0.000 0.000 -23.781) 23.781 20.749 ( 0.000 -0.000 24.517) 24.517 20.801 ( 0.000 -0.000 12.135) 12.135 20.906 ( 0.000 -0.000 20.326) 20.326 21.115 ( 0.000 -0.000 3.026) 3.026 21.702 ( 0.000 -0.000 17.017) 17.017 21.757 ( 0.000 -0.000 7.577) 7.577 21.789 ( 0.000 -0.000 3.878) 3.878 22.310 ( 0.000 -0.000 0.442) 0.442 22.486 ( -0.000 0.000 -4.536) 4.536 22.509 ( -0.000 0.000 -6.901) 6.901 22.824 ( -0.000 0.000 -7.003) 7.003 22.849 ( -0.000 0.000 -5.999) 5.999 22.923 ( 0.000 -0.000 13.836) 13.836 23.122 ( 0.000 -0.000 8.881) 8.881 23.382 ( -0.000 0.000 -8.547) 8.547 23.480 ( -0.000 0.000 -0.962) 0.962 23.714 ( 0.000 -0.000 5.231) 5.231 23.808 ( 0.000 -0.000 2.627) 2.627 23.914 ( 0.000 -0.000 4.504) 4.504 24.295 ( -0.000 0.000 -2.305) 2.305 24.375 ( -0.000 0.000 -26.254) 26.254 25.163 ( -0.000 0.000 -13.347) 13.347 25.168 ( -0.000 0.000 -3.333) 3.333 25.270 ( -0.000 0.000 -6.830) 6.830 25.539 ( 0.000 -0.000 2.701) 2.701 25.691 ( 0.000 -0.000 2.298) 2.298 26.198 ( 0.000 -0.000 16.802) 16.802 26.261 ( -0.000 0.000 -12.052) 12.052 26.830 ( 0.000 -0.000 11.380) 11.380 28.243 ( -0.000 0.000 -0.356) 0.356 28.336 ( -0.000 0.000 -6.942) 6.942 28.742 ( 0.000 -0.000 2.732) 2.732 29.005 ( -0.000 0.000 -7.271) 7.271 29.042 ( 0.000 -0.000 4.359) 4.359 29.540 ( 0.000 -0.000 9.507) 9.507 29.618 ( -0.000 0.000 -1.004) 1.004 29.774 ( -0.000 0.000 -1.201) 1.201 30.444 ( -0.000 0.000 -7.057) 7.057 30.503 ( -0.000 0.000 -4.747) 4.747 30.697 ( 0.000 -0.000 0.061) 0.061 30.987 ( 0.000 -0.000 5.861) 5.861 31.000 ( -0.000 0.000 -1.354) 1.354 31.366 ( -0.000 0.000 -2.431) 2.431 31.589 ( 0.000 -0.000 3.093) 3.093 31.618 ( 0.000 -0.000 2.050) 2.050 32.160 ( 0.000 -0.000 5.567) 5.567 33.045 ( -0.000 0.000 -3.974) 3.974 34.539 ( -0.000 0.000 -3.264) 3.264 34.711 ( 0.000 -0.000 2.735) 2.735 49.652 ( -0.000 0.000 -0.907) 0.907 50.929 ( -0.000 0.000 -9.269) 9.269 ======================= Grid point 259 (104/105) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -29.767 -0.000 0.000) 29.767 2.849 ( -60.747 -0.000 0.000) 60.747 4.290 ( -97.522 -0.000 0.000) 97.522 5.415 ( -1.337 -0.000 0.000) 1.337 6.881 ( -1.265 -0.000 0.000) 1.265 7.131 ( 11.052 0.000 -0.000) 11.052 7.847 ( -0.051 -0.000 0.000) 0.051 8.138 ( 7.406 0.000 -0.000) 7.406 8.219 ( -4.558 -0.000 0.000) 4.558 9.650 ( -15.393 -0.000 0.000) 15.393 10.016 ( 25.883 0.000 -0.000) 25.883 10.476 ( -1.425 -0.000 0.000) 1.425 11.125 ( -5.505 -0.000 0.000) 5.505 11.520 ( -19.308 -0.000 0.000) 19.308 11.548 ( -6.477 -0.000 0.000) 6.477 11.868 ( 46.257 0.000 -0.000) 46.257 12.575 ( 8.050 0.000 -0.000) 8.050 12.646 ( -4.301 -0.000 0.000) 4.301 12.960 ( 5.867 0.000 -0.000) 5.867 13.361 ( -20.403 -0.000 0.000) 20.403 13.898 ( 0.569 0.000 -0.000) 0.569 14.006 ( -32.333 -0.000 0.000) 32.333 14.349 ( -19.407 -0.000 0.000) 19.407 14.389 ( 16.100 0.000 -0.000) 16.100 15.354 ( -2.953 -0.000 0.000) 2.953 15.710 ( 10.145 0.000 -0.000) 10.145 16.734 ( 4.517 0.000 -0.000) 4.517 16.874 ( -0.412 -0.000 0.000) 0.412 17.068 ( -5.822 -0.000 0.000) 5.822 17.384 ( -20.268 -0.000 0.000) 20.268 17.496 ( 13.642 0.000 -0.000) 13.642 17.829 ( -3.875 -0.000 0.000) 3.875 17.986 ( -15.883 -0.000 0.000) 15.883 18.106 ( -16.680 -0.000 0.000) 16.680 18.164 ( 2.288 0.000 -0.000) 2.288 18.318 ( 5.561 0.000 -0.000) 5.561 18.435 ( -0.435 -0.000 0.000) 0.435 18.450 ( -1.250 -0.000 0.000) 1.250 18.710 ( 1.801 0.000 -0.000) 1.801 19.092 ( 18.316 0.000 -0.000) 18.316 19.465 ( -1.416 -0.000 0.000) 1.416 19.493 ( 9.816 0.000 -0.000) 9.816 19.872 ( 20.782 0.000 -0.000) 20.782 20.225 ( -3.392 -0.000 0.000) 3.392 20.263 ( 19.007 0.000 -0.000) 19.007 20.381 ( 12.522 0.000 -0.000) 12.522 20.642 ( 3.126 0.000 -0.000) 3.126 20.902 ( 8.851 0.000 -0.000) 8.851 20.927 ( -11.440 -0.000 0.000) 11.440 21.557 ( -11.331 -0.000 0.000) 11.331 21.703 ( -1.658 -0.000 0.000) 1.658 21.979 ( -15.854 -0.000 0.000) 15.854 22.277 ( 3.041 0.000 -0.000) 3.041 22.593 ( -4.654 -0.000 0.000) 4.654 22.679 ( -4.259 -0.000 0.000) 4.259 22.692 ( 2.123 0.000 -0.000) 2.123 22.745 ( 10.691 0.000 -0.000) 10.691 23.054 ( -12.786 -0.000 0.000) 12.786 23.125 ( -5.943 -0.000 0.000) 5.943 23.282 ( 14.401 0.000 -0.000) 14.401 23.511 ( -0.975 -0.000 0.000) 0.975 23.545 ( 8.984 0.000 -0.000) 8.984 23.867 ( -0.509 -0.000 0.000) 0.509 24.024 ( -16.646 -0.000 0.000) 16.646 24.259 ( 5.260 0.000 -0.000) 5.260 24.580 ( 12.009 0.000 -0.000) 12.009 25.131 ( 17.040 0.000 -0.000) 17.040 25.144 ( 5.492 0.000 -0.000) 5.492 25.155 ( 16.331 0.000 -0.000) 16.331 25.521 ( -1.099 -0.000 0.000) 1.099 25.760 ( -9.064 -0.000 0.000) 9.064 26.084 ( -8.509 -0.000 0.000) 8.509 26.519 ( 1.078 0.000 -0.000) 1.078 26.597 ( -3.069 -0.000 0.000) 3.069 28.301 ( -4.448 -0.000 0.000) 4.448 28.499 ( -5.399 -0.000 0.000) 5.399 28.647 ( 1.373 0.000 -0.000) 1.373 29.010 ( 0.006 0.000 -0.000) 0.006 29.173 ( -5.792 -0.000 0.000) 5.792 29.397 ( 1.089 0.000 -0.000) 1.089 