----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:23:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.052847790585036 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -3.847309565069323 0.000000000000000 8.041762849805899 Atomic positions (fractional): *1 Sn 0.65880586235826 0.00837103088518 0.62992580811932 118.710 2 Sn 0.34119413764174 0.50837103088518 0.87007419188068 118.710 3 Sn 0.34119413764174 0.99162896911482 0.37007419188068 118.710 4 Sn 0.65880586235826 0.49162896911482 0.12992580811932 118.710 *5 Se 0.75877511640954 0.19244241806038 0.62227143790030 78.960 6 Se 0.24122488359046 0.69244241806038 0.87772856209970 78.960 7 Se 0.24122488359046 0.80755758193962 0.37772856209970 78.960 8 Se 0.75877511640954 0.30755758193962 0.12227143790030 78.960 *9 Se 0.64822675145706 0.97183842236724 0.90415135816214 78.960 10 Se 0.35177324854294 0.47183842236723 0.59584864183786 78.960 11 Se 0.35177324854294 0.02816157763277 0.09584864183786 78.960 12 Se 0.64822675145706 0.52816157763276 0.40415135816214 78.960 *13 Se 0.82942484557852 0.87009526168314 0.57297150795018 78.960 14 Se 0.17057515442148 0.37009526168314 0.92702849204982 78.960 15 Se 0.17057515442148 0.12990473831686 0.42702849204982 78.960 16 Se 0.82942484557852 0.62990473831686 0.07297150795018 78.960 *17 K 0.77636222119753 0.06737295647026 0.29066933787373 39.098 18 K 0.22363777880247 0.56737295647026 0.20933066212627 39.098 19 K 0.22363777880247 0.93262704352974 0.70933066212627 39.098 20 K 0.77636222119753 0.43262704352974 0.79066933787373 39.098 *21 K 0.00369852852968 0.16339957205641 0.01318354801992 39.098 22 K 0.99630147147032 0.66339957205641 0.48681645198008 39.098 23 K 0.99630147147032 0.83660042794359 0.98681645198008 39.098 24 K 0.00369852852968 0.33660042794359 0.51318354801992 39.098 *25 K 0.44488119795253 0.21454231215336 0.80529692029651 39.098 26 K 0.55511880204747 0.71454231215336 0.69470307970349 39.098 27 K 0.55511880204747 0.78545768784664 0.19470307970349 39.098 28 K 0.44488119795253 0.28545768784664 0.30529692029651 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.052847790585036 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -3.847309565069323 0.000000000000000 8.041762849805899 Atomic positions (fractional): *1 Sn 0.65880586235826 0.00837103088518 0.62992580811932 118.710 > 1 2 Sn 0.34119413764174 0.50837103088518 0.87007419188068 118.710 > 2 3 Sn 0.34119413764174 0.99162896911482 0.37007419188068 118.710 > 3 4 Sn 0.65880586235826 0.49162896911482 0.12992580811932 118.710 > 4 *5 Se 0.75877511640954 0.19244241806038 0.62227143790030 78.960 > 5 6 Se 0.24122488359046 0.69244241806038 0.87772856209970 78.960 > 6 7 Se 0.24122488359046 0.80755758193962 0.37772856209970 78.960 > 7 8 Se 0.75877511640954 0.30755758193962 0.12227143790030 78.960 > 8 *9 Se 0.64822675145706 0.97183842236724 0.90415135816214 78.960 > 9 10 Se 0.35177324854294 0.47183842236723 0.59584864183786 78.960 > 10 11 Se 0.35177324854294 0.02816157763277 0.09584864183786 78.960 > 11 12 Se 0.64822675145706 0.52816157763276 0.40415135816214 78.960 > 12 *13 Se 0.82942484557852 0.87009526168314 0.57297150795018 78.960 > 13 14 Se 0.17057515442148 0.37009526168314 0.92702849204982 78.960 > 14 15 Se 0.17057515442148 0.12990473831686 0.42702849204982 78.960 > 15 16 Se 0.82942484557852 0.62990473831686 0.07297150795018 78.960 > 16 *17 K 0.77636222119753 0.06737295647026 0.29066933787373 39.098 > 17 18 K 0.22363777880247 0.56737295647026 0.20933066212627 39.098 > 18 19 K 0.22363777880247 0.93262704352974 0.70933066212627 39.098 > 19 20 K 0.77636222119753 0.43262704352974 0.79066933787373 39.098 > 20 *21 K 0.00369852852968 0.16339957205641 0.01318354801992 39.098 > 21 22 K 0.99630147147032 0.66339957205641 0.48681645198008 39.098 > 22 23 K 0.99630147147032 0.83660042794359 0.98681645198008 39.098 > 23 24 K 0.00369852852968 0.33660042794359 0.51318354801992 39.098 > 24 *25 K 0.44488119795253 0.21454231215336 0.80529692029651 39.098 > 25 26 K 0.55511880204747 0.71454231215336 0.69470307970349 39.098 > 26 27 K 0.55511880204747 0.78545768784664 0.19470307970349 39.098 > 27 28 K 0.44488119795253 0.28545768784664 0.30529692029651 39.098 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.105695581170071 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -7.694619130138646 0.000000000000000 16.083525699611798 Atomic positions (fractional): *1 Sn 0.32940293117913 0.00837103088518 0.31496290405966 118.710 > 1 2 Sn 0.82940293117913 0.00837103088518 0.31496290405966 118.710 > 1 3 Sn 0.32940293117913 0.00837103088518 0.81496290405966 118.710 > 1 4 Sn 0.82940293117913 0.00837103088518 0.81496290405966 118.710 > 1 5 Sn 0.17059706882087 0.50837103088518 0.43503709594034 118.710 > 2 6 Sn 0.67059706882087 0.50837103088518 0.43503709594034 118.710 > 2 7 Sn 0.17059706882087 0.50837103088518 0.93503709594034 118.710 > 2 8 Sn 0.67059706882087 0.50837103088518 0.93503709594034 118.710 > 2 9 Sn 0.17059706882087 0.99162896911482 0.18503709594034 118.710 > 3 10 Sn 0.67059706882087 0.99162896911482 0.18503709594034 118.710 > 3 11 Sn 0.17059706882087 0.99162896911482 0.68503709594034 118.710 > 3 12 Sn 0.67059706882087 0.99162896911482 0.68503709594034 118.710 > 3 13 Sn 0.32940293117913 0.49162896911482 0.06496290405966 118.710 > 4 14 Sn 0.82940293117913 0.49162896911482 0.06496290405966 118.710 > 4 15 Sn 0.32940293117913 0.49162896911482 0.56496290405966 118.710 > 4 16 Sn 0.82940293117913 0.49162896911482 0.56496290405966 118.710 > 4 *17 Se 0.37938755820477 0.19244241806038 0.31113571895015 78.960 > 5 18 Se 0.87938755820477 0.19244241806038 0.31113571895015 78.960 > 5 19 Se 0.37938755820477 0.19244241806038 0.81113571895015 78.960 > 5 20 Se 0.87938755820477 0.19244241806038 0.81113571895015 78.960 > 5 21 Se 0.12061244179523 0.69244241806038 0.43886428104985 78.960 > 6 22 Se 0.62061244179523 0.69244241806038 0.43886428104985 78.960 > 6 23 Se 0.12061244179523 0.69244241806038 0.93886428104985 78.960 > 6 24 Se 0.62061244179523 0.69244241806038 0.93886428104985 78.960 > 6 25 Se 0.12061244179523 0.80755758193962 0.18886428104985 78.960 > 7 26 Se 0.62061244179523 0.80755758193962 0.18886428104985 78.960 > 7 27 Se 0.12061244179523 0.80755758193962 0.68886428104985 78.960 > 7 28 Se 0.62061244179523 0.80755758193962 0.68886428104985 78.960 > 7 29 Se 0.37938755820477 0.30755758193962 0.06113571895015 78.960 > 8 30 Se 0.87938755820477 0.30755758193962 0.06113571895015 78.960 > 8 31 Se 0.37938755820477 0.30755758193962 0.56113571895015 78.960 > 8 32 Se 0.87938755820477 0.30755758193962 0.56113571895015 78.960 > 8 *33 Se 0.32411337572853 0.97183842236724 0.45207567908107 78.960 > 9 34 Se 0.82411337572853 0.97183842236724 0.45207567908107 78.960 > 9 35 Se 0.32411337572853 0.97183842236724 0.95207567908107 78.960 > 9 36 Se 0.82411337572853 0.97183842236724 0.95207567908107 78.960 > 9 37 Se 0.17588662427147 0.47183842236723 0.29792432091893 78.960 > 10 38 Se 0.67588662427147 0.47183842236723 0.29792432091893 78.960 > 10 39 Se 0.17588662427147 0.47183842236723 0.79792432091893 78.960 > 10 40 Se 0.67588662427147 0.47183842236723 0.79792432091893 78.960 > 10 41 Se 0.17588662427147 0.02816157763277 0.04792432091893 78.960 > 11 42 Se 0.67588662427147 0.02816157763277 0.04792432091893 78.960 > 11 43 Se 0.17588662427147 0.02816157763277 0.54792432091893 78.960 > 11 44 Se 0.67588662427147 0.02816157763277 0.54792432091893 78.960 > 11 45 Se 0.32411337572853 0.52816157763276 0.20207567908107 78.960 > 12 46 Se 0.82411337572853 0.52816157763276 0.20207567908107 78.960 > 12 47 Se 0.32411337572853 0.52816157763276 0.70207567908107 78.960 > 12 48 Se 0.82411337572853 0.52816157763276 0.70207567908107 78.960 > 12 *49 Se 0.41471242278926 0.87009526168314 0.28648575397509 78.960 > 13 50 Se 0.91471242278926 0.87009526168314 0.28648575397509 78.960 > 13 51 Se 0.41471242278926 0.87009526168314 0.78648575397509 78.960 > 13 52 Se 0.91471242278926 0.87009526168314 0.78648575397509 78.960 > 13 53 Se 0.08528757721074 0.37009526168314 0.46351424602491 78.960 > 14 54 Se 0.58528757721074 0.37009526168314 0.46351424602491 78.960 > 14 55 Se 0.08528757721074 0.37009526168314 0.96351424602491 78.960 > 14 56 Se 0.58528757721074 0.37009526168314 0.96351424602491 78.960 > 14 57 Se 0.08528757721074 0.12990473831686 0.21351424602491 78.960 > 15 58 Se 0.58528757721074 0.12990473831686 0.21351424602491 78.960 > 15 59 Se 0.08528757721074 0.12990473831686 0.71351424602491 78.960 > 15 60 Se 0.58528757721074 0.12990473831686 0.71351424602491 78.960 > 15 61 Se 0.41471242278926 0.62990473831686 0.03648575397509 78.960 > 16 62 Se 0.91471242278926 0.62990473831686 0.03648575397509 78.960 > 16 63 Se 0.41471242278926 0.62990473831686 0.53648575397509 78.960 > 16 64 Se 0.91471242278926 0.62990473831686 0.53648575397509 78.960 > 16 *65 K 0.38818111059877 0.06737295647026 0.14533466893686 39.098 > 17 66 K 0.88818111059877 0.06737295647026 0.14533466893686 39.098 > 17 67 K 0.38818111059877 0.06737295647026 0.64533466893686 39.098 > 17 68 K 0.88818111059877 0.06737295647026 0.64533466893686 39.098 > 17 69 K 0.11181888940123 0.56737295647026 0.10466533106314 39.098 > 18 70 K 0.61181888940123 0.56737295647026 0.10466533106314 39.098 > 18 71 K 0.11181888940123 0.56737295647026 0.60466533106314 39.098 > 18 72 K 0.61181888940123 0.56737295647026 0.60466533106314 39.098 > 18 73 K 0.11181888940123 0.93262704352974 0.35466533106314 39.098 > 19 74 K 0.61181888940123 0.93262704352974 0.35466533106314 39.098 > 19 75 K 0.11181888940123 0.93262704352974 0.85466533106314 39.098 > 19 76 K 0.61181888940123 0.93262704352974 0.85466533106314 39.098 > 19 77 K 0.38818111059877 0.43262704352974 0.39533466893686 39.098 > 20 78 K 0.88818111059877 0.43262704352974 0.39533466893686 39.098 > 20 79 K 0.38818111059877 0.43262704352974 0.89533466893686 39.098 > 20 80 K 0.88818111059877 0.43262704352974 0.89533466893686 39.098 > 20 *81 K 0.00184926426484 0.16339957205641 0.00659177400996 39.098 > 21 82 K 0.50184926426484 0.16339957205641 0.00659177400996 39.098 > 21 83 K 0.00184926426484 0.16339957205641 0.50659177400996 39.098 > 21 84 K 0.50184926426484 0.16339957205641 0.50659177400996 39.098 > 21 85 K 0.49815073573516 0.66339957205641 0.24340822599004 39.098 > 22 86 K 0.99815073573516 0.66339957205641 0.24340822599004 39.098 > 22 87 K 0.49815073573516 0.66339957205641 0.74340822599004 39.098 > 22 88 K 0.99815073573516 0.66339957205641 0.74340822599004 39.098 > 22 89 K 0.49815073573516 0.83660042794359 0.49340822599004 39.098 > 23 90 K 0.99815073573516 0.83660042794359 0.49340822599004 39.098 > 23 91 K 0.49815073573516 0.83660042794359 0.99340822599004 39.098 > 23 92 K 0.99815073573516 0.83660042794359 0.99340822599004 39.098 > 23 93 K 0.00184926426484 0.33660042794359 0.25659177400996 39.098 > 24 94 K 0.50184926426484 0.33660042794359 0.25659177400996 39.098 > 24 95 K 0.00184926426484 0.33660042794359 0.75659177400996 39.098 > 24 96 K 0.50184926426484 0.33660042794359 0.75659177400996 39.098 > 24 *97 K 0.22244059897626 0.21454231215336 0.40264846014826 39.098 > 25 98 K 0.72244059897626 0.21454231215336 0.40264846014826 39.098 > 25 99 K 0.22244059897626 0.21454231215336 0.90264846014826 39.098 > 25 100 K 0.72244059897626 0.21454231215336 0.90264846014826 39.098 > 25 101 K 0.27755940102374 0.71454231215336 0.34735153985174 39.098 > 26 102 K 0.77755940102374 0.71454231215336 0.34735153985174 39.098 > 26 103 K 0.27755940102374 0.71454231215336 0.84735153985174 39.098 > 26 104 K 0.77755940102374 0.71454231215336 0.84735153985174 39.098 > 26 105 K 0.27755940102374 0.78545768784664 0.09735153985174 39.098 > 27 106 K 0.77755940102374 0.78545768784664 0.09735153985174 39.098 > 27 107 K 0.27755940102374 0.78545768784664 0.59735153985174 39.098 > 27 108 K 0.77755940102374 0.78545768784664 0.59735153985174 39.098 > 27 109 K 0.22244059897626 0.28545768784664 0.15264846014826 39.098 > 28 110 K 0.72244059897626 0.28545768784664 0.15264846014826 39.098 > 28 111 K 0.22244059897626 0.28545768784664 0.65264846014826 39.098 > 28 112 K 0.72244059897626 0.28545768784664 0.65264846014826 39.098 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7172216 0.0000000 0.0031024 0.0000000 4.6235094 0.0000000 0.0031033 0.0000000 4.6378106 -------------------------- Born effective charges -------------------------- 1 Sn 1.8798427 0.0441994 -0.4578296 -0.0596175 2.3312999 0.0381325 -0.1872710 -0.0803129 2.0471538 2 Sn 1.8798427 -0.0441994 -0.4578296 0.0596175 2.3312999 -0.0381325 -0.1872710 0.0803129 2.0471538 3 Sn 1.8798427 0.0441994 -0.4578296 -0.0596175 2.3312999 0.0381325 -0.1872710 -0.0803129 2.0471538 4 Sn 1.8798427 -0.0441994 -0.4578296 0.0596175 2.3312999 -0.0381325 -0.1872710 0.0803129 2.0471538 5 Se -1.6691918 -0.8826770 0.0379071 -0.5250993 -2.5744616 -0.0752068 -0.0710927 -0.2659439 -1.4559120 6 Se -1.6691918 0.8826770 0.0379071 0.5250993 -2.5744616 0.0752068 -0.0710927 0.2659439 -1.4559120 7 Se -1.6691918 -0.8826770 0.0379071 -0.5250993 -2.5744616 -0.0752068 -0.0710927 -0.2659439 -1.4559120 8 Se -1.6691918 0.8826770 0.0379071 0.5250993 -2.5744616 0.0752068 -0.0710927 0.2659439 -1.4559120 9 Se -1.4342712 -0.1408938 0.2695698 -0.1412781 -1.4563961 0.1208280 0.3644912 0.2290557 -2.7055442 10 Se -1.4342712 0.1408938 0.2695698 0.1412781 -1.4563961 -0.1208280 0.3644912 -0.2290557 -2.7055442 11 Se -1.4342712 -0.1408938 0.2695698 -0.1412781 -1.4563961 0.1208280 0.3644912 0.2290557 -2.7055442 12 Se -1.4342712 0.1408938 0.2695698 0.1412781 -1.4563961 -0.1208280 0.3644912 -0.2290557 -2.7055442 13 Se -2.3533960 0.9047261 0.1492139 0.7645174 -1.9316202 -0.1386581 -0.1110100 -0.0230882 -1.5400568 14 Se -2.3533960 -0.9047261 0.1492139 -0.7645174 -1.9316202 0.1386581 -0.1110100 0.0230882 -1.5400568 15 Se -2.3533960 0.9047261 0.1492139 0.7645174 -1.9316202 -0.1386581 -0.1110100 -0.0230882 -1.5400568 16 Se -2.3533960 -0.9047261 0.1492139 -0.7645174 -1.9316202 0.1386581 -0.1110100 0.0230882 -1.5400568 17 K 1.3177519 0.0746032 -0.0616872 0.1061020 1.0374853 -0.1922816 -0.1306857 0.0023526 1.3091753 18 K 1.3177519 -0.0746032 -0.0616872 -0.1061020 1.0374853 0.1922816 -0.1306857 -0.0023526 1.3091753 19 K 1.3177519 0.0746032 -0.0616872 0.1061020 1.0374853 -0.1922816 -0.1306857 0.0023526 1.3091753 20 K 1.3177519 -0.0746032 -0.0616872 -0.1061020 1.0374853 0.1922816 -0.1306857 -0.0023526 1.3091753 21 K 1.3462643 0.0865881 0.2282246 -0.0779673 1.2183568 -0.0026808 0.2916611 -0.0834280 1.1954183 22 K 1.3462643 -0.0865881 0.2282246 0.0779673 1.2183568 0.0026808 0.2916611 0.0834280 1.1954183 23 K 1.3462643 0.0865881 0.2282246 -0.0779673 1.2183568 -0.0026808 0.2916611 -0.0834280 1.1954183 24 K 1.3462643 -0.0865881 0.2282246 0.0779673 1.2183568 0.0026808 0.2916611 0.0834280 1.1954183 25 K 0.9130001 -0.1326172 -0.1653986 -0.0933231 1.3753360 0.2467729 -0.1560929 0.1065336 1.1497656 26 K 0.9130001 0.1326172 -0.1653986 0.0933231 1.3753360 -0.2467729 -0.1560929 -0.1065336 1.1497656 27 K 0.9130001 -0.1326172 -0.1653986 -0.0933231 1.3753360 0.2467729 -0.1560929 0.1065336 1.1497656 28 K 0.9130001 0.1326172 -0.1653986 0.0933231 1.3753360 -0.2467729 -0.1560929 -0.1065336 1.1497656 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.014 Solver_block: 100 / 880 - Time: 1.967 Solver_block: 200 / 880 - Time: 1.151 Solver_block: 300 / 880 - Time: 1.845 Solver_block: 400 / 880 - Time: 0.960 Solver_block: 500 / 880 - Time: 1.223 Solver_block: 600 / 880 - Time: 1.468 Solver_block: 700 / 880 - Time: 1.886 Solver_block: 800 / 880 - Time: 2.292 Solver_block: 880 / 880 - Time: 1.758 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.429 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 10:24:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:24:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.052847790585036 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -3.847309565069323 0.000000000000000 8.041762849805899 Atomic positions (fractional): 1 Sn 0.65880586235826 0.00837103088518 0.62992580811932 118.710 2 Sn 0.34119413764174 0.50837103088518 0.87007419188068 118.710 3 Sn 0.34119413764174 0.99162896911482 0.37007419188068 118.710 4 Sn 0.65880586235826 0.49162896911482 0.12992580811932 118.710 5 Se 0.75877511640954 0.19244241806038 0.62227143790030 78.960 6 Se 0.24122488359046 0.69244241806038 0.87772856209970 78.960 7 Se 0.24122488359046 0.80755758193962 0.37772856209970 78.960 8 Se 0.75877511640954 0.30755758193962 0.12227143790030 78.960 9 Se 0.64822675145706 0.97183842236724 0.90415135816214 78.960 10 Se 0.35177324854294 0.47183842236723 0.59584864183786 78.960 11 Se 0.35177324854294 0.02816157763277 0.09584864183786 78.960 12 Se 0.64822675145706 0.52816157763276 0.40415135816214 78.960 13 Se 0.82942484557852 0.87009526168314 0.57297150795018 78.960 14 Se 0.17057515442148 0.37009526168314 0.92702849204982 78.960 15 Se 0.17057515442148 0.12990473831686 0.42702849204982 78.960 16 Se 0.82942484557852 0.62990473831686 0.07297150795018 78.960 17 K 0.77636222119753 0.06737295647026 0.29066933787373 39.098 18 K 0.22363777880247 0.56737295647026 0.20933066212627 39.098 19 K 0.22363777880247 0.93262704352974 0.70933066212627 39.098 20 K 0.77636222119753 0.43262704352974 0.79066933787373 39.098 21 K 0.00369852852968 0.16339957205641 0.01318354801992 39.098 22 K 0.99630147147032 0.66339957205641 0.48681645198008 39.098 23 K 0.99630147147032 0.83660042794359 0.98681645198008 39.098 24 K 0.00369852852968 0.33660042794359 0.51318354801992 39.098 25 K 0.44488119795253 0.21454231215336 0.80529692029651 39.098 26 K 0.55511880204747 0.71454231215336 0.69470307970349 39.098 27 K 0.55511880204747 0.78545768784664 0.19470307970349 39.098 28 K 0.44488119795253 0.28545768784664 0.30529692029651 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.105695581170071 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -7.694619130138646 0.000000000000000 16.083525699611798 Atomic positions (fractional): 1 Sn 0.32940293117913 0.00837103088518 0.31496290405966 118.710 > 1 2 Sn 0.82940293117913 0.00837103088518 0.31496290405966 118.710 > 1 3 Sn 0.32940293117913 0.00837103088518 0.81496290405966 118.710 > 1 4 Sn 0.82940293117913 0.00837103088518 0.81496290405966 118.710 > 1 5 Sn 0.17059706882087 0.50837103088518 0.43503709594034 118.710 > 5 6 Sn 0.67059706882087 0.50837103088518 0.43503709594034 118.710 > 5 7 Sn 0.17059706882087 0.50837103088518 0.93503709594034 118.710 > 5 8 Sn 0.67059706882087 0.50837103088518 0.93503709594034 118.710 > 5 9 Sn 0.17059706882087 0.99162896911482 0.18503709594034 118.710 > 9 10 Sn 0.67059706882087 0.99162896911482 0.18503709594034 118.710 > 9 11 Sn 0.17059706882087 0.99162896911482 0.68503709594034 118.710 > 9 12 Sn 0.67059706882087 0.99162896911482 0.68503709594034 118.710 > 9 13 Sn 0.32940293117913 0.49162896911482 0.06496290405966 118.710 > 13 14 Sn 0.82940293117913 0.49162896911482 0.06496290405966 118.710 > 13 15 Sn 0.32940293117913 0.49162896911482 0.56496290405966 118.710 > 13 16 Sn 0.82940293117913 0.49162896911482 0.56496290405966 118.710 > 13 17 Se 0.37938755820477 0.19244241806038 0.31113571895015 78.960 > 17 18 Se 0.87938755820477 0.19244241806038 0.31113571895015 78.960 > 17 19 Se 0.37938755820477 0.19244241806038 0.81113571895015 78.960 > 17 20 Se 0.87938755820477 0.19244241806038 0.81113571895015 78.960 > 17 21 Se 0.12061244179523 0.69244241806038 0.43886428104985 78.960 > 21 22 Se 0.62061244179523 0.69244241806038 0.43886428104985 78.960 > 21 23 Se 0.12061244179523 0.69244241806038 0.93886428104985 78.960 > 21 24 Se 0.62061244179523 0.69244241806038 0.93886428104985 78.960 > 21 25 Se 0.12061244179523 0.80755758193962 0.18886428104985 78.960 > 25 26 Se 0.62061244179523 0.80755758193962 0.18886428104985 78.960 > 25 27 Se 0.12061244179523 0.80755758193962 0.68886428104985 78.960 > 25 28 Se 0.62061244179523 0.80755758193962 0.68886428104985 78.960 > 25 29 Se 0.37938755820477 0.30755758193962 0.06113571895015 78.960 > 29 30 Se 0.87938755820477 0.30755758193962 0.06113571895015 78.960 > 29 31 Se 0.37938755820477 0.30755758193962 0.56113571895015 78.960 > 29 32 Se 0.87938755820477 0.30755758193962 0.56113571895015 78.960 > 29 33 Se 0.32411337572853 0.97183842236724 0.45207567908107 78.960 > 33 34 Se 0.82411337572853 0.97183842236724 0.45207567908107 78.960 > 33 35 Se 0.32411337572853 0.97183842236724 0.95207567908107 78.960 > 33 36 Se 0.82411337572853 0.97183842236724 0.95207567908107 78.960 > 33 37 Se 0.17588662427147 0.47183842236723 0.29792432091893 78.960 > 37 38 Se 0.67588662427147 0.47183842236723 0.29792432091893 78.960 > 37 39 Se 0.17588662427147 0.47183842236723 0.79792432091893 78.960 > 37 40 Se 0.67588662427147 0.47183842236723 0.79792432091893 78.960 > 37 41 Se 0.17588662427147 0.02816157763277 0.04792432091893 78.960 > 41 42 Se 0.67588662427147 0.02816157763277 0.04792432091893 78.960 > 41 43 Se 0.17588662427147 0.02816157763277 0.54792432091893 78.960 > 41 44 Se 0.67588662427147 0.02816157763277 0.54792432091893 78.960 > 41 45 Se 0.32411337572853 0.52816157763276 0.20207567908107 78.960 > 45 46 Se 0.82411337572853 0.52816157763276 0.20207567908107 78.960 > 45 47 Se 0.32411337572853 0.52816157763276 0.70207567908107 78.960 > 45 48 Se 0.82411337572853 0.52816157763276 0.70207567908107 78.960 > 45 49 Se 0.41471242278926 0.87009526168314 0.28648575397509 78.960 > 49 50 Se 0.91471242278926 0.87009526168314 0.28648575397509 78.960 > 49 51 Se 0.41471242278926 0.87009526168314 0.78648575397509 78.960 > 49 52 Se 0.91471242278926 0.87009526168314 0.78648575397509 78.960 > 49 53 Se 0.08528757721074 0.37009526168314 0.46351424602491 78.960 > 53 54 Se 0.58528757721074 0.37009526168314 0.46351424602491 78.960 > 53 55 Se 0.08528757721074 0.37009526168314 0.96351424602491 78.960 > 53 56 Se 0.58528757721074 0.37009526168314 0.96351424602491 78.960 > 53 57 Se 0.08528757721074 0.12990473831686 0.21351424602491 78.960 > 57 58 Se 0.58528757721074 0.12990473831686 0.21351424602491 78.960 > 57 59 Se 0.08528757721074 0.12990473831686 0.71351424602491 78.960 > 57 60 Se 0.58528757721074 0.12990473831686 0.71351424602491 78.960 > 57 61 Se 0.41471242278926 0.62990473831686 0.03648575397509 78.960 > 61 62 Se 0.91471242278926 0.62990473831686 0.03648575397509 78.960 > 61 63 Se 0.41471242278926 0.62990473831686 0.53648575397509 78.960 > 61 64 Se 0.91471242278926 0.62990473831686 0.53648575397509 78.960 > 61 65 K 0.38818111059877 0.06737295647026 0.14533466893686 39.098 > 65 66 K 0.88818111059877 0.06737295647026 0.14533466893686 39.098 > 65 67 K 0.38818111059877 0.06737295647026 0.64533466893686 39.098 > 65 68 K 0.88818111059877 0.06737295647026 0.64533466893686 39.098 > 65 69 K 0.11181888940123 0.56737295647026 0.10466533106314 39.098 > 69 70 K 0.61181888940123 0.56737295647026 0.10466533106314 39.098 > 69 71 K 0.11181888940123 0.56737295647026 0.60466533106314 39.098 > 69 72 K 0.61181888940123 0.56737295647026 0.60466533106314 39.098 > 69 73 K 0.11181888940123 0.93262704352974 0.35466533106314 39.098 > 73 74 K 0.61181888940123 0.93262704352974 0.35466533106314 39.098 > 73 75 K 0.11181888940123 0.93262704352974 0.85466533106314 39.098 > 73 76 K 0.61181888940123 0.93262704352974 0.85466533106314 39.098 > 73 77 K 0.38818111059877 0.43262704352974 0.39533466893686 39.098 > 77 78 K 0.88818111059877 0.43262704352974 0.39533466893686 39.098 > 77 79 K 0.38818111059877 0.43262704352974 0.89533466893686 39.098 > 77 80 K 0.88818111059877 0.43262704352974 0.89533466893686 39.098 > 77 81 K 0.00184926426484 0.16339957205641 0.00659177400996 39.098 > 81 82 K 0.50184926426484 0.16339957205641 0.00659177400996 39.098 > 81 83 K 0.00184926426484 0.16339957205641 0.50659177400996 39.098 > 81 84 K 0.50184926426484 0.16339957205641 0.50659177400996 39.098 > 81 85 K 0.49815073573516 0.66339957205641 0.24340822599004 39.098 > 85 86 K 0.99815073573516 0.66339957205641 0.24340822599004 39.098 > 85 87 K 0.49815073573516 0.66339957205641 0.74340822599004 39.098 > 85 88 K 0.99815073573516 0.66339957205641 0.74340822599004 39.098 > 85 89 K 0.49815073573516 0.83660042794359 0.49340822599004 39.098 > 89 90 K 0.99815073573516 0.83660042794359 0.49340822599004 39.098 > 89 91 K 0.49815073573516 0.83660042794359 0.99340822599004 39.098 > 89 92 K 0.99815073573516 0.83660042794359 0.99340822599004 39.098 > 89 93 K 0.00184926426484 0.33660042794359 0.25659177400996 39.098 > 93 94 K 0.50184926426484 0.33660042794359 0.25659177400996 39.098 > 93 95 K 0.00184926426484 0.33660042794359 0.75659177400996 39.098 > 93 96 K 0.50184926426484 0.33660042794359 0.75659177400996 39.098 > 93 97 K 0.22244059897626 0.21454231215336 0.40264846014826 39.098 > 97 98 K 0.72244059897626 0.21454231215336 0.40264846014826 39.098 > 97 99 K 0.22244059897626 0.21454231215336 0.90264846014826 39.098 > 97 100 K 0.72244059897626 0.21454231215336 0.90264846014826 39.098 > 97 101 K 0.27755940102374 0.71454231215336 0.34735153985174 39.098 > 101 102 K 0.77755940102374 0.71454231215336 0.34735153985174 39.098 > 101 103 K 0.27755940102374 0.71454231215336 0.84735153985174 39.098 > 101 104 K 0.77755940102374 0.71454231215336 0.84735153985174 39.098 > 101 105 K 0.27755940102374 0.78545768784664 0.09735153985174 39.098 > 105 106 K 0.77755940102374 0.78545768784664 0.09735153985174 39.098 > 105 107 K 0.27755940102374 0.78545768784664 0.59735153985174 39.098 > 105 108 K 0.77755940102374 0.78545768784664 0.59735153985174 39.098 > 105 109 K 0.22244059897626 0.28545768784664 0.15264846014826 39.098 > 109 110 K 0.72244059897626 0.28545768784664 0.15264846014826 39.098 > 109 111 K 0.22244059897626 0.28545768784664 0.65264846014826 39.098 > 109 112 K 0.72244059897626 0.28545768784664 0.65264846014826 39.098 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7172216 0.0000000 0.0031024 0.0000000 4.6235094 0.0000000 0.0031033 0.0000000 4.6378106 -------------------------- Born effective charges -------------------------- 1 Sn 1.8798427 0.0441994 -0.4578296 -0.0596175 2.3312999 0.0381325 -0.1872710 -0.0803129 2.0471538 2 Sn 1.8798427 -0.0441994 -0.4578296 0.0596175 2.3312999 -0.0381325 -0.1872710 0.0803129 2.0471538 3 Sn 1.8798427 0.0441994 -0.4578296 -0.0596175 2.3312999 0.0381325 -0.1872710 -0.0803129 2.0471538 4 Sn 1.8798427 -0.0441994 -0.4578296 0.0596175 2.3312999 -0.0381325 -0.1872710 0.0803129 2.0471538 5 Se -1.6691918 -0.8826770 0.0379071 -0.5250993 -2.5744616 -0.0752068 -0.0710927 -0.2659439 -1.4559120 6 Se -1.6691918 0.8826770 0.0379071 0.5250993 -2.5744616 0.0752068 -0.0710927 0.2659439 -1.4559120 7 Se -1.6691918 -0.8826770 0.0379071 -0.5250993 -2.5744616 -0.0752068 -0.0710927 -0.2659439 -1.4559120 8 Se -1.6691918 0.8826770 0.0379071 0.5250993 -2.5744616 0.0752068 -0.0710927 0.2659439 -1.4559120 9 Se -1.4342712 -0.1408938 0.2695698 -0.1412781 -1.4563961 0.1208280 0.3644912 0.2290557 -2.7055442 10 Se -1.4342712 0.1408938 0.2695698 0.1412781 -1.4563961 -0.1208280 0.3644912 -0.2290557 -2.7055442 11 Se -1.4342712 -0.1408938 0.2695698 -0.1412781 -1.4563961 0.1208280 0.3644912 0.2290557 -2.7055442 12 Se -1.4342712 0.1408938 0.2695698 0.1412781 -1.4563961 -0.1208280 0.3644912 -0.2290557 -2.7055442 13 Se -2.3533960 0.9047261 0.1492139 0.7645174 -1.9316202 -0.1386581 -0.1110100 -0.0230882 -1.5400568 14 Se -2.3533960 -0.9047261 0.1492139 -0.7645174 -1.9316202 0.1386581 -0.1110100 0.0230882 -1.5400568 15 Se -2.3533960 0.9047261 0.1492139 0.7645174 -1.9316202 -0.1386581 -0.1110100 -0.0230882 -1.5400568 16 Se -2.3533960 -0.9047261 0.1492139 -0.7645174 -1.9316202 0.1386581 -0.1110100 0.0230882 -1.5400568 17 K 1.3177519 0.0746032 -0.0616872 0.1061020 1.0374853 -0.1922816 -0.1306857 0.0023526 1.3091753 18 K 1.3177519 -0.0746032 -0.0616872 -0.1061020 1.0374853 0.1922816 -0.1306857 -0.0023526 1.3091753 19 K 1.3177519 0.0746032 -0.0616872 0.1061020 1.0374853 -0.1922816 -0.1306857 0.0023526 1.3091753 20 K 1.3177519 -0.0746032 -0.0616872 -0.1061020 1.0374853 0.1922816 -0.1306857 -0.0023526 1.3091753 21 K 1.3462643 0.0865881 0.2282246 -0.0779673 1.2183568 -0.0026808 0.2916611 -0.0834280 1.1954183 22 K 1.3462643 -0.0865881 0.2282246 0.0779673 1.2183568 0.0026808 0.2916611 0.0834280 1.1954183 23 K 1.3462643 0.0865881 0.2282246 -0.0779673 1.2183568 -0.0026808 0.2916611 -0.0834280 1.1954183 24 K 1.3462643 -0.0865881 0.2282246 0.0779673 1.2183568 0.0026808 0.2916611 0.0834280 1.1954183 25 K 0.9130001 -0.1326172 -0.1653986 -0.0933231 1.3753360 0.2467729 -0.1560929 0.1065336 1.1497656 26 K 0.9130001 0.1326172 -0.1653986 0.0933231 1.3753360 -0.2467729 -0.1560929 -0.1065336 1.1497656 27 K 0.9130001 -0.1326172 -0.1653986 -0.0933231 1.3753360 0.2467729 -0.1560929 0.1065336 1.1497656 28 K 0.9130001 0.1326172 -0.1653986 0.0933231 1.3753360 -0.2467729 -0.1560929 -0.1065336 1.1497656 ---------------------------------------------------------------------------- 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 10:25:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:25:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.052847790585036 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -3.847309565069323 0.000000000000000 8.041762849805899 Atomic positions (fractional): 1 Sn 0.65880586235826 0.00837103088518 0.62992580811932 118.710 2 Sn 0.34119413764174 0.50837103088518 0.87007419188068 118.710 3 Sn 0.34119413764174 0.99162896911482 0.37007419188068 118.710 4 Sn 0.65880586235826 0.49162896911482 0.12992580811932 118.710 5 Se 0.75877511640954 0.19244241806038 0.62227143790030 78.960 6 Se 0.24122488359046 0.69244241806038 0.87772856209970 78.960 7 Se 0.24122488359046 0.80755758193962 0.37772856209970 78.960 8 Se 0.75877511640954 0.30755758193962 0.12227143790030 78.960 9 Se 0.64822675145706 0.97183842236724 0.90415135816214 78.960 10 Se 0.35177324854294 0.47183842236723 0.59584864183786 78.960 11 Se 0.35177324854294 0.02816157763277 0.09584864183786 78.960 12 Se 0.64822675145706 0.52816157763276 0.40415135816214 78.960 13 Se 0.82942484557852 0.87009526168314 0.57297150795018 78.960 14 Se 0.17057515442148 0.37009526168314 0.92702849204982 78.960 15 Se 0.17057515442148 0.12990473831686 0.42702849204982 78.960 16 Se 0.82942484557852 0.62990473831686 0.07297150795018 78.960 17 K 0.77636222119753 0.06737295647026 0.29066933787373 39.098 18 K 0.22363777880247 0.56737295647026 0.20933066212627 39.098 19 K 0.22363777880247 0.93262704352974 0.70933066212627 39.098 20 K 0.77636222119753 0.43262704352974 0.79066933787373 39.098 21 K 0.00369852852968 0.16339957205641 0.01318354801992 39.098 22 K 0.99630147147032 0.66339957205641 0.48681645198008 39.098 23 K 0.99630147147032 0.83660042794359 0.98681645198008 39.098 24 K 0.00369852852968 0.33660042794359 0.51318354801992 39.098 25 K 0.44488119795253 0.21454231215336 0.80529692029651 