29.609 ( 2.103 0.000 -0.000) 2.103 29.765 ( 2.151 0.000 -0.000) 2.151 30.452 ( 6.723 0.000 -0.000) 6.723 30.505 ( 5.081 0.000 -0.000) 5.081 30.639 ( 6.186 0.000 -0.000) 6.186 30.947 ( 5.732 0.000 -0.000) 5.732 30.974 ( -6.392 -0.000 0.000) 6.392 31.460 ( -5.949 -0.000 0.000) 5.949 31.548 ( 4.353 0.000 -0.000) 4.353 31.668 ( -9.922 -0.000 0.000) 9.922 32.160 ( -5.708 -0.000 0.000) 5.708 33.112 ( -2.333 -0.000 0.000) 2.333 34.563 ( 2.062 0.000 -0.000) 2.062 34.689 ( -1.614 -0.000 0.000) 1.614 49.666 ( -0.422 -0.000 0.000) 0.422 50.921 ( 10.635 0.000 -0.000) 10.635 ======================= Grid point 294 (105/105) ======================= q-point: ( 0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.000 -0.000 -0.000) 0.000 2.256 ( 0.000 -0.000 -0.000) 0.000 3.162 ( 0.000 -0.000 -0.000) 0.000 5.401 ( 0.000 -0.000 -0.000) 0.000 6.869 ( 0.000 -0.000 -0.000) 0.000 7.245 ( 0.000 -0.000 -0.000) 0.000 7.840 ( 0.000 -0.000 -0.000) 0.000 8.174 ( 0.000 -0.000 -0.000) 0.000 8.211 ( 0.000 -0.000 -0.000) 0.000 9.489 ( 0.000 -0.000 -0.000) 0.000 10.289 ( 0.000 -0.000 -0.000) 0.000 10.634 ( 0.000 -0.000 -0.000) 0.000 11.071 ( 0.000 -0.000 -0.000) 0.000 11.073 ( 0.000 -0.000 -0.000) 0.000 11.485 ( -0.000 0.000 0.000) 0.000 12.475 ( 0.000 -0.000 -0.000) 0.000 12.608 ( 0.000 -0.000 -0.000) 0.000 12.910 ( -0.000 0.000 0.000) 0.000 12.953 ( 0.000 -0.000 -0.000) 0.000 13.019 ( 0.000 -0.000 -0.000) 0.000 13.549 ( -0.000 0.000 0.000) 0.000 13.903 ( 0.000 -0.000 -0.000) 0.000 14.120 ( -0.000 0.000 0.000) 0.000 14.588 ( -0.000 0.000 0.000) 0.000 15.351 ( 0.000 -0.000 -0.000) 0.000 15.815 ( 0.000 -0.000 -0.000) 0.000 16.869 ( 0.000 -0.000 -0.000) 0.000 16.886 ( 0.000 -0.000 -0.000) 0.000 17.002 ( 0.000 -0.000 -0.000) 0.000 17.028 ( 0.000 -0.000 -0.000) 0.000 17.757 ( 0.000 -0.000 -0.000) 0.000 17.771 ( 0.000 -0.000 -0.000) 0.000 17.815 ( 0.000 -0.000 -0.000) 0.000 17.871 ( -0.000 0.000 0.000) 0.000 18.188 ( 0.000 -0.000 -0.000) 0.000 18.370 ( 0.000 -0.000 -0.000) 0.000 18.432 ( -0.000 0.000 0.000) 0.000 18.434 ( 0.000 -0.000 -0.000) 0.000 18.727 ( 0.000 -0.000 -0.000) 0.000 19.292 ( 0.000 -0.000 -0.000) 0.000 19.452 ( 0.000 -0.000 -0.000) 0.000 19.564 ( 0.000 -0.000 -0.000) 0.000 20.115 ( 0.000 -0.000 -0.000) 0.000 20.191 ( 0.000 -0.000 -0.000) 0.000 20.468 ( -0.000 0.000 0.000) 0.000 20.593 ( 0.000 -0.000 -0.000) 0.000 20.653 ( 0.000 -0.000 -0.000) 0.000 20.711 ( 0.000 -0.000 -0.000) 0.000 21.082 ( 0.000 -0.000 -0.000) 0.000 21.432 ( 0.000 -0.000 -0.000) 0.000 21.685 ( 0.000 -0.000 -0.000) 0.000 21.749 ( -0.000 0.000 0.000) 0.000 22.308 ( 0.000 -0.000 -0.000) 0.000 22.544 ( 0.000 -0.000 -0.000) 0.000 22.636 ( 0.000 -0.000 -0.000) 0.000 22.724 ( 0.000 -0.000 -0.000) 0.000 22.900 ( 0.000 -0.000 -0.000) 0.000 22.913 ( 0.000 -0.000 -0.000) 0.000 23.017 ( 0.000 -0.000 -0.000) 0.000 23.499 ( 0.000 -0.000 -0.000) 0.000 23.501 ( 0.000 -0.000 -0.000) 0.000 23.634 ( 0.000 -0.000 -0.000) 0.000 23.780 ( 0.000 -0.000 -0.000) 0.000 23.862 ( 0.000 -0.000 -0.000) 0.000 24.310 ( 0.000 -0.000 -0.000) 0.000 24.717 ( 0.000 -0.000 -0.000) 0.000 25.201 ( 0.000 -0.000 -0.000) 0.000 25.301 ( 0.000 -0.000 -0.000) 0.000 25.351 ( 0.000 -0.000 -0.000) 0.000 25.508 ( 0.000 -0.000 -0.000) 0.000 25.641 ( 0.000 -0.000 -0.000) 0.000 25.989 ( 0.000 -0.000 -0.000) 0.000 26.536 ( 0.000 -0.000 -0.000) 0.000 26.564 ( 0.000 -0.000 -0.000) 0.000 28.244 ( 0.000 -0.000 -0.000) 0.000 28.452 ( 0.000 -0.000 -0.000) 0.000 28.660 ( 0.000 -0.000 -0.000) 0.000 29.010 ( 0.000 -0.000 -0.000) 0.000 29.113 ( -0.000 0.000 0.000) 0.000 29.408 ( 0.000 -0.000 -0.000) 0.000 29.629 ( 0.000 -0.000 -0.000) 0.000 29.788 ( 0.000 -0.000 -0.000) 0.000 30.521 ( 0.000 -0.000 -0.000) 0.000 30.557 ( 0.000 -0.000 -0.000) 0.000 30.709 ( 0.000 -0.000 -0.000) 0.000 30.909 ( 0.000 -0.000 -0.000) 0.000 31.016 ( -0.000 0.000 0.000) 0.000 31.393 ( 0.000 -0.000 -0.000) 0.000 31.556 ( 0.000 -0.000 -0.000) 0.000 31.592 ( 0.000 -0.000 -0.000) 0.000 32.100 ( 0.000 -0.000 -0.000) 0.000 33.087 ( 0.000 -0.000 -0.000) 0.000 34.585 ( 0.000 -0.000 -0.000) 0.000 34.672 ( 0.000 -0.000 -0.000) 0.000 49.662 ( 0.000 -0.000 -0.000) 0.000 51.029 ( 0.000 -0.000 -0.000) 0.000 =================== 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 3/51840 10.0 1288.437 6040.903 433.021 0.000 0.000 -0.000 3/51840 20.0 701.435 571.718 277.755 0.000 0.000 -0.000 3/51840 30.0 443.862 220.451 185.057 -0.000 0.000 -0.000 3/51840 40.0 235.459 132.871 137.970 -0.000 0.000 -0.000 3/51840 50.0 142.101 86.426 102.159 -0.000 0.000 -0.000 3/51840 60.0 99.543 61.741 79.126 -0.000 0.000 -0.000 3/51840 70.0 76.871 47.665 64.506 -0.000 0.000 -0.000 3/51840 80.0 63.123 38.896 54.733 -0.000 0.000 -0.000 3/51840 90.0 53.957 33.007 47.790 -0.000 0.000 -0.000 3/51840 100.0 47.407 28.819 42.584 -0.000 0.000 -0.000 3/51840 110.0 42.476 25.708 38.506 -0.000 0.000 -0.000 3/51840 120.0 38.614 23.318 35.202 -0.000 0.000 -0.000 3/51840 130.0 35.493 21.430 32.452 -0.000 0.000 -0.000 3/51840 140.0 32.906 19.904 30.118 -0.000 0.000 -0.000 3/51840 150.0 30.719 18.644 28.103 -0.000 0.000 -0.000 3/51840 160.0 28.837 17.585 26.343 -0.000 0.000 -0.000 3/51840 170.0 27.196 16.679 24.789 -0.000 0.000 -0.000 3/51840 180.0 25.748 15.893 23.407 -0.000 0.000 -0.000 3/51840 190.0 24.458 15.202 22.169 -0.000 0.000 -0.000 3/51840 200.0 23.299 14.587 21.053 -0.000 0.000 -0.000 3/51840 210.0 22.251 14.034 20.042 -0.000 0.000 -0.000 3/51840 220.0 21.296 13.532 19.122 -0.000 0.000 -0.000 3/51840 230.0 20.423 13.073 18.282 -0.000 0.000 -0.000 3/51840 240.0 19.621 12.650 17.512 -0.000 0.000 -0.000 3/51840 250.0 18.881 12.259 16.803 -0.000 0.000 -0.000 3/51840 260.0 18.195 11.895 16.150 -0.000 0.000 -0.000 3/51840 270.0 17.559 11.555 15.545 -0.000 0.000 -0.000 3/51840 280.0 16.966 11.235 14.984 -0.000 0.000 -0.000 3/51840 290.0 16.413 10.935 14.463 -0.000 0.000 -0.000 3/51840 300.0 15.895 10.651 13.976 -0.000 0.000 -0.000 3/51840 310.0 15.409 10.383 13.522 -0.000 0.000 -0.000 3/51840 320.0 14.952 10.128 13.097 -0.000 0.000 -0.000 3/51840 330.0 14.522 9.886 12.698 -0.000 0.000 -0.000 3/51840 340.0 14.116 9.656 12.323 -0.000 0.000 -0.000 3/51840 350.0 13.733 9.437 11.970 -0.000 0.000 -0.000 3/51840 360.0 13.370 9.228 11.637 -0.000 0.000 -0.000 3/51840 370.0 13.027 9.027 11.323 -0.000 0.000 -0.000 3/51840 380.0 12.701 8.836 11.025 -0.000 0.000 -0.000 3/51840 390.0 12.391 8.652 10.744 -0.000 0.000 -0.000 3/51840 400.0 12.096 8.477 10.476 -0.000 0.000 -0.000 3/51840 410.0 11.815 8.308 10.222 -0.000 0.000 -0.000 3/51840 420.0 11.547 8.145 9.980 -0.000 0.000 -0.000 3/51840 430.0 11.291 7.989 9.750 -0.000 0.000 -0.000 3/51840 440.0 11.046 7.839 9.531 -0.000 0.000 -0.000 3/51840 450.0 10.812 7.695 9.321 -0.000 0.000 -0.000 3/51840 460.0 10.588 7.555 9.121 -0.000 0.000 -0.000 3/51840 470.0 10.373 7.421 8.929 -0.000 0.000 -0.000 3/51840 480.0 10.167 7.291 8.746 -0.000 0.000 -0.000 3/51840 490.0 9.969 7.166 8.570 -0.000 0.000 -0.000 3/51840 500.0 9.779 7.045 8.401 -0.000 0.000 -0.000 3/51840 510.0 9.596 6.928 8.240 -0.000 0.000 -0.000 3/51840 520.0 9.420 6.815 8.084 -0.000 0.000 -0.000 3/51840 530.0 9.251 6.705 7.934 -0.000 0.000 -0.000 3/51840 540.0 9.087 6.599 7.790 -0.000 0.000 -0.000 3/51840 550.0 8.930 6.496 7.651 -0.000 0.000 -0.000 3/51840 560.0 8.777 6.397 7.518 -0.000 0.000 -0.000 3/51840 570.0 8.631 6.300 