39.098 26 K 0.55511880204747 0.71454231215336 0.69470307970349 39.098 27 K 0.55511880204747 0.78545768784664 0.19470307970349 39.098 28 K 0.44488119795253 0.28545768784664 0.30529692029651 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.105695581170071 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791306199999999 0.000000000000000 c -7.694619130138646 0.000000000000000 16.083525699611798 Atomic positions (fractional): 1 Sn 0.32940293117913 0.00837103088518 0.31496290405966 118.710 > 1 2 Sn 0.82940293117913 0.00837103088518 0.31496290405966 118.710 > 1 3 Sn 0.32940293117913 0.00837103088518 0.81496290405966 118.710 > 1 4 Sn 0.82940293117913 0.00837103088518 0.81496290405966 118.710 > 1 5 Sn 0.17059706882087 0.50837103088518 0.43503709594034 118.710 > 5 6 Sn 0.67059706882087 0.50837103088518 0.43503709594034 118.710 > 5 7 Sn 0.17059706882087 0.50837103088518 0.93503709594034 118.710 > 5 8 Sn 0.67059706882087 0.50837103088518 0.93503709594034 118.710 > 5 9 Sn 0.17059706882087 0.99162896911482 0.18503709594034 118.710 > 9 10 Sn 0.67059706882087 0.99162896911482 0.18503709594034 118.710 > 9 11 Sn 0.17059706882087 0.99162896911482 0.68503709594034 118.710 > 9 12 Sn 0.67059706882087 0.99162896911482 0.68503709594034 118.710 > 9 13 Sn 0.32940293117913 0.49162896911482 0.06496290405966 118.710 > 13 14 Sn 0.82940293117913 0.49162896911482 0.06496290405966 118.710 > 13 15 Sn 0.32940293117913 0.49162896911482 0.56496290405966 118.710 > 13 16 Sn 0.82940293117913 0.49162896911482 0.56496290405966 118.710 > 13 17 Se 0.37938755820477 0.19244241806038 0.31113571895015 78.960 > 17 18 Se 0.87938755820477 0.19244241806038 0.31113571895015 78.960 > 17 19 Se 0.37938755820477 0.19244241806038 0.81113571895015 78.960 > 17 20 Se 0.87938755820477 0.19244241806038 0.81113571895015 78.960 > 17 21 Se 0.12061244179523 0.69244241806038 0.43886428104985 78.960 > 21 22 Se 0.62061244179523 0.69244241806038 0.43886428104985 78.960 > 21 23 Se 0.12061244179523 0.69244241806038 0.93886428104985 78.960 > 21 24 Se 0.62061244179523 0.69244241806038 0.93886428104985 78.960 > 21 25 Se 0.12061244179523 0.80755758193962 0.18886428104985 78.960 > 25 26 Se 0.62061244179523 0.80755758193962 0.18886428104985 78.960 > 25 27 Se 0.12061244179523 0.80755758193962 0.68886428104985 78.960 > 25 28 Se 0.62061244179523 0.80755758193962 0.68886428104985 78.960 > 25 29 Se 0.37938755820477 0.30755758193962 0.06113571895015 78.960 > 29 30 Se 0.87938755820477 0.30755758193962 0.06113571895015 78.960 > 29 31 Se 0.37938755820477 0.30755758193962 0.56113571895015 78.960 > 29 32 Se 0.87938755820477 0.30755758193962 0.56113571895015 78.960 > 29 33 Se 0.32411337572853 0.97183842236724 0.45207567908107 78.960 > 33 34 Se 0.82411337572853 0.97183842236724 0.45207567908107 78.960 > 33 35 Se 0.32411337572853 0.97183842236724 0.95207567908107 78.960 > 33 36 Se 0.82411337572853 0.97183842236724 0.95207567908107 78.960 > 33 37 Se 0.17588662427147 0.47183842236723 0.29792432091893 78.960 > 37 38 Se 0.67588662427147 0.47183842236723 0.29792432091893 78.960 > 37 39 Se 0.17588662427147 0.47183842236723 0.79792432091893 78.960 > 37 40 Se 0.67588662427147 0.47183842236723 0.79792432091893 78.960 > 37 41 Se 0.17588662427147 0.02816157763277 0.04792432091893 78.960 > 41 42 Se 0.67588662427147 0.02816157763277 0.04792432091893 78.960 > 41 43 Se 0.17588662427147 0.02816157763277 0.54792432091893 78.960 > 41 44 Se 0.67588662427147 0.02816157763277 0.54792432091893 78.960 > 41 45 Se 0.32411337572853 0.52816157763276 0.20207567908107 78.960 > 45 46 Se 0.82411337572853 0.52816157763276 0.20207567908107 78.960 > 45 47 Se 0.32411337572853 0.52816157763276 0.70207567908107 78.960 > 45 48 Se 0.82411337572853 0.52816157763276 0.70207567908107 78.960 > 45 49 Se 0.41471242278926 0.87009526168314 0.28648575397509 78.960 > 49 50 Se 0.91471242278926 0.87009526168314 0.28648575397509 78.960 > 49 51 Se 0.41471242278926 0.87009526168314 0.78648575397509 78.960 > 49 52 Se 0.91471242278926 0.87009526168314 0.78648575397509 78.960 > 49 53 Se 0.08528757721074 0.37009526168314 0.46351424602491 78.960 > 53 54 Se 0.58528757721074 0.37009526168314 0.46351424602491 78.960 > 53 55 Se 0.08528757721074 0.37009526168314 0.96351424602491 78.960 > 53 56 Se 0.58528757721074 0.37009526168314 0.96351424602491 78.960 > 53 57 Se 0.08528757721074 0.12990473831686 0.21351424602491 78.960 > 57 58 Se 0.58528757721074 0.12990473831686 0.21351424602491 78.960 > 57 59 Se 0.08528757721074 0.12990473831686 0.71351424602491 78.960 > 57 60 Se 0.58528757721074 0.12990473831686 0.71351424602491 78.960 > 57 61 Se 0.41471242278926 0.62990473831686 0.03648575397509 78.960 > 61 62 Se 0.91471242278926 0.62990473831686 0.03648575397509 78.960 > 61 63 Se 0.41471242278926 0.62990473831686 0.53648575397509 78.960 > 61 64 Se 0.91471242278926 0.62990473831686 0.53648575397509 78.960 > 61 65 K 0.38818111059877 0.06737295647026 0.14533466893686 39.098 > 65 66 K 0.88818111059877 0.06737295647026 0.14533466893686 39.098 > 65 67 K 0.38818111059877 0.06737295647026 0.64533466893686 39.098 > 65 68 K 0.88818111059877 0.06737295647026 0.64533466893686 39.098 > 65 69 K 0.11181888940123 0.56737295647026 0.10466533106314 39.098 > 69 70 K 0.61181888940123 0.56737295647026 0.10466533106314 39.098 > 69 71 K 0.11181888940123 0.56737295647026 0.60466533106314 39.098 > 69 72 K 0.61181888940123 0.56737295647026 0.60466533106314 39.098 > 69 73 K 0.11181888940123 0.93262704352974 0.35466533106314 39.098 > 73 74 K 0.61181888940123 0.93262704352974 0.35466533106314 39.098 > 73 75 K 0.11181888940123 0.93262704352974 0.85466533106314 39.098 > 73 76 K 0.61181888940123 0.93262704352974 0.85466533106314 39.098 > 73 77 K 0.38818111059877 0.43262704352974 0.39533466893686 39.098 > 77 78 K 0.88818111059877 0.43262704352974 0.39533466893686 39.098 > 77 79 K 0.38818111059877 0.43262704352974 0.89533466893686 39.098 > 77 80 K 0.88818111059877 0.43262704352974 0.89533466893686 39.098 > 77 81 K 0.00184926426484 0.16339957205641 0.00659177400996 39.098 > 81 82 K 0.50184926426484 0.16339957205641 0.00659177400996 39.098 > 81 83 K 0.00184926426484 0.16339957205641 0.50659177400996 39.098 > 81 84 K 0.50184926426484 0.16339957205641 0.50659177400996 39.098 > 81 85 K 0.49815073573516 0.66339957205641 0.24340822599004 39.098 > 85 86 K 0.99815073573516 0.66339957205641 0.24340822599004 39.098 > 85 87 K 0.49815073573516 0.66339957205641 0.74340822599004 39.098 > 85 88 K 0.99815073573516 0.66339957205641 0.74340822599004 39.098 > 85 89 K 0.49815073573516 0.83660042794359 0.49340822599004 39.098 > 89 90 K 0.99815073573516 0.83660042794359 0.49340822599004 39.098 > 89 91 K 0.49815073573516 0.83660042794359 0.99340822599004 39.098 > 89 92 K 0.99815073573516 0.83660042794359 0.99340822599004 39.098 > 89 93 K 0.00184926426484 0.33660042794359 0.25659177400996 39.098 > 93 94 K 0.50184926426484 0.33660042794359 0.25659177400996 39.098 > 93 95 K 0.00184926426484 0.33660042794359 0.75659177400996 39.098 > 93 96 K 0.50184926426484 0.33660042794359 0.75659177400996 39.098 > 93 97 K 0.22244059897626 0.21454231215336 0.40264846014826 39.098 > 97 98 K 0.72244059897626 0.21454231215336 0.40264846014826 39.098 > 97 99 K 0.22244059897626 0.21454231215336 0.90264846014826 39.098 > 97 100 K 0.72244059897626 0.21454231215336 0.90264846014826 39.098 > 97 101 K 0.27755940102374 0.71454231215336 0.34735153985174 39.098 > 101 102 K 0.77755940102374 0.71454231215336 0.34735153985174 39.098 > 101 103 K 0.27755940102374 0.71454231215336 0.84735153985174 39.098 > 101 104 K 0.77755940102374 0.71454231215336 0.84735153985174 39.098 > 101 105 K 0.27755940102374 0.78545768784664 0.09735153985174 39.098 > 105 106 K 0.77755940102374 0.78545768784664 0.09735153985174 39.098 > 105 107 K 0.27755940102374 0.78545768784664 0.59735153985174 39.098 > 105 108 K 0.77755940102374 0.78545768784664 0.59735153985174 39.098 > 105 109 K 0.22244059897626 0.28545768784664 0.15264846014826 39.098 > 109 110 K 0.72244059897626 0.28545768784664 0.15264846014826 39.098 > 109 111 K 0.22244059897626 0.28545768784664 0.65264846014826 39.098 > 109 112 K 0.72244059897626 0.28545768784664 0.65264846014826 39.098 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7172216 0.0000000 0.0031024 0.0000000 4.6235094 0.0000000 0.0031033 0.0000000 4.6378106 -------------------------- Born effective charges -------------------------- 1 Sn 1.8798427 0.0441994 -0.4578296 -0.0596175 2.3312999 0.0381325 -0.1872710 -0.0803129 2.0471538 2 Sn 1.8798427 -0.0441994 -0.4578296 0.0596175 2.3312999 -0.0381325 -0.1872710 0.0803129 2.0471538 3 Sn 1.8798427 0.0441994 -0.4578296 -0.0596175 2.3312999 0.0381325 -0.1872710 -0.0803129 2.0471538 4 Sn 1.8798427 -0.0441994 -0.4578296 0.0596175 2.3312999 -0.0381325 -0.1872710 0.0803129 2.0471538 5 Se -1.6691918 -0.8826770 0.0379071 -0.5250993 -2.5744616 -0.0752068 -0.0710927 -0.2659439 -1.4559120 6 Se -1.6691918 0.8826770 0.0379071 0.5250993 -2.5744616 0.0752068 -0.0710927 0.2659439 -1.4559120 7 Se -1.6691918 -0.8826770 0.0379071 -0.5250993 -2.5744616 -0.0752068 -0.0710927 -0.2659439 -1.4559120 8 Se -1.6691918 0.8826770 0.0379071 0.5250993 -2.5744616 0.0752068 -0.0710927 0.2659439 -1.4559120 9 Se -1.4342712 -0.1408938 0.2695698 -0.1412781 -1.4563961 0.1208280 0.3644912 0.2290557 -2.7055442 10 Se -1.4342712 0.1408938 0.2695698 0.1412781 -1.4563961 -0.1208280 0.3644912 -0.2290557 -2.7055442 11 Se -1.4342712 -0.1408938 0.2695698 -0.1412781 -1.4563961 0.1208280 0.3644912 0.2290557 -2.7055442 12 Se -1.4342712 0.1408938 0.2695698 0.1412781 -1.4563961 -0.1208280 0.3644912 -0.2290557 -2.7055442 13 Se -2.3533960 0.9047261 0.1492139 0.7645174 -1.9316202 -0.1386581 -0.1110100 -0.0230882 -1.5400568 14 Se -2.3533960 -0.9047261 0.1492139 -0.7645174 -1.9316202 0.1386581 -0.1110100 0.0230882 -1.5400568 15 Se -2.3533960 0.9047261 0.1492139 0.7645174 -1.9316202 -0.1386581 -0.1110100 -0.0230882 -1.5400568 16 Se -2.3533960 -0.9047261 0.1492139 -0.7645174 -1.9316202 0.1386581 -0.1110100 0.0230882 -1.5400568 17 K 1.3177519 0.0746032 -0.0616872 0.1061020 1.0374853 -0.1922816 -0.1306857 0.0023526 1.3091753 18 K 1.3177519 -0.0746032 -0.0616872 -0.1061020 1.0374853 0.1922816 -0.1306857 -0.0023526 1.3091753 19 K 1.3177519 0.0746032 -0.0616872 0.1061020 1.0374853 -0.1922816 -0.1306857 0.0023526 1.3091753 20 K 1.3177519 -0.0746032 -0.0616872 -0.1061020 1.0374853 0.1922816 -0.1306857 -0.0023526 1.3091753 21 K 1.3462643 0.0865881 0.2282246 -0.0779673 1.2183568 -0.0026808 0.2916611 -0.0834280 1.1954183 22 K 1.3462643 -0.0865881 0.2282246 0.0779673 1.2183568 0.0026808 0.2916611 0.0834280 1.1954183 23 K 1.3462643 0.0865881 0.2282246 -0.0779673 1.2183568 -0.0026808 0.2916611 -0.0834280 1.1954183 24 K 1.3462643 -0.0865881 0.2282246 0.0779673 1.2183568 0.0026808 0.2916611 0.0834280 1.1954183 25 K 0.9130001 -0.1326172 -0.1653986 -0.0933231 1.3753360 0.2467729 -0.1560929 0.1065336 1.1497656 26 K 0.9130001 0.1326172 -0.1653986 0.0933231 1.3753360 -0.2467729 -0.1560929 -0.1065336 1.1497656 27 K 0.9130001 -0.1326172 -0.1653986 -0.0933231 1.3753360 0.2467729 -0.1560929 0.1065336 1.1497656 28 K 0.9130001 0.1326172 -0.1653986 0.0933231 1.3753360 -0.2467729 -0.1560929 -0.1065336 1.1497656 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 6 ] 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: 0.43, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.801 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.949 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.151 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 13.362 0.000 8.331) 15.746 0.359 ( 17.446 0.000 3.218) 17.740 0.639 ( 21.639 0.000 21.821) 30.732 0.798 ( -0.762 0.000 2.391) 2.509 0.899 ( -0.288 0.000 2.584) 2.600 0.994 ( 2.856 0.000 -10.663) 11.039 1.037 ( 3.765 0.000 -1.483) 4.046 1.074 ( 6.183 0.000 -1.288) 6.315 1.127 ( -0.414 0.000 1.556) 1.610 1.203 ( 2.407 0.000 4.811) 5.379 1.217 ( 2.884 0.000 2.297) 3.687 1.413 ( 1.560 0.000 -1.301) 2.032 1.452 ( -4.430 0.000 -3.733) 5.793 1.500 ( -0.803 0.000 0.177) 0.823 1.501 ( -3.100 0.000 -3.548) 4.712 1.569 ( 0.658 0.000 -0.629) 0.910 1.591 ( -5.904 0.000 -1.403) 6.069 1.660 ( -0.987 0.000 2.419) 2.612 1.708 ( -2.703 0.000 -7.124) 7.620 1.759 ( 2.003 0.000 3.020) 3.624 1.903 ( -2.418 0.000 2.121) 3.217 1.917 ( -3.993 0.000 0.147) 3.996 1.948 ( -3.112 0.000 1.484) 3.447 1.993 ( -0.299 0.000 -1.664) 1.690 2.037 ( 3.813 0.000 1.906) 4.263 2.110 ( -3.545 0.000 2.473) 4.323 2.111 ( -1.267 0.000 0.835) 1.518 2.181 ( 0.535 0.000 -0.667) 0.855 2.217 ( -1.422 0.000 -1.951) 2.414 2.233 ( -0.778 0.000 -6.376) 6.423 2.296 ( 2.022 0.000 0.895) 2.211 2.343 ( 1.542 0.000 -3.597) 3.914 2.366 ( -3.942 0.000 -6.520) 7.619 2.404 ( -3.214 0.000 3.373) 4.659 2.470 ( -1.302 0.000 -2.135) 2.501 2.503 ( -1.116 0.000 0.223) 1.138 2.529 ( -4.980 0.000 -5.302) 7.274 2.592 ( 2.576 0.000 -0.411) 2.608 2.595 ( -0.403 0.000 -4.701) 4.718 2.696 ( 1.294 0.000 -0.366) 1.345 2.699 ( 1.392 0.000 0.713) 1.564 2.733 ( 3.322 0.000 -5.659) 6.562 2.772 ( 0.570 0.000 3.126) 3.178 2.822 ( 1.271 0.000 2.681) 2.967 2.863 ( 0.666 0.000 -2.008) 2.115 2.865 ( -3.329 0.000 -0.297) 3.343 2.873 ( 1.718 0.000 0.549) 1.804 2.919 ( 0.449 0.000 4.336) 4.359 3.000 ( 1.477 0.000 0.297) 1.506 3.003 ( -1.879 0.000 0.241) 1.894 3.148 ( 0.863 0.000 2.520) 2.663 3.182 ( 0.631 0.000 -0.341) 0.718 3.194 ( 0.112 0.000 2.157) 2.160 3.274 ( 1.149 0.000 -2.949) 3.165 3.381 ( 1.990 0.000 -1.940) 2.779 3.390 ( -0.599 0.000 1.162) 1.307 3.444 ( 0.697 0.000 -3.103) 3.181 3.474 ( 0.259 0.000 0.418) 0.491 3.506 ( -1.320 0.000 1.624) 2.093 3.542 ( 1.192 0.000 -1.064) 1.598 3.636 ( -0.472 0.000 2.717) 2.758 3.800 ( 4.410 0.000 -10.547) 11.432 3.944 ( -2.144 0.000 -4.340) 4.841 3.983 ( -1.340 0.000 -0.514) 1.435 4.104 ( -0.051 0.000 -2.302) 2.303 4.136 ( 0.439 0.000 -0.394) 0.590 4.233 ( 2.522 0.000 5.606) 6.148 4.241 ( 2.842 0.000 2.952) 4.097 4.306 ( 2.717 0.000 2.730) 3.852 4.472 ( -10.987 0.000 19.843) 22.682 4.672 ( 0.950 0.000 0.308) 0.999 4.759 ( -1.388 0.000 -0.862) 1.634 5.763 ( -1.056 0.000 -1.197) 1.597 6.056 ( -6.595 0.000 12.597) 14.219 6.841 ( 1.004 0.000 1.082) 1.476 6.860 ( -1.353 0.000 -1.843) 2.286 6.908 ( 1.809 0.000 0.398) 1.852 6.940 ( -0.389 0.000 -0.133) 0.411 7.023 ( 2.068 0.000 1.988) 2.868 7.025 ( 5.643 0.000 -13.049) 14.217 7.051 ( 1.875 0.000 -3.147) 3.663 7.067 ( -1.982 0.000 0.852) 2.157 7.176 ( 1.620 0.000 -0.587) 1.723 7.344 ( -2.749 0.000 -1.364) 3.069 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 9.612 0.000 6.343) 11.516 0.682 ( 13.752 0.000 2.733) 14.021 0.788 ( -0.831 0.000 3.146) 3.254 0.943 ( 2.674 0.000 2.156) 3.435 0.951 ( 0.926 0.000 -5.293) 5.374 1.095 ( 2.147 0.000 0.065) 2.148 1.106 ( 1.579 0.000 8.498) 8.643 1.181 ( 4.644 0.000 -1.696) 4.944 1.202 ( 10.090 0.000 10.400) 14.490 1.241 ( -2.231 0.000 -3.476) 4.130 1.296 ( 2.199 0.000 6.193) 6.572 1.342 ( -0.910 0.000 -2.806) 2.950 1.360 ( -4.364 0.000 -4.007) 5.924 1.453 ( 1.552 0.000 -1.622) 2.245 1.475 ( -2.503 0.000 4.269) 4.948 1.485 ( -2.618 0.000 -1.131) 2.852 1.539 ( 0.339 0.000 -5.132) 5.143 1.697 ( 3.284 0.000 -0.819) 3.384 1.705 ( 1.332 0.000 3.016) 3.297 1.777 ( -3.854 0.000 -1.694) 4.210 1.846 ( 0.062 0.000 2.687) 2.688 1.876 ( -3.224 0.000 2.741) 4.232 1.911 ( -1.700 0.000 4.218) 4.547 1.968 ( -1.635 0.000 -0.266) 1.657 2.081 ( -2.061 0.000 -0.168) 2.068 2.091 ( -3.389 0.000 1.345) 3.646 2.097 ( 0.382 0.000 3.781) 3.800 2.118 ( -1.429 0.000 -5.272) 5.462 2.179 ( -0.789 0.000 -1.726) 1.897 2.194 ( 0.756 0.000 -1.972) 2.112 2.237 ( -3.279 0.000 -6.028) 6.862 2.255 ( -1.523 0.000 -2.787) 3.176 2.344 ( -2.308 0.000 -5.594) 6.052 2.405 ( 1.630 0.000 -0.556) 1.722 2.426 ( -1.589 0.000 -2.455) 2.924 2.445 ( -1.003 0.000 -2.142) 2.365 2.509 ( 0.740 0.000 0.699) 1.018 2.517 ( -0.726 0.000 -4.852) 4.906 2.588 ( -1.309 0.000 -1.177) 1.760 2.688 ( 0.551 0.000 -1.662) 1.751 2.748 ( 1.994 0.000 1.542) 2.521 2.752 ( 0.297 0.000 -1.568) 1.596 2.815 ( -0.215 0.000 1.318) 1.336 2.818 ( 0.831 0.000 2.440) 2.578 2.824 ( 0.010 0.000 -0.538) 0.538 2.869 ( -0.824 0.000 0.029) 0.825 2.904 ( 0.972 0.000 -0.212) 0.995 2.975 ( -1.187 0.000 1.087) 1.610 2.978 ( 3.100 0.000 3.478) 4.659 3.000 ( -1.335 0.000 -1.731) 2.186 3.165 ( -1.179 0.000 0.678) 1.360 3.190 ( -1.622 0.000 0.755) 1.789 3.200 ( -0.052 0.000 0.051) 0.073 3.275 ( 0.472 0.000 -0.225) 0.523 3.375 ( 0.913 0.000 -0.536) 1.059 3.413 ( 0.505 0.000 -0.304) 0.590 3.431 ( 0.656 0.000 -2.587) 2.669 3.469 ( -0.673 0.000 -0.404) 0.785 3.549 ( 2.738 0.000 4.488) 5.258 3.575 ( 3.570 0.000 -1.368) 3.823 3.649 ( -1.730 0.000 4.046) 4.400 3.775 ( 0.455 0.000 -5.478) 5.496 3.865 ( -1.682 0.000 -3.532) 3.912 3.957 ( -0.890 0.000 -0.204) 0.913 4.089 ( -0.339 0.000 -0.599) 0.689 4.136 ( 0.178 0.000 -0.998) 1.014 4.321 ( 2.326 0.000 3.622) 4.305 4.324 ( 2.189 0.000 2.812) 3.564 4.379 ( 2.710 0.000 1.896) 3.307 4.436 ( -5.138 0.000 6.000) 7.899 4.693 ( 0.843 0.000 0.331) 0.905 4.725 ( -1.209 0.000 -0.692) 1.393 5.730 ( -1.054 0.000 -1.238) 1.625 6.045 ( -2.418 0.000 4.086) 4.748 6.820 ( -1.086 0.000 -1.388) 1.762 6.864 ( 0.403 0.000 0.938) 1.020 6.941 ( 0.319 0.000 0.018) 0.319 6.958 ( 2.745 0.000 -0.282) 2.759 7.017 ( 1.330 0.000 -3.306) 3.564 7.038 ( -1.677 0.000 0.876) 1.892 7.065 ( 1.832 0.000 -0.316) 1.859 7.072 ( 1.342 0.000 1.324) 1.885 7.197 ( 1.072 0.000 -0.552) 1.206 7.263 ( -4.029 0.000 -2.044) 4.518 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 0.000 0.000) 0.000 0.783 ( 0.000 0.000 0.000) 0.000 0.853 ( 0.000 0.000 -0.000) 0.000 1.008 ( 0.000 0.000 0.000) 0.000 1.013 ( -0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 -0.000) 0.000 1.496 ( 0.000 0.000 -0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 -0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.732 ( -0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 -0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.144 ( -0.000 0.000 -0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.153 ( 0.000 0.000 -0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.881 ( -0.000 0.000 -0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.399 ( -0.000 0.000 -0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.629 ( -0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 -0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.373 ( -0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 -0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 0.000 13.798 0.000) 13.798 0.312 ( 0.000 15.811 0.000) 15.811 0.552 ( 0.000 26.411 0.000) 26.411 0.765 ( 0.000 -6.018 0.000) 6.018 0.865 ( 0.000 -7.314 0.000) 7.314 0.900 ( 0.000 -4.202 0.000) 4.202 0.931 ( 0.000 -2.284 0.000) 2.284 0.941 ( 0.000 -8.026 0.000) 8.026 0.942 ( 0.000 -4.667 0.000) 4.667 1.268 ( 0.000 5.646 0.000) 5.646 1.309 ( 0.000 5.040 0.000) 5.040 1.346 ( 0.000 -3.379 0.000) 3.379 1.413 ( 0.000 -7.558 0.000) 7.558 1.478 ( 0.000 -4.199 0.000) 4.199 1.517 ( 0.000 -0.289 0.000) 0.289 1.551 ( 0.000 -1.281 0.000) 1.281 1.709 ( 0.000 -0.150 0.000) 0.150 1.736 ( 0.000 2.098 0.000) 2.098 1.758 ( 0.000 3.993 0.000) 3.993 1.812 ( 0.000 -1.286 0.000) 1.286 1.813 ( 0.000 -3.967 0.000) 3.967 1.916 ( 0.000 -1.874 0.000) 1.874 1.988 ( 0.000 3.431 0.000) 3.431 2.010 ( 0.000 1.603 0.000) 1.603 2.013 ( 0.000 0.443 0.000) 0.443 2.094 ( 0.000 -2.049 0.000) 2.049 2.140 ( 0.000 2.390 0.000) 2.390 2.245 ( 0.000 2.403 0.000) 2.403 2.265 ( 0.000 2.665 0.000) 2.665 2.269 ( 0.000 1.071 0.000) 1.071 2.290 ( 0.000 3.579 0.000) 3.579 2.396 ( 0.000 -1.028 0.000) 1.028 2.400 ( 0.000 1.588 0.000) 1.588 2.425 ( 0.000 -1.988 0.000) 1.988 2.459 ( 0.000 -4.453 0.000) 4.453 2.513 ( 0.000 -4.179 0.000) 4.179 2.526 ( 0.000 -0.455 0.000) 0.455 2.625 ( 0.000 1.900 0.000) 1.900 2.647 ( 0.000 -2.973 0.000) 2.973 2.669 ( 0.000 -1.728 0.000) 1.728 2.690 ( 0.000 3.667 0.000) 3.667 2.703 ( 0.000 0.262 0.000) 0.262 2.787 ( 0.000 -0.862 0.000) 0.862 2.865 ( 0.000 -3.501 0.000) 3.501 2.880 ( 0.000 4.469 0.000) 4.469 2.882 ( 0.000 0.901 0.000) 0.901 2.928 ( 0.000 3.674 0.000) 3.674 2.952 ( 0.000 -0.528 0.000) 0.528 2.968 ( 0.000 0.061 0.000) 0.061 3.040 ( 0.000 -1.592 0.000) 1.592 3.162 ( 0.000 -0.998 0.000) 0.998 3.167 ( 0.000 -0.762 0.000) 0.762 3.191 ( 0.000 2.981 0.000) 2.981 3.248 ( 0.000 0.381 0.000) 0.381 3.397 ( 0.000 0.071 0.000) 0.071 3.451 ( 0.000 -0.979 0.000) 0.979 3.467 ( 0.000 -0.205 0.000) 0.205 3.476 ( 0.000 1.299 0.000) 1.299 3.520 ( 0.000 0.118 0.000) 0.118 3.524 ( 0.000 -1.340 0.000) 1.340 3.665 ( 0.000 0.206 0.000) 0.206 3.667 ( 0.000 0.074 0.000) 0.074 3.985 ( 0.000 -0.418 0.000) 0.418 4.058 ( 0.000 -1.766 0.000) 1.766 4.069 ( 0.000 0.584 0.000) 0.584 4.099 ( 0.000 -2.165 0.000) 2.165 4.172 ( 0.000 2.088 0.000) 2.088 4.209 ( 0.000 0.987 0.000) 0.987 4.223 ( 0.000 1.838 0.000) 1.838 4.319 ( 0.000 -1.805 0.000) 1.805 4.678 ( 0.000 1.724 0.000) 1.724 4.761 ( 0.000 -1.601 0.000) 1.601 5.760 ( 0.000 0.229 0.000) 0.229 5.777 ( 0.000 -0.465 0.000) 0.465 6.831 ( 0.000 0.685 0.000) 0.685 6.871 ( 0.000 -1.090 0.000) 1.090 6.905 ( 0.000 1.218 0.000) 1.218 6.939 ( 0.000 -0.470 0.000) 0.470 6.995 ( 0.000 2.042 0.000) 2.042 7.049 ( 0.000 0.383 0.000) 0.383 7.072 ( 0.000 -0.906 0.000) 0.906 7.131 ( 0.000 -2.477 0.000) 2.477 7.400 ( 0.000 2.284 0.000) 2.284 7.489 ( 0.000 -1.484 0.000) 1.484 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 11.358 7.765 3.278) 14.144 0.509 ( 10.413 10.318 6.882) 16.194 0.743 ( 6.741 4.007 7.652) 10.957 0.807 ( 5.093 3.418 7.767) 9.897 0.883 ( 2.525 -5.572 0.275) 6.124 0.926 ( 2.734 -1.427 2.995) 4.300 0.944 ( 2.587 -3.264 -4.544) 6.164 0.977 ( 5.192 -6.312 -0.473) 8.187 1.034 ( 5.438 -7.212 4.311) 10.008 1.240 ( -1.971 4.038 0.840) 4.572 1.326 ( 1.391 4.882 1.593) 5.320 1.378 ( -0.540 -2.837 -1.168) 3.116 1.404 ( 0.853 -8.555 -1.049) 8.661 1.459 ( -1.188 -2.365 -2.177) 3.427 1.507 ( -0.928 -0.324 0.643) 1.174 1.519 ( -2.060 0.684 -1.881) 2.872 1.658 ( -2.855 2.183 -0.646) 3.652 1.681 ( -3.588 -1.512 -3.576) 5.287 1.697 ( -1.721 2.571 -0.243) 3.103 1.787 ( 0.451 2.919 2.703) 4.003 1.891 ( -1.724 -1.382 -0.197) 2.219 1.933 ( -3.738 1.141 0.834) 3.996 1.945 ( 1.400 -3.064 0.493) 3.405 1.970 ( -3.099 1.494 -0.105) 3.443 2.030 ( -0.215 -1.475 4.039) 4.305 2.090 ( -0.967 -0.918 0.900) 1.609 2.152 ( 0.059 3.222 -0.313) 3.238 2.175 ( -0.865 0.372 -3.837) 3.950 2.209 ( -1.532 1.054 -3.261) 3.754 2.285 ( -1.640 0.721 -5.155) 5.457 2.303 ( -2.423 -0.322 -1.195) 2.721 2.347 ( -0.294 3.305 0.300) 3.332 2.376 ( -0.563 1.209 -3.589) 3.829 2.432 ( 0.025 3.730 0.737) 3.803 2.474 ( 0.720 -2.766 0.630) 2.927 2.484 ( -0.132 -3.458 0.770) 3.545 2.542 ( 0.218 0.073 -0.772) 0.805 2.558 ( -2.384 -0.286 -5.934) 6.401 2.604 ( -1.443 -0.901 -3.404) 3.806 2.653 ( -1.414 2.530 -2.417) 3.774 2.678 ( 1.829 -5.105 0.751) 5.474 2.749 ( 1.713 1.267 -1.183) 2.437 2.793 ( 0.045 0.683 -0.802) 1.055 2.837 ( -0.194 0.404 0.241) 0.509 2.839 ( -3.260 -1.885 -0.053) 3.766 2.915 ( -1.753 5.198 0.005) 5.486 2.918 ( -1.112 0.090 1.202) 1.640 2.951 ( 1.227 1.188 2.012) 2.639 2.967 ( -0.876 -0.645 -1.001) 1.478 3.044 ( 1.880 2.949 0.722) 3.571 3.108 ( -2.665 -2.605 2.175) 4.315 3.152 ( -0.239 -2.099 1.305) 2.483 3.224 ( 3.656 2.358 -1.827) 4.718 3.279 ( 3.900 0.770 -1.812) 4.369 3.372 ( 0.946 -0.287 -1.708) 1.974 3.426 ( -0.162 -0.190 -2.347) 2.360 3.468 ( -1.565 1.368 -1.197) 2.399 3.486 ( -1.957 1.820 0.600) 2.739 3.505 ( 0.859 1.181 1.126) 1.844 3.563 ( 1.442 1.690 1.148) 2.501 3.636 ( -0.484 -0.041 1.893) 1.955 3.717 ( 3.189 -5.605 -6.968) 9.494 3.966 ( -0.934 1.756 -0.432) 2.035 4.034 ( -1.215 3.362 -2.999) 4.666 4.080 ( 0.652 -2.540 1.019) 2.814 4.122 ( -0.257 -1.199 -0.622) 1.375 4.240 ( 2.067 0.939 4.464) 5.009 4.260 ( 2.873 1.494 2.511) 4.098 4.286 ( 3.535 -1.835 6.596) 7.706 4.377 ( -1.797 -5.304 10.139) 11.583 4.682 ( 0.383 1.039 -0.045) 1.109 4.744 ( -1.227 -1.392 -0.827) 2.031 5.766 ( -0.591 0.353 -0.773) 1.035 5.869 ( 3.642 -7.993 5.480) 10.353 6.845 ( 0.893 0.332 0.637) 1.146 6.871 ( 0.518 -0.979 -0.715) 1.319 6.929 ( 1.586 1.664 0.433) 2.339 6.961 ( 2.682 -1.015 -0.878) 2.999 6.979 ( -1.610 2.520 0.431) 3.021 7.045 ( -1.184 -0.448 1.054) 1.647 7.060 ( -0.994 0.294 1.066) 1.487 7.149 ( 1.376 -2.431 -0.049) 2.794 7.276 ( -7.388 9.358 -9.142) 15.025 7.358 ( -3.628 1.005 -2.061) 4.292 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 10.216 2.519 4.639) 11.500 0.727 ( 7.939 4.562 3.567) 9.827 0.803 ( 0.722 1.606 2.343) 2.931 0.908 ( -0.900 -3.106 -1.530) 3.577 0.932 ( 5.178 -4.335 -1.703) 6.964 0.979 ( 2.511 -3.837 3.222) 5.605 1.071 ( 3.060 -4.249 1.580) 5.469 1.136 ( 4.829 -4.617 3.844) 7.708 1.165 ( 1.439 -1.941 3.990) 4.665 1.241 ( 3.092 1.166 1.479) 3.621 1.305 ( -3.076 -1.436 -1.998) 3.939 1.352 ( -0.349 -0.596 -0.100) 0.698 1.403 ( 0.475 -1.219 1.889) 2.298 1.437 ( 0.552 2.697 -2.084) 3.453 1.464 ( -0.728 0.304 -2.220) 2.356 1.515 ( 1.481 2.385 2.309) 3.635 1.612 ( -1.929 4.524 -0.125) 4.919 1.650 ( 1.436 -1.529 1.693) 2.695 1.715 ( 1.140 -0.016 2.775) 3.000 1.798 ( -4.199 1.855 -2.634) 5.292 1.831 ( 0.149 -0.315 2.117) 2.145 1.869 ( -1.790 -2.851 0.634) 3.426 1.903 ( -3.650 1.978 1.164) 4.312 1.971 ( -1.352 -0.853 4.066) 4.369 2.032 ( -1.928 -3.269 1.569) 4.107 2.091 ( -2.405 -2.243 -5.480) 6.391 2.106 ( -0.373 1.389 1.824) 2.323 2.142 ( 1.220 0.715 -1.892) 2.362 2.183 ( 0.194 1.327 -0.723) 1.524 2.217 ( -2.363 0.564 -2.441) 3.444 2.255 ( -0.088 4.819 -3.133) 5.749 2.306 ( -1.994 3.526 -2.604) 4.816 2.344 ( -1.514 -1.300 -1.650) 2.589 2.386 ( -1.957 2.886 -5.689) 6.672 2.445 ( -2.434 -1.721 -4.880) 5.719 2.481 ( 0.656 0.740 0.522) 1.118 2.521 ( 0.598 2.431 -2.460) 3.510 2.549 ( 0.444 -2.357 -0.986) 2.593 2.571 ( 0.340 1.720 -0.139) 1.759 2.638 ( 0.862 -0.183 -0.620) 1.077 2.711 ( 1.504 -5.343 0.559) 5.578 2.748 ( -1.174 -2.238 -1.023) 2.727 2.784 ( -0.552 -0.920 -0.984) 1.456 2.794 ( -1.100 -1.249 2.564) 3.057 2.845 ( 1.808 1.170 -0.891) 2.331 2.881 ( -1.769 0.033 -0.320) 1.798 2.904 ( -0.284 2.065 1.107) 2.360 2.947 ( -1.567 -0.020 1.578) 2.224 2.958 ( 0.240 -1.516 -2.099) 2.600 3.090 ( -0.954 -4.201 0.381) 4.325 3.093 ( 0.559 3.167 1.908) 3.740 3.178 ( -0.093 -0.913 1.306) 1.596 3.260 ( 1.399 4.937 -1.226) 5.276 3.324 ( 1.008 2.461 1.646) 3.127 3.387 ( 1.524 0.809 -1.812) 2.502 3.406 ( -0.864 0.221 0.392) 0.974 3.431 ( 0.537 -0.965 -2.815) 3.024 3.461 ( -1.053 -0.404 0.269) 1.160 3.538 ( 1.354 0.299 2.477) 2.839 3.603 ( 2.692 1.826 -1.099) 3.433 3.646 ( -1.144 -0.799 2.328) 2.714 3.691 ( 0.121 -4.890 -4.391) 6.573 3.949 ( -0.466 4.987 0.096) 5.009 3.991 ( -0.805 3.286 -1.711) 3.791 4.088 ( -0.385 -0.543 0.355) 0.755 4.121 ( 0.344 -1.722 -0.298) 1.781 4.300 ( 1.528 -0.079 2.444) 2.884 4.349 ( 1.950 0.791 2.423) 3.209 4.376 ( 2.539 -0.428 1.975) 3.245 4.403 ( -2.008 -2.651 5.938) 6.806 4.690 ( 0.398 -0.171 0.027) 0.434 4.714 ( -1.082 -1.007 -0.650) 1.615 5.745 ( -0.655 1.694 -0.839) 2.001 5.936 ( 0.380 -8.096 2.685) 8.538 6.860 ( 0.361 0.057 0.180) 0.408 6.876 ( 0.015 1.344 -0.092) 1.347 6.931 ( -0.805 2.011 -0.571) 2.240 6.985 ( 2.215 1.173 0.104) 2.508 7.008 ( 2.426 -0.162 -1.000) 2.629 7.028 ( -1.194 -0.920 0.876) 1.743 7.067 ( -0.074 1.148 3.216) 3.415 7.143 ( -1.425 4.214 -3.402) 5.600 7.173 ( 0.667 -1.667 -0.451) 1.851 7.259 ( -4.229 -0.635 -2.814) 5.119 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 0.220 0.000) 0.220 0.835 ( 0.000 6.381 0.000) 6.381 0.842 ( 0.000 -1.686 -0.000) 1.686 0.910 ( -0.000 -6.024 -0.000) 6.024 0.925 ( 0.000 -4.235 0.000) 4.235 1.061 ( 0.000 0.875 0.000) 0.875 1.078 ( -0.000 -2.247 0.000) 2.247 1.139 ( 0.000 -3.007 0.000) 3.007 1.192 ( 0.000 -0.700 0.000) 0.700 1.273 ( -0.000 0.494 -0.000) 0.494 1.279 ( 0.000 -2.247 0.000) 2.247 1.323 ( 0.000 -5.762 0.000) 5.762 1.415 ( 0.000 -0.764 0.000) 0.764 1.437 ( 0.000 0.265 -0.000) 0.265 1.515 ( 0.000 3.293 0.000) 3.293 1.558 ( 0.000 2.373 0.000) 2.373 1.589 ( 0.000 5.028 0.000) 5.028 1.673 ( 0.000 0.552 0.000) 0.552 1.738 ( -0.000 0.446 0.000) 0.446 1.752 ( 0.000 -0.898 0.000) 0.898 1.832 ( 0.000 -3.059 0.000) 3.059 1.861 ( 0.000 -3.617 -0.000) 3.617 1.878 ( 0.000 2.282 0.000) 2.282 1.990 ( 0.000 0.098 0.000) 0.098 2.014 ( 0.000 -0.931 0.000) 0.931 2.069 ( 0.000 -0.554 0.000) 0.554 2.098 ( 0.000 1.060 0.000) 1.060 2.133 ( 0.000 0.115 0.000) 0.115 2.174 ( 0.000 1.404 0.000) 1.404 2.191 ( 0.000 2.086 0.000) 2.086 2.212 ( 0.000 3.383 0.000) 3.383 2.282 ( 0.000 -1.319 0.000) 1.319 2.295 ( 0.000 4.365 0.000) 4.365 2.344 ( 0.000 2.036 0.000) 2.036 2.395 ( 0.000 1.216 -0.000) 1.216 2.490 ( 0.000 -0.429 0.000) 0.429 2.503 ( 0.000 -0.400 0.000) 0.400 2.562 ( 0.000 2.612 0.000) 2.612 2.571 ( 0.000 -1.523 0.000) 1.523 2.653 ( 0.000 1.636 0.000) 1.636 2.709 ( 0.000 -0.785 0.000) 0.785 2.747 ( 0.000 -7.726 0.000) 7.726 2.762 ( 0.000 -2.431 0.000) 2.431 2.804 ( 0.000 -1.885 0.000) 1.885 2.866 ( 0.000 0.201 0.000) 0.201 2.898 ( 0.000 0.626 0.000) 0.626 2.907 ( 0.000 1.859 0.000) 1.859 2.918 ( -0.000 1.138 0.000) 1.138 2.944 ( 0.000 -3.308 0.000) 3.308 3.089 ( 0.000 -5.715 0.000) 5.715 3.094 ( -0.000 3.939 0.000) 3.939 3.167 ( 0.000 -0.465 0.000) 0.465 3.273 ( 0.000 6.593 0.000) 6.593 3.337 ( 0.000 3.808 0.000) 3.808 3.399 ( 0.000 -0.191 0.000) 0.191 3.404 ( 0.000 0.436 0.000) 0.436 3.420 ( 0.000 -0.051 0.000) 0.051 3.448 ( 0.000 -1.152 0.000) 1.152 3.594 ( 0.000 -1.920 0.000) 1.920 3.612 ( -0.000 -3.295 0.000) 3.295 3.637 ( 0.000 0.738 -0.000) 0.738 3.669 ( 0.000 -1.557 0.000) 1.557 3.948 ( 0.000 6.731 0.000) 6.731 3.976 ( 0.000 2.631 0.000) 2.631 4.085 ( 0.000 -0.135 0.000) 0.135 4.121 ( 0.000 -1.197 0.000) 1.197 4.334 ( 0.000 -1.298 0.000) 1.298 4.357 ( 0.000 -1.410 0.000) 1.410 4.412 ( 0.000 0.647 0.000) 0.647 4.420 ( 0.000 0.173 0.000) 0.173 4.694 ( 0.000 -0.692 0.000) 0.692 4.700 ( 0.000 -0.838 0.000) 0.838 5.734 ( 0.000 2.303 0.000) 2.303 5.949 ( 0.000 -7.525 0.000) 7.525 6.867 ( -0.000 -0.177 0.000) 0.177 6.869 ( 0.000 4.055 0.000) 4.055 6.923 ( 0.000 -0.211 0.000) 0.211 7.014 ( -0.000 2.109 0.000) 2.109 7.016 ( 0.000 -0.614 -0.000) 0.614 7.026 ( 0.000 0.564 0.000) 0.564 7.105 ( 0.000 0.102 0.000) 0.102 7.116 ( 0.000 2.053 0.000) 2.053 7.173 ( 0.000 -1.990 -0.000) 1.990 7.191 ( 0.000 -1.255 0.000) 1.255 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 -13.993 0.000) 13.993 0.538 ( 0.000 13.993 0.000) 13.993 0.613 ( 0.000 -14.828 0.000) 14.828 0.613 ( 0.000 14.828 0.000) 14.828 0.850 ( 0.000 -3.353 0.000) 3.353 0.850 ( 0.000 3.353 0.000) 3.353 0.901 ( 0.000 -1.427 0.000) 1.427 0.901 ( 0.000 1.427 0.000) 1.427 1.089 ( 0.000 -20.411 0.000) 20.411 1.089 ( 0.000 20.411 0.000) 20.411 1.337 ( 0.000 -1.578 0.000) 1.578 1.337 ( 0.000 1.578 0.000) 1.578 1.390 ( 0.000 -4.146 0.000) 4.146 1.390 ( 0.000 4.146 0.000) 4.146 1.523 ( 0.000 -1.061 0.000) 1.061 1.523 ( 0.000 1.061 0.000) 1.061 1.736 ( 0.000 -2.471 