7.389 -0.000 0.000 -0.000 3/51840 580.0 8.489 6.206 7.264 -0.000 0.000 -0.000 3/51840 590.0 8.351 6.115 7.144 -0.000 0.000 -0.000 3/51840 600.0 8.218 6.027 7.027 -0.000 0.000 -0.000 3/51840 610.0 8.090 5.941 6.915 -0.000 0.000 -0.000 3/51840 620.0 7.965 5.858 6.806 -0.000 0.000 -0.000 3/51840 630.0 7.845 5.776 6.701 -0.000 0.000 -0.000 3/51840 640.0 7.728 5.698 6.599 -0.000 0.000 -0.000 3/51840 650.0 7.614 5.621 6.500 -0.000 0.000 -0.000 3/51840 660.0 7.504 5.546 6.404 -0.000 0.000 -0.000 3/51840 670.0 7.397 5.473 6.311 -0.000 0.000 -0.000 3/51840 680.0 7.293 5.402 6.221 -0.000 0.000 -0.000 3/51840 690.0 7.192 5.333 6.133 -0.000 0.000 -0.000 3/51840 700.0 7.094 5.266 6.048 -0.000 0.000 -0.000 3/51840 710.0 6.998 5.200 5.965 -0.000 0.000 -0.000 3/51840 720.0 6.906 5.136 5.885 -0.000 0.000 -0.000 3/51840 730.0 6.815 5.074 5.807 -0.000 0.000 -0.000 3/51840 740.0 6.727 5.013 5.730 -0.000 0.000 -0.000 3/51840 750.0 6.641 4.953 5.656 -0.000 0.000 -0.000 3/51840 760.0 6.558 4.895 5.584 -0.000 0.000 -0.000 3/51840 770.0 6.477 4.838 5.514 -0.000 0.000 -0.000 3/51840 780.0 6.397 4.783 5.445 -0.000 0.000 -0.000 3/51840 790.0 6.320 4.729 5.378 -0.000 0.000 -0.000 3/51840 800.0 6.244 4.676 5.313 -0.000 0.000 -0.000 3/51840 810.0 6.170 4.624 5.250 -0.000 0.000 -0.000 3/51840 820.0 6.098 4.573 5.188 -0.000 0.000 -0.000 3/51840 830.0 6.028 4.524 5.127 -0.000 0.000 -0.000 3/51840 840.0 5.959 4.475 5.068 -0.000 0.000 -0.000 3/51840 850.0 5.892 4.428 5.010 -0.000 0.000 -0.000 3/51840 860.0 5.827 4.381 4.954 -0.000 0.000 -0.000 3/51840 870.0 5.763 4.336 4.899 -0.000 0.000 -0.000 3/51840 880.0 5.700 4.291 4.845 -0.000 0.000 -0.000 3/51840 890.0 5.639 4.247 4.792 -0.000 0.000 -0.000 3/51840 900.0 5.579 4.205 4.740 -0.000 0.000 -0.000 3/51840 910.0 5.520 4.163 4.690 -0.000 0.000 -0.000 3/51840 920.0 5.463 4.122 4.641 -0.000 0.000 -0.000 3/51840 930.0 5.406 4.081 4.592 -0.000 0.000 -0.000 3/51840 940.0 5.351 4.042 4.545 -0.000 0.000 -0.000 3/51840 950.0 5.297 4.003 4.499 -0.000 0.000 -0.000 3/51840 960.0 5.244 3.965 4.453 -0.000 0.000 -0.000 3/51840 970.0 5.192 3.928 4.409 -0.000 0.000 -0.000 3/51840 980.0 5.142 3.891 4.365 -0.000 0.000 -0.000 3/51840 990.0 5.092 3.855 4.323 -0.000 0.000 -0.000 3/51840 1000.0 5.043 3.820 4.281 -0.000 0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m13180.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:34:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|