0.000) 2.471 1.736 ( 0.000 2.471 0.000) 2.471 1.782 ( 0.000 -1.335 0.000) 1.335 1.782 ( 0.000 1.335 0.000) 1.335 1.855 ( 0.000 -4.751 0.000) 4.751 1.855 ( 0.000 4.751 0.000) 4.751 2.017 ( 0.000 -0.202 0.000) 0.202 2.017 ( 0.000 0.202 0.000) 0.202 2.047 ( 0.000 -2.329 0.000) 2.329 2.047 ( 0.000 2.329 0.000) 2.329 2.238 ( 0.000 -4.460 0.000) 4.460 2.238 ( 0.000 4.460 0.000) 4.460 2.292 ( 0.000 -0.596 0.000) 0.596 2.292 ( 0.000 0.596 0.000) 0.596 2.357 ( 0.000 -4.353 0.000) 4.353 2.357 ( 0.000 4.353 0.000) 4.353 2.377 ( 0.000 -1.370 0.000) 1.370 2.377 ( 0.000 1.370 0.000) 1.370 2.464 ( 0.000 -1.544 0.000) 1.544 2.464 ( 0.000 1.544 0.000) 1.544 2.558 ( 0.000 -4.794 0.000) 4.794 2.558 ( 0.000 4.794 0.000) 4.794 2.646 ( 0.000 -0.799 0.000) 0.799 2.646 ( 0.000 0.799 0.000) 0.799 2.736 ( 0.000 -1.612 0.000) 1.612 2.736 ( 0.000 1.612 0.000) 1.612 2.790 ( 0.000 -3.468 0.000) 3.468 2.790 ( 0.000 3.468 0.000) 3.468 2.912 ( 0.000 -1.776 0.000) 1.776 2.912 ( 0.000 1.776 0.000) 1.776 2.957 ( 0.000 -1.809 0.000) 1.809 2.957 ( 0.000 1.809 0.000) 1.809 2.994 ( 0.000 -2.770 0.000) 2.770 2.994 ( 0.000 2.770 0.000) 2.770 3.153 ( 0.000 -0.229 0.000) 0.229 3.153 ( 0.000 0.229 0.000) 0.229 3.241 ( 0.000 -1.428 0.000) 1.428 3.241 ( 0.000 1.428 0.000) 1.428 3.418 ( 0.000 -1.915 0.000) 1.915 3.418 ( 0.000 1.915 0.000) 1.915 3.476 ( 0.000 -1.010 0.000) 1.010 3.476 ( 0.000 1.010 0.000) 1.010 3.516 ( 0.000 -0.480 0.000) 0.480 3.516 ( 0.000 0.480 0.000) 0.480 3.668 ( 0.000 -0.058 0.000) 0.058 3.668 ( 0.000 0.058 0.000) 0.058 4.006 ( 0.000 -2.531 0.000) 2.531 4.006 ( 0.000 2.531 0.000) 2.531 4.078 ( 0.000 -0.466 0.000) 0.466 4.078 ( 0.000 0.466 0.000) 0.466 4.207 ( 0.000 -1.120 0.000) 1.120 4.207 ( 0.000 1.120 0.000) 1.120 4.272 ( 0.000 -2.762 0.000) 2.762 4.272 ( 0.000 2.762 0.000) 2.762 4.721 ( 0.000 -2.369 0.000) 2.369 4.721 ( 0.000 2.369 0.000) 2.369 5.767 ( 0.000 -0.480 0.000) 0.480 5.767 ( 0.000 0.480 0.000) 0.480 6.849 ( 0.000 -1.106 0.000) 1.106 6.849 ( 0.000 1.106 0.000) 1.106 6.927 ( 0.000 -0.877 0.000) 0.877 6.927 ( 0.000 0.877 0.000) 0.877 7.035 ( 0.000 -1.860 0.000) 1.860 7.035 ( 0.000 1.860 0.000) 1.860 7.082 ( 0.000 -2.045 0.000) 2.045 7.082 ( 0.000 2.045 0.000) 2.045 7.449 ( 0.000 -2.455 0.000) 2.455 7.449 ( 0.000 2.455 0.000) 2.455 ======================= Grid point 16 (10/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 6.937 -11.351 -0.246) 13.305 0.599 ( 6.937 11.351 -0.246) 13.305 0.715 ( 4.717 -9.816 6.266) 12.565 0.715 ( 4.717 9.816 6.266) 12.565 0.898 ( 2.352 -4.154 5.617) 7.372 0.898 ( 2.352 4.154 5.617) 7.372 0.911 ( 2.292 -1.302 -2.081) 3.358 0.911 ( 2.292 1.302 -2.081) 3.358 1.152 ( 4.725 -15.331 2.712) 16.270 1.152 ( 4.725 15.331 2.712) 16.270 1.311 ( -2.482 -3.342 0.377) 4.180 1.311 ( -2.482 3.342 0.377) 4.180 1.412 ( 1.555 -3.265 -0.516) 3.653 1.412 ( 1.555 3.265 -0.516) 3.653 1.514 ( -0.317 -0.851 0.152) 0.921 1.514 ( -0.317 0.851 0.152) 0.921 1.655 ( -2.573 -0.581 -3.396) 4.300 1.655 ( -2.573 0.581 -3.396) 4.300 1.805 ( -1.427 -4.968 1.663) 5.430 1.805 ( -1.427 4.968 1.663) 5.430 1.872 ( -0.014 -3.529 1.319) 3.767 1.872 ( -0.014 3.529 1.319) 3.767 1.964 ( -4.076 -2.309 1.445) 4.902 1.964 ( -4.076 2.309 1.445) 4.902 2.052 ( -0.125 -3.217 -0.324) 3.236 2.052 ( -0.125 3.217 -0.324) 3.236 2.189 ( -2.557 -0.571 -4.660) 5.346 2.189 ( -2.557 0.571 -4.660) 5.346 2.252 ( -1.902 -2.170 -1.935) 3.474 2.252 ( -1.902 2.170 -1.935) 3.474 2.359 ( 0.504 -2.040 -0.609) 2.188 2.359 ( 0.504 2.040 -0.609) 2.188 2.397 ( 1.094 -1.925 0.625) 2.301 2.397 ( 1.094 1.925 0.625) 2.301 2.480 ( -0.345 -2.881 -2.015) 3.532 2.480 ( -0.345 2.881 -2.015) 3.532 2.535 ( -0.232 -1.236 -1.015) 1.616 2.535 ( -0.232 1.236 -1.015) 1.616 2.602 ( -0.001 -1.319 -2.136) 2.511 2.602 ( -0.001 1.319 -2.136) 2.511 2.735 ( -1.764 -3.853 -1.611) 4.533 2.735 ( -1.764 3.853 -1.611) 4.533 2.797 ( -0.405 -1.736 0.574) 1.873 2.797 ( -0.405 1.736 0.574) 1.873 2.881 ( -1.305 -2.853 -0.647) 3.203 2.881 ( -1.305 2.853 -0.647) 3.203 2.947 ( -1.043 -0.532 0.028) 1.171 2.947 ( -1.043 0.532 0.028) 1.171 3.026 ( -0.309 -3.938 2.400) 4.622 3.026 ( -0.309 3.938 2.400) 4.622 3.116 ( -1.178 -1.956 0.603) 2.361 3.116 ( -1.178 1.956 0.603) 2.361 3.272 ( 5.911 -1.958 -3.436) 7.111 3.272 ( 5.911 1.958 -3.436) 7.111 3.391 ( -0.846 -2.152 -0.581) 2.384 3.391 ( -0.846 2.152 -0.581) 2.384 3.488 ( -2.454 -0.594 -0.172) 2.531 3.488 ( -2.454 0.594 -0.172) 2.531 3.567 ( 3.819 -2.560 1.883) 4.969 3.567 ( 3.819 2.560 1.883) 4.969 3.640 ( -0.807 -1.405 -2.943) 3.360 3.640 ( -0.807 1.405 -2.943) 3.360 4.017 ( 0.029 -3.330 2.067) 3.919 4.017 ( 0.029 3.330 2.067) 3.919 4.088 ( -0.319 -2.240 -0.791) 2.396 4.088 ( -0.319 2.240 -0.791) 2.396 4.258 ( 3.321 -0.884 6.018) 6.930 4.258 ( 3.321 0.884 6.018) 6.930 4.304 ( 1.240 -2.870 1.999) 3.711 4.304 ( 1.240 2.870 1.999) 3.711 4.711 ( -0.630 -1.816 -0.586) 2.009 4.711 ( -0.630 1.816 -0.586) 2.009 5.785 ( 1.047 -1.917 0.837) 2.339 5.785 ( 1.047 1.917 0.837) 2.339 6.854 ( 0.691 -0.675 -0.231) 0.993 6.854 ( 0.691 0.675 -0.231) 0.993 6.949 ( 1.958 -0.573 0.441) 2.087 6.949 ( 1.958 0.573 0.441) 2.087 7.020 ( -1.361 -1.682 0.324) 2.188 7.020 ( -1.361 1.682 0.324) 2.188 7.094 ( 0.611 -2.724 0.761) 2.893 7.094 ( 0.611 2.724 0.761) 2.893 7.363 ( -5.748 -1.140 -3.973) 7.079 7.363 ( -5.748 1.140 -3.973) 7.079 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 4.447 -5.725 2.819) 7.779 0.735 ( 4.447 5.725 2.819) 7.779 0.825 ( 3.803 -0.395 1.262) 4.026 0.825 ( 3.803 0.395 1.262) 4.026 0.945 ( 3.402 -5.440 -1.449) 6.577 0.945 ( 3.402 5.440 -1.449) 6.577 1.026 ( 4.703 -4.525 5.059) 8.258 1.026 ( 4.703 4.525 5.059) 8.258 1.210 ( -1.708 -4.786 0.517) 5.108 1.210 ( -1.708 4.786 0.517) 5.108 1.294 ( 0.132 -2.779 -0.335) 2.803 1.294 ( 0.132 2.779 -0.335) 2.803 1.427 ( 0.881 -1.790 0.313) 2.020 1.427 ( 0.881 1.790 0.313) 2.020 1.520 ( 1.255 -2.338 0.368) 2.679 1.520 ( 1.255 2.338 0.368) 2.679 1.641 ( 0.886 -2.227 2.417) 3.404 1.641 ( 0.886 2.227 2.417) 3.404 1.777 ( -2.574 -4.948 1.913) 5.897 1.777 ( -2.574 4.948 1.913) 5.897 1.837 ( -2.477 -0.133 -1.443) 2.870 1.837 ( -2.477 0.133 -1.443) 2.870 1.945 ( -1.394 -1.562 3.447) 4.032 1.945 ( -1.394 1.562 3.447) 4.032 2.017 ( -1.138 -3.169 -2.387) 4.127 2.017 ( -1.138 3.169 -2.387) 4.127 2.138 ( -0.086 -1.172 -0.136) 1.183 2.138 ( -0.086 1.172 -0.136) 1.183 2.215 ( -0.368 -1.223 -1.578) 2.030 2.215 ( -0.368 1.223 -1.578) 2.030 2.335 ( -2.574 -1.652 -5.037) 5.893 2.335 ( -2.574 1.652 -5.037) 5.893 2.378 ( -0.236 -4.287 -2.391) 4.914 2.378 ( -0.236 4.287 -2.391) 4.914 2.450 ( -0.636 -3.284 -0.577) 3.394 2.450 ( -0.636 3.284 -0.577) 3.394 2.533 ( 0.629 -2.205 -1.279) 2.625 2.533 ( 0.629 2.205 -1.279) 2.625 2.596 ( 0.431 -2.195 -1.601) 2.751 2.596 ( 0.431 2.195 -1.601) 2.751 2.710 ( 0.009 -3.732 0.329) 3.746 2.710 ( 0.009 3.732 0.329) 3.746 2.768 ( -1.828 -1.079 0.273) 2.140 2.768 ( -1.828 1.079 0.273) 2.140 2.874 ( 0.316 -1.001 0.233) 1.075 2.874 ( 0.316 1.001 0.233) 1.075 2.930 ( 0.222 -1.465 -1.316) 1.982 2.930 ( 0.222 1.465 -1.316) 1.982 2.990 ( -2.694 -4.269 0.478) 5.070 2.990 ( -2.694 4.269 0.478) 5.070 3.153 ( 0.749 -1.881 1.356) 2.437 3.153 ( 0.749 1.881 1.356) 2.437 3.341 ( 2.528 -1.942 -0.357) 3.208 3.341 ( 2.528 1.942 -0.357) 3.208 3.389 ( 1.164 -1.201 -0.314) 1.702 3.389 ( 1.164 1.201 -0.314) 1.702 3.443 ( -1.889 -1.506 0.521) 2.471 3.443 ( -1.889 1.506 0.521) 2.471 3.583 ( -0.014 -3.848 -3.692) 5.333 3.583 ( -0.014 3.848 -3.692) 5.333 3.640 ( 0.912 -1.509 1.452) 2.284 3.640 ( 0.912 1.509 1.452) 2.284 4.030 ( -0.360 -2.573 0.727) 2.698 4.030 ( -0.360 2.573 0.727) 2.698 4.077 ( 0.114 -2.020 0.211) 2.034 4.077 ( 0.114 2.020 0.211) 2.034 4.326 ( -0.046 -2.403 1.413) 2.788 4.326 ( -0.046 2.403 1.413) 2.788 4.374 ( 2.872 -0.560 3.993) 4.951 4.374 ( 2.872 0.560 3.993) 4.951 4.694 ( -0.515 -0.732 -0.435) 0.995 4.694 ( -0.515 0.732 -0.435) 0.995 5.806 ( 0.456 -4.779 0.494) 4.826 5.806 ( 0.456 4.779 0.494) 4.826 6.867 ( 0.667 -0.748 0.038) 1.003 6.867 ( 0.667 0.748 0.038) 1.003 6.985 ( 0.363 -1.668 -0.154) 1.714 6.985 ( 0.363 1.668 -0.154) 1.714 7.011 ( 1.313 -0.418 0.334) 1.417 7.011 ( 1.313 0.418 0.334) 1.417 7.111 ( -0.313 -3.037 2.280) 3.810 7.111 ( -0.313 3.037 2.280) 3.810 7.228 ( -4.131 -2.788 -4.125) 6.469 7.228 ( -4.131 2.788 -4.125) 6.469 ======================= Grid point 20 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 -1.921 0.000) 1.921 0.781 ( 0.000 1.921 0.000) 1.921 0.877 ( 0.000 -0.833 0.000) 0.833 0.877 ( 0.000 0.833 0.000) 0.833 0.984 ( 0.000 -7.339 0.000) 7.339 0.984 ( 0.000 7.339 0.000) 7.339 1.086 ( 0.000 -2.106 0.000) 2.106 1.086 ( 0.000 2.106 0.000) 2.106 1.205 ( 0.000 -2.851 0.000) 2.851 1.205 ( 0.000 2.851 0.000) 2.851 1.276 ( 0.000 -0.114 0.000) 0.114 1.276 ( 0.000 0.114 0.000) 0.114 1.418 ( 0.000 -1.028 -0.000) 1.028 1.418 ( 0.000 1.028 0.000) 1.028 1.573 ( 0.000 -1.170 0.000) 1.170 1.573 ( 0.000 1.170 0.000) 1.170 1.656 ( 0.000 -1.840 0.000) 1.840 1.656 ( 0.000 1.840 0.000) 1.840 1.761 ( 0.000 -1.452 0.000) 1.452 1.761 ( 0.000 1.452 0.000) 1.452 1.798 ( 0.000 -2.089 -0.000) 2.089 1.798 ( 0.000 2.089 0.000) 2.089 1.939 ( 0.000 -3.513 0.000) 3.513 1.939 ( 0.000 3.513 0.000) 3.513 2.033 ( 0.000 -1.880 0.000) 1.880 2.033 ( 0.000 1.880 0.000) 1.880 2.128 ( 0.000 -1.194 0.000) 1.194 2.128 ( 0.000 1.194 0.000) 1.194 2.216 ( 0.000 -2.023 0.000) 2.023 2.216 ( -0.000 2.023 -0.000) 2.023 2.244 ( 0.000 -3.176 0.000) 3.176 2.244 ( 0.000 3.176 0.000) 3.176 2.373 ( 0.000 -1.693 0.000) 1.693 2.373 ( 0.000 1.693 0.000) 1.693 2.438 ( 0.000 -3.033 0.000) 3.033 2.438 ( 0.000 3.033 0.000) 3.033 2.534 ( 0.000 -4.034 -0.000) 4.034 2.534 ( 0.000 4.034 0.000) 4.034 2.592 ( 0.000 -3.123 0.000) 3.123 2.592 ( 0.000 3.123 0.000) 3.123 2.714 ( 0.000 -2.486 0.000) 2.486 2.714 ( 0.000 2.486 0.000) 2.486 2.756 ( 0.000 -3.646 0.000) 3.646 2.756 ( 0.000 3.646 0.000) 3.646 2.876 ( 0.000 -1.585 0.000) 1.585 2.876 ( 0.000 1.585 0.000) 1.585 2.933 ( 0.000 -0.220 0.000) 0.220 2.933 ( -0.000 0.220 0.000) 0.220 2.970 ( 0.000 -5.353 0.000) 5.353 2.970 ( 0.000 5.353 0.000) 5.353 3.150 ( 0.000 -1.658 0.000) 1.658 3.150 ( 0.000 1.658 0.000) 1.658 3.368 ( 0.000 -2.515 0.000) 2.515 3.368 ( 0.000 2.515 0.000) 2.515 3.404 ( 0.000 -1.432 0.000) 1.432 3.404 ( 0.000 1.432 0.000) 1.432 3.423 ( 0.000 -0.436 0.000) 0.436 3.423 ( 0.000 0.436 0.000) 0.436 3.566 ( 0.000 -0.076 0.000) 0.076 3.566 ( 0.000 0.076 0.000) 0.076 3.655 ( 0.000 -0.873 -0.000) 0.873 3.655 ( 0.000 0.873 0.000) 0.873 4.026 ( 0.000 -0.777 0.000) 0.777 4.026 ( 0.000 0.777 0.000) 0.777 4.083 ( 0.000 -1.789 0.000) 1.789 4.083 ( 0.000 1.789 0.000) 1.789 4.330 ( 0.000 -0.921 0.000) 0.921 4.330 ( 0.000 0.921 0.000) 0.921 4.420 ( 0.000 -0.204 0.000) 0.204 4.420 ( 0.000 0.204 0.000) 0.204 4.687 ( 0.000 -0.223 0.000) 0.223 4.687 ( 0.000 0.223 0.000) 0.223 5.811 ( 0.000 -5.722 0.000) 5.722 5.811 ( 0.000 5.722 0.000) 5.722 6.874 ( 0.000 -0.866 0.000) 0.866 6.874 ( 0.000 0.866 0.000) 0.866 6.980 ( 0.000 -3.048 0.000) 3.048 6.980 ( -0.000 3.048 0.000) 3.048 7.039 ( 0.000 -0.028 0.000) 0.028 7.039 ( -0.000 0.028 0.000) 0.028 7.122 ( 0.000 -1.955 0.000) 1.955 7.122 ( 0.000 1.955 -0.000) 1.955 7.160 ( 0.000 -1.694 0.000) 1.694 7.160 ( 0.000 1.694 0.000) 1.694 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 1.795 0.000 15.985) 16.086 0.350 ( -5.070 0.000 16.453) 17.217 0.646 ( 10.105 0.000 27.642) 29.431 0.901 ( -1.873 0.000 8.359) 8.567 0.913 ( 3.523 0.000 1.597) 3.868 0.988 ( -2.378 0.000 0.189) 2.386 1.047 ( -2.365 0.000 2.226) 3.248 1.074 ( -9.426 0.000 -0.885) 9.467 1.167 ( -8.187 0.000 2.246) 8.490 1.186 ( 1.816 0.000 2.904) 3.425 1.200 ( 3.751 0.000 4.040) 5.513 1.340 ( 2.181 0.000 -4.836) 5.305 1.445 ( 1.841 0.000 -2.850) 3.393 1.474 ( -1.757 0.000 -2.303) 2.897 1.503 ( -1.184 0.000 -2.821) 3.059 1.574 ( -0.147 0.000 0.801) 0.814 1.653 ( -1.678 0.000 0.016) 1.678 1.685 ( -0.352 0.000 -1.886) 1.919 1.719 ( -5.613 0.000 -5.511) 7.866 1.739 ( 2.732 0.000 2.005) 3.389 1.868 ( 2.810 0.000 -2.483) 3.749 1.891 ( 2.707 0.000 -7.902) 8.353 1.960 ( 7.142 0.000 4.433) 8.406 2.006 ( 0.747 0.000 4.821) 4.878 2.022 ( -0.837 0.000 1.520) 1.735 2.143 ( -1.285 0.000 2.178) 2.529 2.181 ( -3.065 0.000 -4.720) 5.628 2.207 ( -4.406 0.000 -1.317) 4.598 2.215 ( -2.871 0.000 1.353) 3.174 2.231 ( 0.337 0.000 3.135) 3.153 2.260 ( 2.233 0.000 0.299) 2.253 2.333 ( -1.111 0.000 1.974) 2.265 2.402 ( -4.343 0.000 -2.923) 5.235 2.468 ( 2.853 0.000 -0.050) 2.853 2.478 ( -3.213 0.000 -3.251) 4.571 2.509 ( 1.684 0.000 0.127) 1.689 2.547 ( -0.431 0.000 -1.298) 1.368 2.583 ( -3.278 0.000 0.181) 3.283 2.594 ( -8.890 0.000 -5.462) 10.433 2.627 ( -0.602 0.000 -2.207) 2.287 2.657 ( 2.226 0.000 -1.539) 2.706 2.675 ( -0.655 0.000 -1.232) 1.396 2.780 ( 1.939 0.000 1.534) 2.472 2.810 ( 2.570 0.000 1.195) 2.834 2.818 ( -0.045 0.000 -3.199) 3.199 2.852 ( -1.055 0.000 -2.163) 2.407 2.860 ( 0.505 0.000 -0.748) 0.902 2.942 ( 2.252 0.000 2.845) 3.629 3.003 ( -0.139 0.000 -3.454) 3.457 3.010 ( 0.384 0.000 -1.496) 1.544 3.097 ( 4.914 0.000 1.022) 5.019 3.127 ( 1.680 0.000 0.885) 1.899 3.186 ( 1.413 0.000 0.680) 1.568 3.212 ( 0.996 0.000 2.021) 2.253 3.342 ( 0.909 0.000 0.619) 1.100 3.447 ( -1.999 0.000 2.454) 3.165 3.457 ( 0.766 0.000 -1.244) 1.461 3.518 ( -1.714 0.000 -0.768) 1.878 3.526 ( -2.080 0.000 0.485) 2.136 3.560 ( -2.111 0.000 -0.245) 2.125 3.663 ( 0.257 0.000 0.714) 0.758 3.705 ( -0.471 0.000 5.521) 5.541 3.933 ( -2.555 0.000 -4.251) 4.960 3.997 ( -0.902 0.000 -0.623) 1.096 4.085 ( 0.494 0.000 -0.575) 0.758 4.101 ( 1.092 0.000 -2.284) 2.532 4.227 ( 2.231 0.000 2.563) 3.398 4.257 ( 2.439 0.000 6.107) 6.576 4.293 ( 2.158 0.000 2.364) 3.201 4.616 ( 5.227 0.000 -3.707) 6.408 4.710 ( 2.293 0.000 -0.616) 2.374 4.767 ( -0.603 0.000 -1.061) 1.220 5.779 ( -1.370 0.000 -0.070) 1.371 5.867 ( 16.544 0.000 -1.730) 16.634 6.831 ( 1.177 0.000 0.662) 1.351 6.874 ( -1.954 0.000 -0.716) 2.081 6.885 ( 1.110 0.000 -0.443) 1.195 6.946 ( -0.890 0.000 -1.080) 1.399 7.014 ( 2.318 0.000 2.865) 3.685 7.057 ( 1.058 0.000 0.929) 1.408 7.078 ( 1.150 0.000 -0.306) 1.190 7.182 ( -1.554 0.000 1.776) 2.360 7.228 ( -22.786 0.000 -0.463) 22.790 7.350 ( -0.534 0.000 -2.501) 2.558 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 8.287 0.000 11.543) 14.210 0.575 ( 7.279 0.000 12.567) 14.523 0.883 ( -2.117 0.000 5.082) 5.506 0.926 ( -0.789 0.000 0.352) 0.864 0.946 ( -2.996 0.000 1.720) 3.455 1.050 ( 5.737 0.000 1.067) 5.835 1.084 ( 3.007 0.000 2.931) 4.198 1.123 ( 7.786 0.000 8.311) 11.389 1.172 ( 2.849 0.000 9.729) 10.138 1.254 ( 1.793 0.000 5.445) 5.732 1.324 ( 4.229 0.000 5.623) 7.035 1.359 ( 3.072 0.000 -2.212) 3.785 1.372 ( -5.053 0.000 -2.764) 5.759 1.421 ( -5.060 0.000 -3.164) 5.968 1.458 ( 1.701 0.000 -4.930) 5.215 1.549 ( -5.353 0.000 -1.953) 5.699 1.552 ( -2.228 0.000 0.822) 2.375 1.639 ( 1.205 0.000 0.867) 1.485 1.706 ( 2.071 0.000 1.317) 2.455 1.804 ( 1.134 0.000 0.975) 1.496 1.847 ( -0.315 0.000 -4.752) 4.763 1.911 ( 3.471 0.000 -0.412) 3.495 1.978 ( -4.089 0.000 0.146) 4.091 2.012 ( -3.868 0.000 0.141) 3.871 2.069 ( -1.520 0.000 -3.975) 4.256 2.101 ( 1.776 0.000 2.527) 3.089 2.134 ( 0.062 0.000 1.368) 1.369 2.153 ( -1.274 0.000 1.057) 1.655 2.188 ( -1.751 0.000 1.566) 2.349 2.214 ( -3.752 0.000 0.267) 3.761 2.283 ( -6.049 0.000 -1.936) 6.351 2.291 ( -2.403 0.000 -0.325) 2.425 2.348 ( 2.671 0.000 2.136) 3.420 2.366 ( -7.387 0.000 -6.033) 9.538 2.415 ( -0.533 0.000 -2.662) 2.715 2.458 ( -1.562 0.000 -5.031) 5.268 2.485 ( -0.294 0.000 -1.877) 1.900 2.518 ( -2.972 0.000 3.255) 4.407 2.585 ( 1.287 0.000 -0.785) 1.507 2.647 ( 1.357 0.000 -2.215) 2.598 2.682 ( 4.453 0.000 -1.426) 4.676 2.701 ( 3.592 0.000 -0.634) 3.647 2.792 ( 0.477 0.000 -3.170) 3.206 2.795 ( -1.738 0.000 -3.520) 3.925 2.817 ( 1.290 0.000 0.555) 1.405 2.857 ( 1.614 0.000 -1.770) 2.395 2.899 ( 2.181 0.000 1.254) 2.515 2.955 ( 1.684 0.000 -0.675) 1.814 2.998 ( -0.283 0.000 0.514) 0.587 3.007 ( -0.518 0.000 -0.237) 0.570 3.164 ( 2.549 0.000 -3.692) 4.487 3.198 ( 3.095 0.000 2.420) 3.929 3.202 ( -0.956 0.000 0.672) 1.169 3.235 ( 0.733 0.000 1.229) 1.431 3.361 ( -0.051 0.000 0.227) 0.233 3.431 ( -1.782 0.000 2.392) 2.983 3.448 ( -2.375 0.000 -1.142) 2.635 3.471 ( -0.461 0.000 1.038) 1.136 3.498 ( 1.590 0.000 -2.151) 2.675 3.583 ( 1.555 0.000 3.538) 3.865 3.698 ( 1.563 0.000 -1.160) 1.946 3.737 ( -1.450 0.000 5.176) 5.376 3.849 ( -1.774 0.000 -3.694) 4.098 3.968 ( -0.936 0.000 -1.234) 1.548 4.095 ( 0.107 0.000 0.875) 0.882 4.105 ( 1.092 0.000 -1.528) 1.879 4.314 ( 3.026 0.000 3.321) 4.493 4.331 ( 0.965 0.000 3.157) 3.301 4.353 ( 2.321 0.000 1.970) 3.044 4.568 ( -4.709 0.000 -3.294) 5.746 4.690 ( -0.394 0.000 0.097) 0.406 4.737 ( -1.219 0.000 -1.292) 1.776 5.747 ( -1.574 0.000 -0.289) 1.600 6.049 ( 5.960 0.000 -6.559) 8.862 6.829 ( -1.648 0.000 -1.077) 1.968 6.858 ( -0.027 0.000 0.750) 0.751 6.912 ( 1.404 0.000 1.351) 1.948 6.930 ( 0.067 0.000 -1.037) 1.039 6.982 ( -3.804 0.000 2.759) 4.699 7.069 ( -1.189 0.000 -0.126) 1.196 7.077 ( 1.074 0.000 2.788) 2.988 7.095 ( 0.165 0.000 2.994) 2.999 7.192 ( 0.517 0.000 1.935) 2.002 7.294 ( -2.699 0.000 -3.249) 4.223 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 6.688 0.000 5.633) 8.744 0.769 ( 2.561 0.000 6.385) 6.879 0.882 ( 0.647 0.000 4.374) 4.422 0.915 ( -1.681 0.000 0.468) 1.745 0.944 ( 3.242 0.000 -0.350) 3.261 1.127 ( -0.220 0.000 0.825) 0.854 1.133 ( -3.619 0.000 -3.280) 4.884 1.159 ( 3.602 0.000 -1.099) 3.766 1.221 ( 0.336 0.000 3.306) 3.323 1.253 ( -2.355 0.000 -2.765) 3.632 1.287 ( -4.550 0.000 -1.190) 4.703 1.394 ( 2.005 0.000 -2.242) 3.008 1.418 ( -1.462 0.000 -2.390) 2.802 1.437 ( 1.932 0.000 3.899) 4.352 1.476 ( 4.349 0.000 5.671) 7.147 1.499 ( 0.106 0.000 3.843) 3.845 1.558 ( 0.765 0.000 2.480) 2.595 1.702 ( 1.293 0.000 -0.310) 1.329 1.703 ( -3.579 0.000 0.147) 3.582 1.777 ( -0.371 0.000 -2.515) 2.542 1.860 ( 1.317 0.000 -0.334) 1.359 1.877 ( -3.283 0.000 -5.446) 6.359 1.948 ( -1.785 0.000 -1.158) 2.127 1.977 ( -1.631 0.000 3.709) 4.052 2.042 ( -4.629 0.000 -4.153) 6.219 2.053 ( -2.424 0.000 -1.681) 2.950 2.082 ( 1.777 0.000 1.219) 2.155 2.145 ( -3.644 0.000 -1.456) 3.924 2.182 ( 0.778 0.000 3.274) 3.365 2.183 ( -0.221 0.000 1.473) 1.489 2.221 ( -1.758 0.000 3.168) 3.623 2.233 ( -0.314 0.000 1.243) 1.282 2.290 ( 1.039 0.000 2.547) 2.750 2.373 ( 0.835 0.000 2.685) 2.812 2.397 ( -0.060 0.000 -0.091) 0.109 2.460 ( 1.482 0.000 -0.015) 1.482 2.478 ( 1.304 0.000 -2.923) 3.201 2.526 ( -0.815 0.000 4.394) 4.469 2.576 ( -0.500 0.000 -0.375) 0.625 2.650 ( 2.297 0.000 -1.972) 3.027 2.726 ( -1.176 0.000 -0.609) 1.325 2.758 ( 3.098 0.000 -0.756) 3.189 2.763 ( -0.343 0.000 -3.151) 3.170 2.801 ( 6.154 0.000 -0.855) 6.213 2.829 ( 0.884 0.000 -3.148) 3.270 2.864 ( 0.254 0.000 -0.617) 0.667 2.934 ( 0.470 0.000 0.776) 0.907 2.966 ( -3.719 0.000 -0.528) 3.757 2.975 ( -0.611 0.000 -1.586) 1.699 3.013 ( 1.946 0.000 0.533) 2.017 3.145 ( 0.455 0.000 -3.985) 4.011 3.171 ( -1.696 0.000 -0.675) 1.825 3.231 ( -1.794 0.000 3.054) 3.542 3.254 ( 0.855 0.000 -1.604) 1.818 3.372 ( 2.026 0.000 -0.436) 2.072 3.415 ( -0.140 0.000 -0.144) 0.201 3.423 ( -1.155 0.000 1.083) 1.583 3.477 ( -0.588 0.000 1.704) 1.803 3.527 ( 3.015 0.000 -1.927) 3.578 3.671 ( 3.252 0.000 5.272) 6.195 3.685 ( -0.708 0.000 -3.033) 3.114 3.728 ( -3.270 0.000 2.183) 3.931 3.822 ( 0.695 0.000 -0.132) 0.708 3.950 ( -0.090 0.000 -0.396) 0.406 4.099 ( -0.580 0.000 1.238) 1.367 4.117 ( 1.056 0.000 -0.273) 1.090 4.349 ( 0.124 0.000 -1.058) 1.065 4.360 ( 0.126 0.000 0.759) 0.770 4.407 ( 1.353 0.000 0.683) 1.515 4.443 ( -4.871 0.000 -3.916) 6.250 4.696 ( 0.497 0.000 -0.037) 0.499 4.710 ( -0.451 0.000 -0.696) 0.829 5.727 ( -0.653 0.000 0.928) 1.134 6.044 ( -0.362 0.000 -3.518) 3.536 6.804 ( -0.306 0.000 -0.178) 0.354 6.851 ( 0.149 0.000 -1.219) 1.228 6.927 ( 0.729 0.000 -1.442) 1.616 6.942 ( 0.844 0.000 0.864) 1.208 7.018 ( 2.725 0.000 1.455) 3.089 7.034 ( -1.458 0.000 -1.066) 1.806 7.107 ( -0.499 0.000 2.031) 2.091 7.129 ( 0.635 0.000 3.644) 3.699 7.208 ( -3.073 0.000 -2.611) 4.032 7.222 ( 0.236 0.000 2.800) 2.810 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -6.769 0.000 0.042) 6.769 0.798 ( -1.916 0.000 1.581) 2.484 0.833 ( -7.132 0.000 -2.482) 7.552 0.940 ( -3.095 0.000 -4.782) 5.696 1.021 ( 2.955 0.000 1.125) 3.162 1.070 ( -1.008 0.000 3.047) 3.209 1.131 ( 2.038 0.000 2.037) 2.881 1.188 ( 1.617 0.000 0.021) 1.617 1.201 ( 0.180 0.000 0.861) 0.880 1.287 ( 3.297 0.000 0.728) 3.376 1.308 ( -1.029 0.000 2.878) 3.057 1.373 ( 0.328 0.000 0.629) 0.709 1.378 ( -1.281 0.000 2.107) 2.466 1.431 ( -7.640 0.000 -5.364) 9.335 1.464 ( -1.405 0.000 -0.927) 1.683 1.505 ( -3.316 0.000 0.809) 3.413 1.585 ( -0.472 0.000 0.953) 1.063 1.688 ( 1.710 0.000 -3.502) 3.897 1.710 ( -3.158 0.000 -4.255) 5.299 1.728 ( 4.536 0.000 4.959) 6.720 1.786 ( 0.675 0.000 -5.482) 5.523 1.811 ( -2.288 0.000 -5.886) 6.315 1.894 ( -3.914 0.000 -0.136) 3.917 1.936 ( 1.240 0.000 -0.948) 1.561 1.993 ( 3.119 0.000 -4.061) 5.121 2.037 ( -1.412 0.000 -1.241) 1.880 2.111 ( 0.221 0.000 2.178) 2.189 2.141 ( 1.233 0.000 3.217) 3.445 2.216 ( -0.217 0.000 3.616) 3.623 2.221 ( 0.211 0.000 1.934) 1.946 2.267 ( 1.128 0.000 2.726) 2.950 2.284 ( 3.200 0.000 10.309) 10.795 2.375 ( 1.792 0.000 5.953) 6.217 2.418 ( 1.735 0.000 1.607) 2.365 2.440 ( -1.479 0.000 -1.244) 1.933 2.472 ( 1.161 0.000 -3.883) 4.052 2.497 ( 1.978 0.000 7.908) 8.151 2.551 ( 1.075 0.000 4.893) 5.009 2.585 ( 1.065 0.000 1.620) 1.938 2.698 ( 2.348 0.000 1.139) 2.609 2.719 ( 1.421 0.000 0.049) 1.422 2.731 ( 0.113 0.000 -3.273) 3.275 2.783 ( -1.193 0.000 -6.081) 6.196 2.807 ( 2.307 0.000 -0.566) 2.375 2.829 ( -3.302 0.000 -2.386) 4.074 2.860 ( 0.095 0.000 -0.039) 0.103 2.935 ( -0.950 0.000 0.465) 1.057 2.945 ( -0.277 0.000 -1.502) 1.527 2.952 ( 4.368 0.000 0.504) 4.397 2.997 ( -2.842 0.000 -2.662) 3.894 3.135 ( 1.854 0.000 -2.877) 3.423 3.143 ( -0.501 0.000 -2.112) 2.171 3.240 ( -0.837 0.000 4.706) 4.780 3.244 ( 0.742 0.000 -3.044) 3.134 3.382 ( -0.355 0.000 -1.515) 1.556 3.425 ( 0.581 0.000 0.640) 0.864 3.431 ( 1.257 0.000 0.703) 1.440 3.480 ( -0.776 0.000 1.558) 1.741 3.565 ( 2.598 0.000 -1.381) 2.943 3.613 ( -4.206 0.000 -0.975) 4.318 3.663 ( -4.007 0.000 0.047) 4.007 3.789 ( 4.589 0.000 3.550) 5.802 3.869 ( 2.262 0.000 3.969) 4.568 3.957 ( 0.283 0.000 1.524) 1.550 4.104 ( -0.151 0.000 1.781) 1.787 4.129 ( 0.622 0.000 -1.158) 1.314 4.311 ( -1.335 0.000 -7.627) 7.743 4.329 ( -2.825 0.000 -4.092) 4.972 4.338 ( -2.162 0.000 -1.465) 2.612 4.397 ( -1.712 0.000 -2.151) 2.750 4.701 ( -0.070 0.000 0.195) 0.207 4.713 ( 0.810 0.000 0.501) 0.953 5.740 ( 0.340 0.000 2.283) 2.308 5.994 ( -1.383 0.000 -3.864) 4.104 6.816 ( 1.082 0.000 1.140) 1.571 6.844 ( 0.455 0.000 -1.885) 1.939 6.931 ( 0.940 0.000 -1.379) 1.669 6.963 ( 0.870 0.000 -0.150) 0.883 7.004 ( -0.221 0.000 -1.615) 1.631 7.025 ( -2.275 0.000 -1.628) 2.797 7.095 ( -1.899 0.000 0.464) 1.955 7.181 ( -0.757 0.000 6.863) 6.904 7.196 ( 4.382 0.000 0.030) 4.383 7.242 ( -1.080 0.000 3.249) 3.424 ======================= Grid point 39 (17/60) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -13.173 0.000 0.992) 13.210 0.582 ( -14.348 0.000 -6.690) 15.831 0.788 ( -2.729 0.000 2.479) 3.687 0.858 ( -0.740 0.000 -4.044) 4.111 0.957 ( -14.140 0.000 1.807) 14.255 1.077 ( -0.294 0.000 -0.341) 0.450 1.142 ( -3.643 0.000 2.536) 4.439 1.157 ( -1.857 0.000 6.870) 7.117 1.171 ( -1.394 0.000 -3.179) 3.471 1.252 ( -3.436 0.000 -0.049) 3.436 1.271 ( -8.757 0.000 4.399) 9.800 1.385 ( 5.742 0.000 0.439) 5.758 1.415 ( 0.821 0.000 -3.227) 3.330 1.466 ( 3.682 0.000 3.981) 5.423 1.468 ( 4.485 0.000 1.246) 4.655 1.490 ( 4.016 0.000 0.808) 4.096 1.556 ( -0.598 0.000 -4.234) 4.276 1.621 ( -1.412 0.000 -3.094) 3.401 1.711 ( 2.796 0.000 0.614) 2.863 1.737 ( -0.061 0.000 -4.657) 4.657 1.819 ( 4.283 0.000 -0.557) 4.319 1.848 ( 3.170 0.000 1.015) 3.329 1.870 ( 1.481 0.000 -2.179) 2.635 1.970 ( 2.706 0.000 -1.227) 2.972 2.012 ( 0.366 0.000 -2.425) 2.452 2.021 ( 3.558 0.000 -1.445) 3.841 2.137 ( -0.265 0.000 3.531) 3.541 2.209 ( 2.727 0.000 2.473) 3.681 2.216 ( -1.750 0.000 1.245) 2.148 2.262 ( 1.588 0.000 4.502) 4.774 2.304 ( 0.582 0.000 0.550) 0.801 2.387 ( -2.817 0.000 -0.846) 2.941 2.415 ( -1.988 0.000 2.949) 3.556 2.432 ( 0.560 0.000 6.504) 6.528 2.452 ( 1.608 0.000 -0.243) 1.626 2.477 ( 2.355 0.000 2.279) 3.277 2.531 ( 0.709 0.000 3.245) 3.322 2.632 ( 0.621 0.000 2.597) 2.670 2.633 ( 0.619 0.000 3.447) 3.502 2.689 ( -0.448 0.000 -3.742) 3.768 2.724 ( -0.915 0.000 0.186) 0.933 2.725 ( 0.146 0.000 -4.232) 4.235 2.779 ( 4.058 0.000 0.183) 4.062 2.809 ( -0.700 0.000 -2.223) 2.331 2.810 ( 0.911 0.000 4.193) 4.290 2.873 ( 1.035 0.000 -0.724) 1.263 2.903 ( -3.595 0.000 -2.500) 4.378 2.908 ( -1.991 0.000 0.325) 2.018 2.955 ( 2.034 0.000 -0.143) 2.039 3.004 ( 1.113 0.000 -2.190) 2.457 3.100 ( -0.382 0.000 -4.779) 4.795 3.156 ( 1.785 0.000 -1.519) 2.343 3.225 ( 0.385 0.000 -4.924) 4.939 3.242 ( -2.725 0.000 2.000) 3.380 3.366 ( 0.384 0.000 -2.380) 2.411 3.433 ( -0.465 0.000 2.460) 2.503 3.456 ( 0.899 0.000 -1.068) 1.396 3.482 ( 0.156 0.000 2.382) 2.387 3.550 ( -2.457 0.000 2.040) 3.193 3.590 ( -1.801 0.000 2.300) 2.922 3.619 ( 0.474 0.000 0.287) 0.554 3.896 ( 4.026 0.000 2.477) 4.727 3.954 ( 2.163 0.000 4.289) 4.803 3.990 ( 0.633 0.000 4.465) 4.510 4.120 ( 0.455 0.000 -2.632) 2.671 4.127 ( 0.643 0.000 0.072) 0.647 4.188 ( -2.605 0.000 -8.074) 8.483 4.239 ( -2.571 0.000 -6.381) 6.880 4.264 ( -3.253 0.000 -2.665) 4.206 4.324 ( -2.923 0.000 -3.423) 4.501 4.697 ( -0.917 0.000 0.930) 1.306 4.742 ( 1.405 0.000 0.975) 1.710 5.771 ( 0.488 0.000 2.355) 2.405 5.920 ( -2.321 0.000 -5.937) 6.375 6.834 ( 0.109 0.000 -1.465) 1.469 6.858 ( 1.728 0.000 2.048) 2.679 6.931 ( -2.741 0.000 -2.071) 3.435 6.934 ( 0.363 0.000 -0.381) 0.526 7.001 ( 1.521 0.000 -0.991) 1.815 7.003 ( 1.764 0.000 -2.027) 2.687 7.052 ( -2.399 0.000 -0.571) 2.466 7.237 ( -2.385 0.000 2.842) 3.710 7.267 ( 1.513 0.000 10.618) 10.725 7.284 ( 4.551 0.000 0.426) 4.570 ======================= Grid point 40 (18/60) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( -10.393 0.000 9.809) 14.291 0.338 ( -12.789 0.000 8.323) 15.259 0.579 ( -20.072 0.000 12.071) 23.422 0.848 ( 2.268 0.000 -1.106) 2.523 0.869 ( -1.983 0.000 7.236) 7.503 1.068 ( -4.909 0.000 -0.962) 5.003 1.086 ( 1.943 0.000 -1.066) 2.216 1.115 ( -5.016 0.000 3.192) 5.945 1.152 ( -3.060 0.000 0.564) 3.111 1.164 ( -0.679 0.000 -0.718) 0.988 1.317 ( 3.063 0.000 10.143) 10.595 1.370 ( -0.160 0.000 -5.605) 5.607 1.471 ( 2.393 0.000 -1.559) 2.856 1.486 ( -2.080 0.000 -6.871) 7.179 1.522 ( 1.724 0.000 -1.925) 2.584 1.545 ( 1.289 0.000 3.508) 3.737 1.606 ( 4.081 0.000 1.058) 4.216 1.650 ( 4.727 0.000 0.687) 4.777 1.723 ( -0.065 0.000 -0.166) 0.179 1.797 ( 3.848 0.000 0.884) 3.948 1.858 ( 0.984 0.000 -6.306) 6.382 1.879 ( 3.329 0.000 -3.965) 5.177 1.879 ( 1.831 0.000 -2.022) 2.728 1.977 ( 0.621 0.000 -1.617) 1.732 2.007 ( 0.624 0.000 0.071) 0.628 2.129 ( 5.300 0.000 3.176) 6.179 2.150 ( -1.703 0.000 2.719) 3.208 2.217 ( 0.544 0.000 2.397) 2.458 2.244 ( -0.570 0.000 0.099) 0.579 2.279 ( -3.252 0.000 -0.016) 3.252 2.294 ( -2.750 0.000 0.390) 2.778 2.332 ( -0.019 0.000 -2.091) 2.091 2.424 ( 0.326 0.000 2.275) 2.298 2.434 ( 2.667 0.000 -1.058) 2.870 2.493 ( -0.096 0.000 0.167) 0.192 2.548 ( -0.900 0.000 1.928) 2.128 2.584 ( 2.468 0.000 0.295) 2.485 2.603 ( -3.249 0.000 0.008) 3.249 2.653 ( -1.078 0.000 -2.907) 3.100 2.654 ( -1.472 0.000 0.204) 1.486 2.695 ( -1.475 0.000 1.675) 2.232 2.729 ( 2.301 0.000 0.111) 2.304 2.782 ( 0.193 0.000 -1.092) 1.109 2.794 ( -5.245 0.000 -1.668) 5.504 2.836 ( -0.161 0.000 -2.038) 2.044 2.855 ( 2.546 0.000 -0.290) 2.562 2.881 ( 0.753 0.000 0.077) 0.757 2.884 ( -1.017 0.000 0.694) 1.231 2.981 ( -0.132 0.000 -1.019) 1.027 3.002 ( 1.666 0.000 1.205) 2.056 3.091 ( 3.424 0.000 -3.230) 4.707 3.139 ( -2.737 0.000 -7.069) 7.580 3.176 ( 0.213 0.000 -0.028) 0.215 3.195 ( -2.517 0.000 -0.128) 2.521 3.345 ( -0.283 0.000 -2.149) 2.168 3.452 ( -1.335 0.000 4.009) 4.225 3.459 ( 0.400 0.000 -1.006) 1.082 3.516 ( 0.714 0.000 1.883) 2.014 3.553 ( 1.003 0.000 1.237) 1.592 3.554 ( -2.470 0.000 0.935) 2.641 3.660 ( 0.754 0.000 3.990) 4.060 3.867 ( -8.480 0.000 -16.625) 18.663 3.987 ( -0.726 0.000 -0.479) 0.870 3.996 ( 0.493 0.000 0.143) 0.513 4.098 ( 0.319 0.000 0.773) 0.837 4.111 ( 0.707 0.000 -2.502) 2.600 4.156 ( 1.093 0.000 3.403) 3.574 4.206 ( -0.765 0.000 -0.563) 0.950 4.260 ( -0.694 0.000 -0.780) 1.044 4.294 ( 10.174 0.000 13.690) 17.056 4.686 ( -1.280 0.000 1.557) 2.016 4.770 ( 0.786 0.000 0.052) 0.788 5.790 ( -0.306 0.000 1.219) 1.256 5.798 ( -4.846 0.000 -4.476) 6.597 6.823 ( -0.202 0.000 -0.563) 0.598 6.884 ( -0.370 0.000 -1.394) 1.442 6.895 ( -0.099 0.000 1.117) 1.121 6.952 ( 1.734 0.000 1.373) 2.212 6.987 ( -2.003 0.000 -1.616) 2.574 7.026 ( 1.669 0.000 -0.198) 1.681 7.044 ( 2.400 0.000 -0.811) 2.534 7.209 ( -2.829 0.000 2.193) 3.580 7.343 ( 2.551 0.000 -1.169) 2.806 7.427 ( 4.252 0.000 5.457) 6.917 ======================= Grid point 41 (19/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -2.778 7.480 11.877) 14.308 0.486 ( 2.765 9.508 11.557) 15.219 0.774 ( 1.399 6.748 11.934) 13.781 0.872 ( 1.572 -4.089 3.887) 5.856 0.890 ( 2.827 -4.224 8.315) 9.745 0.912 ( -1.001 -1.371 4.335) 4.656 0.942 ( -1.122 -2.752 4.084) 5.051 1.011 ( -6.543 -3.771 4.492) 8.787 1.038 ( 1.533 -6.398 5.722) 8.719 1.262 ( 0.075 5.282 0.137) 5.284 1.316 ( 1.076 3.021 0.224) 3.214 1.330 ( 1.660 -0.194 -1.605) 2.317 1.399 ( -0.995 -4.344 -0.853) 4.537 1.450 ( -1.161 -2.871 -1.919) 3.643 1.512 ( 0.018 -0.154 -2.556) 2.560 1.527 ( -1.281 -2.782 -0.874) 3.185 1.644 ( 0.138 -0.921 -2.607) 2.768 1.699 ( -3.546 -1.950 -3.440) 5.311 1.718 ( 1.698 2.997 -1.421) 3.726 1.772 ( 1.967 1.610 -0.027) 2.542 1.849 ( 2.423 -1.436 -5.792) 6.441 1.878 ( 1.782 -2.161 -2.480) 3.741 1.955 ( 4.007 1.695 1.287) 4.537 2.031 ( -0.866 1.929 2.449) 3.236 2.036 ( 1.941 0.902 2.667) 3.419 2.142 ( -0.804 -1.846 0.681) 2.125 2.162 ( -2.140 0.927 2.915) 3.733 2.210 ( -3.994 0.812 -0.784) 4.151 2.235 ( -2.712 0.712 -1.451) 3.157 2.265 ( -1.440 4.667 -0.853) 4.958 2.335 ( -0.737 -0.389 -2.521) 2.655 2.340 ( 1.215 1.723 2.742) 3.458 2.396 ( -2.707 2.656 -0.114) 3.794 2.448 ( -1.335 -2.084 -0.429) 2.511 2.462 ( -1.143 -2.661 -0.816) 3.008 2.492 ( -1.926 -1.341 -0.942) 2.529 2.531 ( 0.685 -2.357 -1.672) 2.970 2.574 ( -2.156 -0.677 -6.159) 6.561 2.584 ( -5.135 -0.784 -3.174) 6.088 2.663 ( 1.556 -0.319 0.028) 1.589 2.677 ( -0.781 4.109 0.225) 4.189 2.684 ( 0.633 -2.140 -1.727) 2.822 2.748 ( 0.915 2.480 -3.389) 4.298 2.809 ( 0.091 0.223 -3.198) 3.207 2.820 ( 1.996 -0.694 -1.823) 2.791 2.891 ( 1.562 3.607 -2.557) 4.690 2.931 ( -0.629 2.008 -0.468) 2.156 2.965 ( 1.897 1.543 2.828) 3.739 2.983 ( 0.713 -0.931 -2.932) 3.158 3.024 ( -0.244 0.846 -1.664) 1.883 3.118 ( 0.416 1.350 -1.335) 1.944 3.131 ( 4.310 0.535 -0.151) 4.346 3.182 ( -0.137 -0.210 0.401) 0.473 3.206 ( -1.975 -0.518 -0.090) 2.044 3.368 ( 0.483 2.032 0.675) 2.195 3.415 ( -1.719 -0.832 1.074) 2.191 3.462 ( 0.504 0.547 -0.947) 1.204 3.511 ( -1.480 -0.317 0.500) 1.594 3.524 ( -0.220 -0.763 0.451) 0.913 3.568 ( 1.952 -1.165 1.062) 2.509 3.663 ( -3.049 0.745 0.850) 3.251 3.700 ( -0.887 -0.557 4.059) 4.192 3.957 ( -0.299 2.346 -2.274) 3.281 4.034 ( -1.323 3.043 -1.181) 3.523 4.065 ( 1.797 -1.612 -0.516) 2.469 4.115 ( -0.652 0.501 -1.205) 1.459 4.240 ( 2.766 0.686 3.135) 4.237 4.258 ( 1.595 0.766 4.213) 4.569 4.282 ( 2.761 -1.060 3.614) 4.670 4.456 ( 5.289 -11.204 4.223) 13.090 4.690 ( -0.563 0.545 0.652) 1.019 4.751 ( -0.603 -1.487 -0.982) 1.881 5.777 ( -0.777 -0.098 0.224) 0.814 5.808 ( 5.427 -2.640 1.665) 6.261 6.834 ( 0.690 0.348 0.233) 0.808 6.856 ( -1.315 -0.757 -1.135) 1.894 6.904 ( 1.440 1.100 0.144) 1.818 6.937 ( -0.240 -0.517 -0.473) 0.741 7.016 ( 0.121 0.967 1.837) 2.079 7.066 ( 0.539 -0.760 0.544) 1.079 7.072 ( 1.354 0.661 0.861) 1.735 7.145 ( -1.458 -2.395 1.374) 3.122 7.358 ( -7.304 4.862 -5.440) 10.324 7.374 ( -2.493 2.224 -3.627) 4.931 ======================= Grid point 42 (20/60) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 6.458 3.284 9.966) 12.321 0.668 ( 6.302 7.891 8.774) 13.378 0.828 ( 1.044 -6.838 2.284) 7.285 0.897 ( -2.513 -0.463 2.425) 3.522 0.927 ( -1.598 -1.929 1.077) 2.727 0.978 ( 2.511 -5.687 3.602) 7.184 1.014 ( 4.079 -2.759 4.228) 6.491 1.136 ( 2.667 -5.822 4.900) 8.064 1.170 ( 6.121 2.289 10.981) 12.779 1.259 ( -2.509 2.541 3.105) 4.732 1.334 ( -0.190 -3.596 -3.789) 5.227 1.355 ( -1.060 -2.556 -0.030) 2.767 1.385 ( 1.167 1.420 1.861) 2.616 1.397 ( 0.387 2.318 -2.437) 3.386 1.452 ( -0.618 2.465 -2.184) 3.351 1.515 ( 0.224 -0.913 0.303) 0.988 1.624 ( -0.173 0.146 -0.586) 0.628 1.665 ( -0.038 1.615 1.707) 2.350 1.721 ( 0.217 3.838 0.667) 3.902 1.810 ( 2.274 0.191 -0.865) 2.440 1.834 ( -0.127 -1.024 -4.460) 4.578 1.883 ( 0.633 -1.598 1.734) 2.442 1.995 ( -2.799 1.577 0.204) 3.219 2.033 ( -1.098 -1.164 3.751) 4.078 2.059 ( -2.661 -0.551 -2.397) 3.624 2.091 ( 0.758 -0.552 1.253) 1.565 2.130 ( -3.005 -0.278 2.178) 3.722 2.159 ( -1.963 0.305 0.380) 2.022 2.190 ( -1.706 -0.031 -0.991) 1.973 2.219 ( -1.627 2.574 -2.084) 3.690 2.265 ( -4.153 -0.160 -0.757) 4.225 2.332 ( -2.196 2.812 -0.983) 3.701 2.371 ( -2.497 0.231 0.193) 2.515 2.377 ( -3.721 -0.417 -5.968) 7.046 2.427 ( -0.913 1.641 -3.529) 3.997 2.446 ( 0.115 1.629 -1.017) 1.924 2.489 ( 0.885 -1.776 -1.562) 2.525 2.531 ( 1.434 -1.903 -0.773) 2.505 2.555 ( 0.305 -0.648 0.437) 0.839 2.636 ( -1.180 2.863 -0.048) 3.097 2.692 ( 1.175 -3.497 0.432) 3.715 2.726 ( 0.692 -0.635 -5.060) 5.146 2.746 ( 2.971 1.125 0.017) 3.177 2.784 ( 0.693 0.638 -2.777) 2.932 2.824 ( 0.115 -0.279 -0.028) 0.303 2.886 ( 0.288 2.375 -3.027) 3.858 2.905 ( -0.570 -0.146 -1.908) 1.997 2.940 ( -0.579 -1.509 -1.118) 1.965 3.004 ( -0.144 0.126 1.530) 1.542 3.059 ( 2.659 2.604 -1.282) 3.936 3.101 ( 0.737 -1.365 -1.651) 2.265 3.168 ( -0.496 -2.795 0.671) 2.917 3.217 ( 1.509 -0.501 0.188) 1.601 3.258 ( 5.962 1.223 -0.772) 6.135 3.371 ( -1.162 0.968 1.093) 1.866 3.409 ( 0.264 0.386 0.415) 0.625 3.429 ( -1.958 -1.344 -0.887) 2.535 3.505 ( -1.138 1.310 1.190) 2.104 3.531 ( 0.811 0.514 0.116) 0.967 3.593 ( 0.764 2.625 1.299) 3.027 3.648 ( -0.911 -2.798 1.565) 3.333 3.721 ( -1.128 -1.949 4.222) 4.785 3.927 ( 0.115 5.671 -2.679) 6.273 3.999 ( -1.083 2.962 -0.848) 3.266 4.091 ( 1.332 -1.293 -1.385) 2.316 4.105 ( -0.321 0.259 0.859) 0.953 4.306 ( 1.323 0.042 2.719) 3.024 4.341 ( 2.684 0.786 3.269) 4.302 4.350 ( 2.107 -0.429 1.829) 2.823 4.490 ( -1.904 -6.761 -0.366) 7.033 4.685 ( -0.041 -0.012 -0.030) 0.052 4.723 ( -1.078 -1.239 -1.181) 2.023 5.758 ( -1.043 1.242 0.029) 1.622 5.922 ( 4.282 -8.349 -0.615) 9.403 6.833 ( 0.637 0.369 -1.614) 1.774 6.866 ( 1.308 -0.651 0.530) 1.555 6.935 ( 1.466 1.526 -0.336) 2.142 6.939 ( 0.919 0.769 -0.440) 1.276 7.002 ( -2.891 1.365 1.541) 3.549 7.055 ( -1.486 -1.230 -0.051) 1.930 7.103 ( 0.581 0.907 2.674) 2.883 7.152 ( -0.155 2.391 0.009) 2.396 7.190 ( -3.302 3.125 0.755) 4.608 7.298 ( -3.609 0.071 -3.373) 4.940 ======================= Grid point 43 (21/60) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 6.446 -0.219 4.693) 7.977 0.823 ( 2.819 4.267 3.638) 6.276 0.866 ( -0.796 -1.435 2.422) 2.926 0.872 ( 0.554 -2.548 -0.634) 2.684 0.926 ( 1.076 -2.208 2.556) 3.545 1.038 ( -0.389 -4.880 1.814) 5.221 1.119 ( 1.858 -1.562 3.367) 4.150 1.168 ( -3.082 -2.427 0.451) 3.948 1.203 ( -0.688 -0.495 0.854) 1.203 1.222 ( 0.249 -0.538 -3.782) 3.828 1.281 ( -0.329 -5.001 -1.879) 5.352 1.306 ( -0.496 -2.785 -1.717) 3.309 1.417 ( 0.733 1.121 0.012) 1.339 1.438 ( 1.636 0.339 1.276) 2.102 1.512 ( 2.553 2.394 3.756) 5.134 1.562 ( 1.305 -0.077 -0.205) 1.323 1.601 ( -0.521 5.153 1.911) 5.520 1.697 ( -1.494 -1.021 1.364) 2.266 1.712 ( -1.047 1.955 -2.515) 3.353 1.780 ( -2.605 1.465 -0.186) 2.995 1.828 ( 0.124 -2.181 -2.452) 3.284 1.862 ( -2.185 -2.012 -2.538) 3.907 1.966 ( -4.404 1.703 3.507) 5.881 2.012 ( -2.902 0.951 -3.661) 4.767 2.027 ( -1.957 0.308 2.310) 3.043 2.067 ( 1.412 0.491 2.212) 2.669 2.094 ( -1.689 1.035 -2.771) 3.406 2.134 ( -0.936 -1.768 -0.907) 2.196 2.179 ( -0.151 1.544 0.213) 1.566 2.202 ( 0.162 0.860 4.093) 4.186 2.225 ( 0.182 2.235 2.402) 3.286 2.287 ( 0.758 -1.337 2.026) 2.543 2.303 ( -0.068 4.144 0.921) 4.246 2.371 ( -0.414 1.328 2.983) 3.291 2.402 ( 0.297 0.962 0.530) 1.138 2.456 ( 0.969 1.234 -1.794) 2.383 2.496 ( 0.921 -1.379 -0.266) 1.679 2.557 ( 1.101 -2.438 0.261) 2.688 2.563 ( 0.619 0.065 -0.511) 0.805 2.633 ( 0.966 2.634 0.024) 2.806 2.697 ( -0.131 0.307 -1.988) 2.016 2.729 ( 1.991 -3.790 -0.987) 4.393 2.750 ( -0.317 -3.885 -1.475) 4.168 2.779 ( 1.047 -0.682 -2.076) 2.423 2.863 ( 1.211 1.135 -0.740) 1.817 2.873 ( 1.981 0.868 2.273) 3.138 2.888 ( 0.048 0.584 -2.861) 2.921 2.932 ( 0.240 -3.080 -1.040) 3.259 2.975 ( -3.802 0.827 -0.222) 3.898 3.066 ( 1.294 -2.221 -1.792) 3.133 3.107 ( -0.619 0.382 -0.438) 0.849 3.170 ( 0.054 -1.673 -1.185) 2.051 3.229 ( 1.721 3.218 -2.113) 4.217 3.314 ( 0.892 2.787 -2.029) 3.561 3.351 ( 0.445 -0.692 -2.061) 2.219 3.411 ( 0.228 -0.770 1.079) 1.345 3.439 ( 1.005 0.676 2.240) 2.546 3.492 ( -1.562 0.182 2.067) 2.597 3.541 ( 1.036 1.050 -1.793) 2.322 3.632 ( 1.372 -0.052 -0.117) 1.378 3.650 ( -0.688 -2.260 5.430) 5.921 3.723 ( -2.085 -1.430 2.725) 3.718 3.915 ( 0.731 6.561 -2.739) 7.147 3.985 ( -0.078 3.148 0.495) 3.188 4.101 ( -0.230 -0.515 0.440) 0.715 4.102 ( 0.444 -1.448 -0.803) 1.714 4.333 ( 0.062 -0.795 0.114) 0.806 4.359 ( -0.781 -0.722 -0.703) 1.275 4.409 ( 1.216 0.169 0.482) 1.319 4.431 ( -2.419 -0.982 -2.167) 3.393 4.688 ( 0.341 -0.594 -0.161) 0.703 4.700 ( -0.384 -0.905 -0.637) 1.171 5.747 ( -0.484 2.119 0.898) 2.352 5.950 ( 0.274 -7.479 -1.278) 7.593 6.841 ( 1.472 1.347 -1.308) 2.386 6.875 ( -0.531 1.530 -0.276) 1.643 6.923 ( -0.611 1.552 -0.742) 1.825 6.958 ( 1.293 1.305 -0.461) 1.894 7.019 ( 2.498 -0.173 0.726) 2.607 7.025 ( -0.923 -1.013 -0.907) 1.644 7.114 ( -1.407 1.008 0.613) 1.836 7.150 ( 0.143 1.720 3.053) 3.507 7.194 ( -2.826 -1.379 -1.442) 3.460 7.214 ( -0.493 -0.773 2.664) 2.817 ======================= Grid point 44 (22/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -4.921 -1.233 -0.744) 5.127 0.817 ( -5.252 2.401 -0.349) 5.785 0.833 ( -1.900 1.069 -0.797) 2.321 0.880 ( -1.504 -3.238 -2.492) 4.354 0.990 ( 1.928 -2.230 3.541) 4.608 1.030 ( -1.988 -2.159 0.133) 2.938 1.112 ( -2.492 -1.655 1.279) 3.253 1.160 ( -0.900 -2.448 -0.795) 2.727 1.178 ( -0.383 -2.472 -0.006) 2.502 1.224 ( 1.849 -2.894 -2.093) 4.022 1.293 ( 1.637 -2.370 3.401) 4.457 1.342 ( 2.390 -4.651 1.149) 5.354 1.420 ( -0.488 1.009 1.937) 2.237 1.470 ( -3.088 3.641 0.490) 4.799 1.484 ( -1.774 1.057 -1.592) 2.608 1.521 ( -2.688 4.907 -4.072) 6.921 1.621 ( -2.426 2.253 1.048) 3.473 1.660 ( 0.039 -1.973 -1.195) 2.307 1.679 ( -0.766 -1.517 -3.099) 3.535 1.753 ( 1.560 0.344 1.042) 1.908 1.800 ( 0.819 0.150 -3.772) 3.862 1.806 ( 0.661 -0.604 -1.950) 2.146 1.879 ( -3.516 0.231 -3.384) 4.885 1.941 ( -1.957 0.358 -0.983) 2.219 1.975 ( 1.032 0.339 -3.845) 3.996 2.068 ( -0.608 1.127 -0.392) 1.339 2.132 ( 1.497 0.765 5.242) 5.505 2.179 ( 1.818 -0.666 3.953) 4.402 2.208 ( 0.378 1.500 1.891) 2.443 2.219 ( 0.143 0.699 3.266) 3.343 2.278 ( 0.505 3.762 2.329) 4.454 2.332 ( 1.002 3.028 4.641) 5.631 2.356 ( 0.728 -1.537 3.644) 4.021 2.428 ( 1.476 2.948 4.819) 5.839 2.452 ( 1.898 -1.573 0.868) 2.613 2.468 ( 1.048 0.695 2.551) 2.844 2.529 ( 2.534 -1.489 2.500) 3.859 2.566 ( 0.494 1.242 0.272) 1.364 2.581 ( 0.362 1.104 1.865) 2.197 2.652 ( 0.290 -0.980 0.160) 1.035 2.697 ( 2.194 -0.976 -0.833) 2.541 2.734 ( -0.110 -4.497 -0.774) 4.564 2.753 ( 1.278 -0.496 -2.309) 2.685 2.771 ( 0.051 -3.954 -0.975) 4.073 2.849 ( -1.417 0.386 -2.834) 3.192 2.867 ( 0.493 1.739 -2.219) 2.862 2.881 ( -2.162 -0.416 -1.166) 2.491 2.929 ( 0.731 1.042 1.413) 1.902 2.968 ( 2.941 -0.027 0.703) 3.024 3.068 ( 0.150 -2.141 -2.389) 3.212 3.075 ( -0.931 0.006 -1.248) 1.557 3.151 ( -0.123 -0.142 -2.225) 2.233 3.260 ( 2.563 2.778 -1.201) 3.966 3.292 ( -0.326 2.425 -1.571) 2.908 3.354 ( 1.126 -0.584 -1.228) 1.766 3.426 ( -0.181 0.350 1.420) 1.473 3.457 ( -0.074 -0.887 -0.293) 0.937 3.507 ( -0.525 1.070 4.864) 5.008 3.534 ( 0.011 0.778 -1.900) 2.053 3.619 ( -0.852 1.132 0.056) 1.418 3.683 ( -3.891 0.356 0.629) 3.958 3.735 ( 2.720 -4.264 5.584) 7.534 3.908 ( 1.376 3.854 -2.168) 4.631 4.008 ( 0.805 3.739 2.907) 4.804 4.086 ( -0.353 -2.407 -1.247) 2.733 4.113 ( 0.472 -1.144 0.234) 1.260 4.300 ( -1.817 -0.282 -4.335) 4.709 4.316 ( -1.230 -0.460 -3.862) 4.079 4.365 ( -2.548 1.366 -2.806) 4.029 4.394 ( -1.801 -0.297 -2.254) 2.901 4.693 ( 0.152 -0.598 0.253) 0.667 4.703 ( 0.757 -0.876 0.462) 1.246 5.756 ( 0.092 1.800 1.861) 2.591 5.925 ( -1.275 -5.802 -2.076) 6.293 6.849 ( 0.305 0.598 -1.378) 1.533 6.869 ( 0.731 2.918 -0.003) 3.008 6.922 ( 0.764 0.876 -0.240) 1.187 6.978 ( 1.440 1.388 -0.989) 2.232 7.001 ( -0.183 -0.462 -1.480) 1.561 7.035 ( -1.760 0.805 -1.078) 2.216 7.079 ( -2.930 -1.024 -0.503) 3.144 7.152 ( 2.366 -3.678 -0.432) 4.394 7.208 ( 0.528 1.857 6.017) 6.319 7.249 ( 0.458 0.086 3.728) 3.757 ======================= Grid point 45 (23/60) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -11.109 4.613 -0.608) 12.044 0.642 ( -11.633 4.668 -4.997) 13.494 0.809 ( -2.070 1.213 3.092) 3.913 0.820 ( -1.844 0.097 -3.374) 3.846 0.950 ( -2.416 -9.181 -0.154) 9.495 1.007 ( -6.924 -0.975 0.518) 7.011 1.057 ( -3.849 -5.603 3.633) 7.708 1.097 ( -2.970 -3.843 -2.539) 5.480 1.154 ( -7.561 -0.417 7.097) 10.378 1.220 ( -0.940 -3.080 -1.074) 3.394 1.321 ( -0.637 1.422 -1.969) 2.511 1.370 ( -0.326 -1.961 1.754) 2.651 1.401 ( 3.011 -0.468 1.961) 3.624 1.465 ( 1.414 2.152 -3.434) 4.293 1.477 ( -1.602 -1.453 -0.139) 2.167 1.502 ( 1.860 0.000 1.874) 2.640 1.582 ( 2.682 4.521 -0.136) 5.258 1.636 ( 0.594 0.866 -0.573) 1.196 1.702 ( 1.391 -0.718 2.020) 2.556 1.742 ( 0.248 0.954 -4.162) 4.277 1.804 ( 3.026 -1.350 -4.577) 5.650 1.830 ( 3.689 -0.341 -2.999) 4.766 1.916 ( 4.309 -0.795 1.969) 4.804 1.938 ( 2.157 -2.098 -0.436) 3.040 1.974 ( 0.770 0.924 -1.596) 1.998 2.057 ( 0.652 1.343 -2.169) 2.633 2.186 ( -0.956 3.415 2.379) 4.270 2.204 ( 0.038 0.390 2.308) 2.340 2.236 ( 0.872 1.886 2.453) 3.214 2.278 ( 2.061 -3.017 2.940) 4.689 2.305 ( 1.551 3.068 3.095) 4.625 2.364 ( -0.835 0.421 1.793) 2.022 2.423 ( 1.140 -0.537 5.724) 5.861 2.455 ( -0.834 1.558 -0.534) 1.846 2.473 ( -1.616 1.643 -1.739) 2.888 2.483 ( -0.047 0.785 3.079) 3.178 2.571 ( 1.433 1.371 2.579) 3.253 2.577 ( -1.080 -1.888 1.074) 2.426 2.631 ( -0.921 -3.522 0.847) 3.738 2.649 ( 1.940 -0.275 2.449) 3.136 2.708 ( -1.423 -1.756 -0.698) 2.365 2.750 ( 3.210 -1.697 -0.961) 3.756 2.762 ( 2.266 -1.266 0.338) 2.618 2.791 ( 1.379 -0.593 0.913) 1.757 2.808 ( -0.627 -0.001 -2.888) 2.955 2.860 ( 0.803 3.885 -2.006) 4.445 2.876 ( 1.490 -1.433 -1.514) 2.563 2.949 ( -0.302 0.837 0.642) 1.097 2.994 ( 0.102 -0.718 -1.250) 1.445 3.034 ( 0.035 1.297 -2.390) 2.720 3.061 ( 0.299 0.354 -1.626) 1.691 3.139 ( 0.002 -1.110 -0.441) 1.194 3.253 ( 1.208 2.343 -4.789) 5.466 3.298 ( -1.606 4.253 1.398) 4.756 3.364 ( 1.688 -0.544 -2.328) 2.927 3.436 ( -0.545 0.188 2.651) 2.713 3.458 ( 0.578 -0.582 0.367) 0.899 3.515 ( -1.778 2.273 2.103) 3.571 3.519 ( -0.710 -0.644 0.459) 1.063 3.610 ( -2.887 0.007 -0.369) 2.910 3.633 ( 0.426 2.433 2.530) 3.536 3.824 ( 1.164 -6.188 4.775) 7.903 3.930 ( 2.055 0.808 -0.598) 2.288 4.051 ( 0.558 -0.012 1.136) 1.265 4.074 ( 0.674 -1.006 0.346) 1.259 4.122 ( -0.296 -0.807 -0.080) 0.864 4.203 ( -2.295 1.410 -7.012) 7.511 4.241 ( -2.203 0.169 -4.769) 5.256 4.285 ( -3.042 1.651 -2.573) 4.312 4.329 ( -2.191 0.104 -3.004) 3.720 4.697 ( -0.369 0.099 0.884) 0.963 4.730 ( 1.291 -1.113 0.933) 1.943 5.776 ( 0.073 0.646 1.857) 1.968 5.867 ( -2.618 -4.037 -3.100) 5.724 6.842 ( 0.164 0.826 -1.096) 1.382 6.880 ( 0.092 -0.030 0.070) 0.119 6.946 ( 0.975 2.951 0.788) 3.206 6.957 ( -1.737 1.335 -1.841) 2.861 6.997 ( 1.126 -0.490 -1.678) 2.079 7.014 ( 1.416 1.550 -1.510) 2.586 7.023 ( -2.335 -1.958 -0.002) 3.047 7.184 ( -0.260 -4.136 1.311) 4.346 7.295 ( 2.840 1.847 6.467) 7.300 7.309 ( 3.223 1.293 3.005) 4.592 ======================= Grid point 46 (24/60) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -7.296 10.061 4.736) 13.300 0.440 ( -8.418 9.345 6.279) 14.057 0.742 ( -7.973 11.042 8.116) 15.854 0.823 ( 0.053 -4.092 2.348) 4.718 0.875 ( -4.239 -3.137 3.116) 6.125 0.939 ( -3.269 -4.988 3.197) 6.767 0.967 ( -4.729 -6.573 0.148) 8.098 1.022 ( -3.360 -5.136 1.773) 6.388 1.088 ( -5.936 -6.223 5.089) 9.993 1.234 ( 2.006 2.092 0.848) 3.020 1.302 ( -0.119 3.731 0.472) 3.762 1.355 ( -0.894 -1.201 -3.166) 3.503 1.422 ( -1.194 -7.260 0.694) 7.390 1.480 ( 0.867 -0.454 -1.614) 1.888 1.485 ( 2.241 -1.696 0.010) 2.810 1.545 ( 0.714 -1.115 0.353) 1.371 1.657 ( 2.332 1.178 -1.783) 3.163 1.667 ( 4.657 2.635 -2.668) 5.979 1.727 ( 2.240 0.757 -0.415) 2.401 1.793 ( 3.666 -0.639 2.533) 4.502 1.805 ( -1.129 -2.540 -3.975) 4.850 1.842 ( 3.214 -1.241 -3.156) 4.672 1.933 ( 1.020 3.092 -5.496) 6.388 1.991 ( 2.949 0.032 1.276) 3.214 2.010 ( 0.896 0.758 -0.240) 1.198 2.080 ( 3.478 -3.420 1.719) 5.172 2.172 ( -2.128 2.865 2.490) 4.351 2.248 ( 1.652 2.061 2.230) 3.457 2.262 ( 0.281 1.906 1.644) 2.533 2.290 ( -1.085 -0.159 -0.267) 1.129 2.342 ( -3.792 4.355 -2.180) 6.172 2.379 ( -0.971 0.583 0.601) 1.282 2.411 ( -0.895 2.649 -0.014) 2.796 2.425 ( 3.292 -0.207 1.131) 3.487 2.474 ( 0.022 -2.985 1.700) 3.435 2.506 ( -1.313 -4.117 3.129) 5.336 2.568 ( -1.490 -0.929 0.340) 1.788 2.625 ( 1.225 -1.036 -0.889) 1.834 2.635 ( -0.448 1.369 0.411) 1.498 2.650 ( -0.388 -4.281 -1.047) 4.424 2.704 ( -0.499 2.380 -0.254) 2.445 2.751 ( -3.179 -2.035 -0.743) 3.847 2.763 ( -0.873 -1.025 -3.689) 3.927 2.789 ( 3.018 1.318 -2.922) 4.403 2.837 ( 1.310 2.162 -1.524) 2.952 2.848 ( 2.381 1.249 -1.202) 2.945 2.897 ( 2.214 0.689 0.738) 2.433 2.941 ( -0.352 2.346 0.362) 2.400 2.977 ( 0.292 -0.498 -1.907) 1.993 3.046 ( 1.786 -1.577 -3.024) 3.850 3.074 ( 0.753 2.407 2.317) 3.425 3.130 ( 0.026 -0.435 -0.394) 0.588 3.230 ( 0.484 4.759 -6.417) 8.004 3.255 ( -2.672 3.878 0.224) 4.715 3.364 ( 0.565 1.642 -2.270) 2.858 3.439 ( -1.369 -0.849 1.620) 2.284 3.470 ( -0.654 0.374 0.077) 0.757 3.512 ( -0.263 -0.938 1.944) 2.174 3.521 ( 0.445 -1.840 1.248) 2.268 3.552 ( -2.787 -0.462 0.349) 2.846 3.675 ( 0.416 1.385 3.229) 3.538 3.785 ( -6.272 -4.977 -5.050) 9.466 3.960 ( 1.423 -0.039 -0.840) 1.653 4.046 ( 0.497 -2.985 -1.661) 3.452 4.068 ( -1.145 2.466 -1.164) 2.958 4.121 ( 1.160 -1.268 2.701) 3.201 4.171 ( 0.542 1.596 1.688) 2.385 4.217 ( 0.358 0.214 1.798) 1.846 4.235 ( -0.746 0.631 0.315) 1.026 4.300 ( 2.785 -0.572 2.099) 3.534 4.694 ( -0.784 0.926 1.070) 1.618 4.755 ( 0.653 -1.398 0.083) 1.545 5.782 ( -2.279 -0.508 -0.712) 2.441 5.788 ( -1.119 -0.488 0.251) 1.246 6.833 ( -0.381 0.994 -0.392) 1.134 6.882 ( 0.126 -0.493 0.517) 0.726 6.904 ( -1.587 0.778 -1.711) 2.460 6.961 ( -1.915 -1.788 -0.774) 2.732 6.986 ( 1.532 2.166 0.808) 2.773 7.032 ( 2.619 -0.823 -1.121) 2.966 7.042 ( 1.341 1.715 0.649) 2.272 7.171 ( -2.217 -3.193 1.685) 4.237 7.368 ( 2.552 2.138 -0.553) 3.375 7.433 ( 4.260 -0.250 2.075) 4.745 ======================= Grid point 47 (25/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -1.851 -6.537 4.981) 8.424 0.586 ( -1.851 6.537 4.981) 8.424 0.724 ( 2.310 -5.554 7.629) 9.715 0.724 ( 2.310 5.554 7.629) 9.715 0.918 ( 0.882 -2.369 6.266) 6.756 0.918 ( 0.882 2.369 6.266) 6.756 0.938 ( -2.007 -1.856 2.835) 3.938 0.938 ( -2.007 1.856 2.835) 3.938 1.180 ( -0.602 -15.126 7.031) 16.691 1.180 ( -0.602 15.126 7.031) 16.691 1.325 ( 1.473 -0.616 -0.734) 1.757 1.325 ( 1.473 0.616 -0.734) 1.757 1.385 ( 0.608 -3.230 0.595) 3.340 1.385 ( 0.608 3.230 0.595) 3.340 1.505 ( -0.333 -0.389 -1.918) 1.985 1.505 ( -0.333 0.389 -1.918) 1.985 1.649 ( -1.461 -2.044 -3.627) 4.413 1.649 ( -1.461 2.044 -3.627) 4.413 1.776 ( 3.761 -1.975 -3.397) 5.439 1.776 ( 3.761 1.975 -3.397) 5.439 1.842 ( 0.527 -1.451 -2.173) 2.666 1.842 ( 0.527 1.451 -2.173) 2.666 2.012 ( 1.344 -3.025 1.208) 3.524 2.012 ( 1.344 3.025 1.208) 3.524 2.080 ( -0.309 -2.930 2.457) 3.836 2.080 ( -0.309 2.930 2.457) 3.836 2.217 ( -3.404 -1.611 -0.376) 3.784 2.217 ( -3.404 1.611 -0.376) 3.784 2.262 ( -1.086 -2.130 -1.875) 3.038 2.262 ( -1.086 2.130 -1.875) 3.038 2.370 ( -2.161 -0.414 -0.090) 2.202 2.370 ( -2.161 0.414 -0.090) 2.202 2.397 ( -0.980 -3.101 1.080) 3.427 2.397 ( -0.980 3.101 1.080) 3.427 2.461 ( 0.898 -1.601 -0.710) 1.968 2.461 ( 0.898 1.601 -0.710) 1.968 2.547 ( -2.168 -4.367 -1.482) 5.096 2.547 ( -2.168 4.367 -1.482) 5.096 2.580 ( -2.375 -1.002 -3.788) 4.582 2.580 ( -2.375 1.002 -3.788) 4.582 2.737 ( 0.130 -2.310 -1.546) 2.783 2.737 ( 0.130 2.310 -1.546) 2.783 2.762 ( 3.069 -4.177 -1.179) 5.316 2.762 ( 3.069 4.177 -1.179) 5.316 2.874 ( -1.117 -4.268 -2.184) 4.923 2.874 ( -1.117 4.268 -2.184) 4.923 2.959 ( 1.641 -1.531 -3.472) 4.134 2.959 ( 1.641 1.531 -3.472) 4.134 3.015 ( 1.558 -2.192 1.197) 2.944 3.015 ( 1.558 2.192 1.197) 2.944 3.137 ( 2.689 -0.168 0.018) 2.694 3.137 ( 2.689 0.168 0.018) 2.694 3.189 ( -4.649 -1.073 -2.798) 5.531 3.189 ( -4.649 1.073 -2.798) 5.531 3.403 ( -0.397 -1.343 0.876) 1.652 3.403 ( -0.397 1.343 0.876) 1.652 3.491 ( 0.027 -2.073 -1.630) 2.637 3.491 ( 0.027 2.073 -1.630) 2.637 3.527 ( 1.376 -1.772 2.999) 3.745 3.527 ( 1.376 1.772 2.999) 3.745 3.684 ( -2.111 -1.031 1.706) 2.903 3.684 ( -2.111 1.031 1.706) 2.903 4.015 ( 1.459 -3.175 -0.302) 3.507 4.015 ( 1.459 3.175 -0.302) 3.507 4.095 ( -1.019 -2.596 -0.144) 2.792 4.095 ( -1.019 2.596 -0.144) 2.792 4.251 ( 3.322 -1.079 4.431) 5.642 4.251 ( 3.322 1.079 4.431) 5.642 4.310 ( 1.799 -4.143 2.757) 5.292 4.310 ( 1.799 4.143 2.757) 5.292 4.716 ( -0.607 -1.852 -0.536) 2.022 4.716 ( -0.607 1.852 -0.536) 2.022 5.780 ( 0.544 -0.592 0.876) 1.189 5.780 ( 0.544 0.592 0.876) 1.189 6.843 ( -0.328 -0.584 -0.555) 0.870 6.843 ( -0.328 0.584 -0.555) 0.870 6.925 ( 0.958 -0.844 -0.160) 1.286 6.925 ( 0.958 0.844 -0.160) 1.286 7.041 ( 0.451 -1.462 0.650) 1.663 7.041 ( 0.451 1.462 0.650) 1.663 7.100 ( -0.291 -2.018 1.529) 2.548 7.100 ( -0.291 2.018 1.529) 2.548 7.398 ( -2.789 -0.596 -4.039) 4.944 7.398 ( -2.789 0.596 -4.039) 4.944 ======================= Grid point 49 (26/60) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 4.596 -7.603 5.241) 10.315 0.657 ( 4.596 7.603 5.241) 10.315 0.841 ( 3.652 -6.750 4.491) 8.892 0.841 ( 3.652 6.750 4.491) 8.892 0.910 ( -2.391 -1.178 2.573) 3.704 0.910 ( -2.391 1.178 2.573) 3.704 1.017 ( 2.907 -4.164 5.213) 7.278 1.017 ( 2.907 4.164 5.213) 7.278 1.230 ( 0.974 -4.357 0.884) 4.551 1.230 ( 0.974 4.357 0.884) 4.551 1.311 ( -3.993 -2.427 0.168) 4.675 1.311 ( -3.993 2.427 0.168) 4.675 1.429 ( 1.504 -0.437 1.762) 2.358 1.429 ( 1.504 0.437 1.762) 2.358 1.494 ( 1.623 -1.700 -0.511) 2.405 1.494 ( 1.623 1.700 -0.511) 2.405 1.637 ( 1.828 -1.838 0.559) 2.652 1.637 ( 1.828 1.838 0.559) 2.652 1.809 ( 1.813 -1.028 -1.858) 2.792 1.809 ( 1.813 1.028 -1.858) 2.792 1.835 ( -0.048 -3.675 1.628) 4.020 1.835 ( -0.048 3.675 1.628) 4.020 2.021 ( -2.084 -0.374 1.386) 2.530 2.021 ( -2.084 0.374 1.386) 2.530 2.049 ( -2.993 -2.105 0.690) 3.724 2.049 ( -2.993 2.105 0.690) 3.724 2.148 ( -2.397 -1.490 0.306) 2.839 2.148 ( -2.397 1.490 0.306) 2.839 2.226 ( -1.349 -2.017 -0.024) 2.427 2.226 ( -1.349 2.017 -0.024) 2.427 2.316 ( -2.755 -4.022 -6.152) 7.849 2.316 ( -2.755 4.022 -6.152) 7.849 2.376 ( -1.972 -2.716 -1.194) 3.563 2.376 ( -1.972 2.716 -1.194) 3.563 2.439 ( 1.181 -2.564 -0.475) 2.863 2.439 ( 1.181 2.564 -0.475) 2.863 2.514 ( -0.239 -2.175 -0.772) 2.320 2.514 ( -0.239 2.175 -0.772) 2.320 2.568 ( 0.752 -4.905 -0.458) 4.983 2.568 ( 0.752 4.905 -0.458) 4.983 2.714 ( -0.309 -1.708 -0.982) 1.994 2.714 ( -0.309 1.708 -0.982) 1.994 2.784 ( -0.242 -1.906 -1.686) 2.556 2.784 ( -0.242 1.906 -1.686) 2.556 2.847 ( 0.852 -4.093 -0.650) 4.231 2.847 ( 0.852 4.093 -0.650) 4.231 2.921 ( -0.730 -0.803 -3.511) 3.675 2.921 ( -0.730 0.803 -3.511) 3.675 3.033 ( -0.836 -3.171 -1.334) 3.540 3.033 ( -0.836 3.171 -1.334) 3.540 3.128 ( 0.808 -1.302 0.242) 1.552 3.128 ( 0.808 1.302 0.242) 1.552 3.238 ( 5.755 -2.257 -1.363) 6.330 3.238 ( 5.755 2.257 -1.363) 6.330 3.397 ( -1.492 -1.648 1.232) 2.541 3.397 ( -1.492 1.648 1.232) 2.541 3.458 ( -0.393 -3.521 -1.868) 4.006 3.458 ( -0.393 3.521 -1.868) 4.006 3.583 ( 0.193 -3.082 3.195) 4.443 3.583 ( 0.193 3.082 3.195) 4.443 3.668 ( -1.235 -3.270 2.438) 4.261 3.668 ( -1.235 3.270 2.438) 4.261 4.021 ( 0.516 -3.153 -1.620) 3.582 4.021 ( 0.516 3.153 -1.620) 3.582 4.085 ( -0.376 -2.127 0.424) 2.202 4.085 ( -0.376 2.127 0.424) 2.202 4.331 ( 1.159 -1.726 1.365) 2.487 4.331 ( 1.159 1.726 1.365) 2.487 4.374 ( 2.244 -3.629 3.098) 5.273 4.374 ( 2.244 3.629 3.098) 5.273 4.697 ( -0.605 -1.183 -0.791) 1.547 4.697 ( -0.605 1.183 -0.791) 1.547 5.804 ( 0.873 -3.814 0.700) 3.974 5.804 ( 0.873 3.814 0.700) 3.974 6.846 ( 1.091 -0.985 -0.542) 1.567 6.846 ( 1.091 0.985 -0.542) 1.567 6.950 ( 1.824 -0.123 -0.323) 1.856 6.950 ( 1.824 0.123 -0.323) 1.856 7.028 ( -1.936 -1.374 0.527) 2.432 7.028 ( -1.936 1.374 0.527) 2.432 7.130 ( 1.249 -1.762 2.352) 3.193 7.130 ( 1.249 1.762 2.352) 3.193 7.277 ( -5.319 -2.719 -3.524) 6.936 7.277 ( -5.319 2.719 -3.524) 6.936 ======================= Grid point 51 (27/60) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 3.145 -3.468 0.072) 4.682 0.786 ( 3.145 3.468 0.072) 4.682 0.868 ( -0.355 -0.801 3.642) 3.746 0.868 ( -0.355 0.801 3.642) 3.746 0.957 ( 2.182 -4.995 2.151) 5.859 0.957 ( 2.182 4.995 2.151) 5.859 1.102 ( 1.351 -1.837 3.634) 4.290 1.102 ( 1.351 1.837 3.634) 4.290 1.201 ( -2.163 -1.959 -1.592) 3.324 1.201 ( -2.163 1.959 -1.592) 3.324 1.261 ( 0.041 -2.255 -1.766) 2.865 1.261 ( 0.041 2.255 -1.766) 2.865 1.438 ( 0.114 -0.645 0.399) 0.767 1.438 ( 0.114 0.645 0.399) 0.767 1.546 ( 2.232 -1.332 0.290) 2.615 1.546 ( 2.232 1.332 0.290) 2.615 1.666 ( 0.196 -2.090 1.015) 2.332 1.666 ( 0.196 2.090 1.015) 2.332 1.778 ( -3.315 -3.262 -3.913) 6.078 1.778 ( -3.315 3.262 -3.913) 6.078 1.817 ( -2.395 -2.259 -0.056) 3.293 1.817 ( -2.395 2.259 -0.056) 3.293 2.002 ( -3.147 -2.045 3.713) 5.279 2.002 ( -3.147 2.045 3.713) 5.279 2.050 ( -0.687 -2.297 1.804) 3.000 2.050 ( -0.687 2.297 1.804) 3.000 2.112 ( -0.592 -0.795 -2.452) 2.644 2.112 ( -0.592 0.795 -2.452) 2.644 2.220 ( 0.822 -1.485 0.065) 1.699 2.220 ( 0.822 1.485 0.065) 1.699 2.249 ( 0.847 -0.927 3.879) 4.077 2.249 ( 0.847 0.927 3.879) 4.077 2.368 ( 1.080 -1.171 1.349) 2.088 2.368 ( 1.080 1.171 1.349) 2.088 2.443 ( -0.533 -3.536 -0.829) 3.671 2.443 ( -0.533 3.536 -0.829) 3.671 2.516 ( 1.224 -2.731 -0.586) 3.050 2.516 ( 1.224 2.731 -0.586) 3.050 2.579 ( 0.803 -6.431 0.514) 6.501 2.579 ( 0.803 6.431 0.514) 6.501 2.703 ( -0.043 -2.119 -1.347) 2.511 2.703 ( -0.043 2.119 -1.347) 2.511 2.754 ( -0.434 -2.649 -2.534) 3.692 2.754 ( -0.434 2.649 -2.534) 3.692 2.880 ( 0.428 -0.765 1.307) 1.573 2.880 ( 0.428 0.765 1.307) 1.573 2.902 ( 1.870 -1.724 -1.217) 2.819 2.902 ( 1.870 1.724 -1.217) 2.819 2.991 ( -1.787 -2.248 -1.080) 3.068 2.991 ( -1.787 2.248 -1.080) 3.068 3.139 ( 0.042 -1.422 -1.470) 2.045 3.139 ( 0.042 1.422 -1.470) 2.045 3.298 ( 3.487 -2.920 -4.569) 6.446 3.298 ( 3.487 2.920 -4.569) 6.446 3.384 ( -0.119 -2.091 0.295) 2.115 3.384 ( -0.119 2.091 0.295) 2.115 3.457 ( 0.157 -1.809 1.127) 2.138 3.457 ( 0.157 1.809 1.127) 2.138 3.593 ( -1.184 -3.379 3.728) 5.169 3.593 ( -1.184 3.379 3.728) 5.169 3.679 ( -0.551 -2.991 1.894) 3.583 3.679 ( -0.551 2.991 1.894) 3.583 4.020 ( 0.426 -2.768 -1.054) 2.992 4.020 ( 0.426 2.768 -1.054) 2.992 4.075 ( -0.272 -1.294 -0.904) 1.602 4.075 ( -0.272 1.294 -0.904) 1.602 4.336 ( -0.679 -1.098 -0.213) 1.308 4.336 ( -0.679 1.098 -0.213) 1.308 4.415 ( 0.443 -0.545 -0.195) 0.729 4.415 ( 0.443 0.545 -0.195) 0.729 4.685 ( -0.071 -0.403 -0.451) 0.609 4.685 ( -0.071 0.403 -0.451) 0.609 5.818 ( 0.063 -5.337 0.519) 5.363 5.818 ( 0.063 5.337 0.519) 5.363 6.863 ( 0.895 -1.236 -0.396) 1.576 6.863 ( 0.895 1.236 -0.396) 1.576 6.977 ( 0.772 -1.064 -0.608) 1.448 6.977 ( 0.772 1.064 -0.608) 1.448 7.005 ( 0.629 -0.358 -0.596) 0.937 7.005 ( 0.629 0.358 -0.596) 0.937 7.149 ( -2.634 -2.130 -1.644) 3.766 7.149 ( -2.634 2.130 -1.644) 3.766 7.192 ( -0.810 -1.432 3.422) 3.797 7.192 ( -0.810 1.432 3.422) 3.797 ======================= Grid point 53 (28/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -2.114 -1.737 -1.757) 3.252 0.757 ( -2.114 1.737 -1.757) 3.252 0.910 ( -2.876 -1.912 2.515) 4.272 0.910 ( -2.876 1.912 2.515) 4.272 0.968 ( 0.315 -3.506 -1.873) 3.988 0.968 ( 0.315 3.506 -1.873) 3.988 1.103 ( -4.649 -2.145 1.428) 5.316 1.103 ( -4.649 2.145 1.428) 5.316 1.172 ( 0.500 -1.222 -2.460) 2.791 1.172 ( 0.500 1.222 -2.460) 2.791 1.273 ( 2.072 -1.712 1.637) 3.147 1.273 ( 2.072 1.712 1.637) 3.147 1.453 ( 0.216 -1.723 1.189) 2.105 1.453 ( 0.216 1.723 1.189) 2.105 1.555 ( -1.518 -1.837 -1.756) 2.960 1.555 ( -1.518 1.837 -1.756) 2.960 1.648 ( -2.035 -0.596 0.255) 2.135 1.648 ( -2.035 0.596 0.255) 2.135 1.697 ( 0.313 -4.025 -3.313) 5.223 1.697 ( 0.313 4.025 -3.313) 5.223 1.802 ( 1.455 -0.352 -0.453) 1.564 1.802 ( 1.455 0.352 -0.453) 1.564 1.916 ( -3.898 -2.711 -4.670) 6.660 1.916 ( -3.898 2.711 -4.670) 6.660 2.032 ( 0.338 -4.156 1.708) 4.506 2.032 ( 0.338 4.156 1.708) 4.506 2.147 ( 1.203 -1.202 3.892) 4.248 2.147 ( 1.203 1.202 3.892) 4.248 2.239 ( -0.366 -0.374 1.817) 1.891 2.239 ( -0.366 0.374 1.817) 1.891 2.340 ( 2.541 -0.757 3.521) 4.408 2.340 ( 2.541 0.757 3.521) 4.408 2.406 ( -0.746 -4.109 1.781) 4.541 2.406 ( -0.746 4.109 1.781) 4.541 2.453 ( 2.135 -1.396 3.628) 4.435 2.453 ( 2.135 1.396 3.628) 4.435 2.549 ( 0.821 -3.471 1.626) 3.920 2.549 ( 0.821 3.471 1.626) 3.920 2.605 ( 1.361 -3.928 1.538) 4.432 2.605 ( 1.361 3.928 1.538) 4.432 2.694 ( 0.888 -1.710 -1.711) 2.577 2.694 ( 0.888 1.710 -1.711) 2.577 2.733 ( 0.488 -2.295 -2.101) 3.149 2.733 ( 0.488 2.295 -2.101) 3.149 2.863 ( -0.876 -0.453 -1.948) 2.184 2.863 ( -0.876 0.453 -1.948) 2.184 2.950 ( -0.015 -4.781 -1.201) 4.929 2.950 ( -0.015 4.781 -1.201) 4.929 2.958 ( 1.138 -1.130 1.879) 2.470 2.958 ( 1.138 1.130 1.879) 2.470 3.126 ( 0.437 -2.014 -1.748) 2.702 3.126 ( 0.437 2.014 -1.748) 2.702 3.301 ( 1.890 -1.090 -4.491) 4.993 3.301 ( 1.890 1.090 -4.491) 4.993 3.391 ( 0.408 -3.144 0.531) 3.215 3.391 ( 0.408 3.144 0.531) 3.215 3.471 ( -0.588 -1.934 2.227) 3.008 3.471 ( -0.588 1.934 2.227) 3.008 3.616 ( -0.417 -3.745 2.415) 4.475 3.616 ( -0.417 3.745 2.415) 4.475 3.674 ( -0.924 -0.582 2.216) 2.471 3.674 ( -0.924 0.582 2.216) 2.471 4.001 ( -0.076 -4.850 -3.494) 5.978 4.001 ( -0.076 4.850 -3.494) 5.978 4.081 ( 0.465 -2.421 1.634) 2.957 4.081 ( 0.465 2.421 1.634) 2.957 4.306 ( -1.174 -0.608 -3.123) 3.391 4.306 ( -1.174 0.608 -3.123) 3.391 4.385 ( -2.170 -0.679 -2.538) 3.408 4.385 ( -2.170 0.679 -2.538) 3.408 4.689 ( 0.545 -0.305 0.357) 0.720 4.689 ( 0.545 0.305 0.357) 0.720 5.817 ( -0.607 -4.517 0.437) 4.579 5.817 ( -0.607 4.517 0.437) 4.579 6.867 ( 0.164 -1.115 -0.766) 1.362 6.867 ( 0.164 1.115 -0.766) 1.362 6.975 ( 0.334 -1.962 -0.403) 2.031 6.975 ( 0.334 1.962 -0.403) 2.031 7.031 ( 0.676 -2.504 -0.622) 2.668 7.031 ( 0.676 2.504 -0.622) 2.668 7.079 ( -1.274 -2.170 -1.837) 3.116 7.079 ( -1.274 2.170 -1.837) 3.116 7.239 ( 1.016 -1.115 4.868) 5.096 7.239 ( 1.016 1.115 4.868) 5.096 ======================= Grid point 55 (29/60) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -3.140 -3.137 -1.107) 4.574 0.701 ( -3.140 3.137 -1.107) 4.574 0.799 ( -8.317 -3.077 -1.701) 9.029 0.799 ( -8.317 3.077 -1.701) 9.029 0.911 ( -4.146 -6.386 -0.453) 7.627 0.911 ( -4.146 6.386 -0.453) 7.627 1.018 ( -4.409 -3.648 2.612) 6.290 1.018 ( -4.409 3.648 2.612) 6.290 1.182 ( 1.368 -2.104 -1.782) 3.078 1.182 ( 1.368 2.104 -1.782) 3.078 1.315 ( -1.273 -2.443 3.415) 4.388 1.315 ( -1.273 2.443 3.415) 4.388 1.447 ( -1.553 -2.905 -0.064) 3.295 1.447 ( -1.553 2.905 -0.064) 3.295 1.497 ( -1.068 -1.660 -0.782) 2.123 1.497 ( -1.068 1.660 -0.782) 2.123 1.642 ( 1.074 -0.771 1.350) 1.889 1.642 ( 1.074 0.771 1.350) 1.889 1.726 ( 3.599 -3.464 -2.032) 5.393 1.726 ( 3.599 3.464 -2.032) 5.393 1.805 ( 0.990 -2.311 -4.943) 5.546 1.805 ( 0.990 2.311 -4.943) 5.546 1.894 ( 3.646 -1.408 1.070) 4.053 1.894 ( 3.646 1.408 1.070) 4.053 2.043 ( 0.070 -3.249 -1.944) 3.786 2.043 ( 0.070 3.249 -1.944) 3.786 2.214 ( 1.527 -1.722 5.208) 5.694 2.214 ( 1.527 1.722 5.208) 5.694 2.251 ( 0.599 -1.645 1.408) 2.247 2.251 ( 0.599 1.645 1.408) 2.247 2.383 ( 0.576 -2.393 0.508) 2.513 2.383 ( 0.576 2.393 0.508) 2.513 2.406 ( -0.802 -4.179 1.880) 4.653 2.406 ( -0.802 4.179 1.880) 4.653 2.513 ( 0.036 -3.898 3.758) 5.415 2.513 ( 0.036 3.898 3.758) 5.415 2.553 ( -0.749 -0.589 0.298) 0.998 2.553 ( -0.749 0.589 0.298) 0.998 2.623 ( -1.357 -3.022 -0.259) 3.323 2.623 ( -1.357 3.022 -0.259) 3.323 2.716 ( 2.089 -2.278 1.444) 3.412 2.716 ( 2.089 2.278 1.444) 3.412 2.755 ( 3.223 -0.775 -0.692) 3.386 2.755 ( 3.223 0.775 -0.692) 3.386 2.840 ( 0.250 -1.658 -1.954) 2.575 2.840 ( 0.250 1.658 -1.954) 2.575 2.939 ( 1.052 -3.207 -2.391) 4.136 2.939 ( 1.052 3.207 -2.391) 4.136 2.991 ( 0.350 -2.312 0.110) 2.341 2.991 ( 0.350 2.312 0.110) 2.341 3.115 ( -0.468 -1.968 0.022) 2.023 3.115 ( -0.468 1.968 0.022) 2.023 3.307 ( 2.294 -2.622 -3.682) 5.069 3.307 ( 2.294 2.622 -3.682) 5.069 3.404 ( -0.720 -3.467 2.164) 4.150 3.404 ( -0.720 3.467 2.164) 4.150 3.471 ( -0.752 -1.926 1.725) 2.692 3.471 ( -0.752 1.926 1.725) 2.692 3.589 ( -2.088 -2.434 -1.531) 3.553 3.589 ( -2.088 2.434 -1.531) 3.553 3.706 ( -0.098 -5.191 4.398) 6.804 3.706 ( -0.098 5.191 4.398) 6.804 3.979 ( 0.900 -3.856 -2.559) 4.715 3.979 ( 0.900 3.856 -2.559) 4.715 4.102 ( -0.314 -1.237 1.587) 2.036 4.102 ( -0.314 1.237 1.587) 2.036 4.233 ( -1.955 -1.183 -4.861) 5.371 4.233 ( -1.955 1.183 -4.861) 5.371 4.316 ( -2.374 -1.339 -2.361) 3.605 4.316 ( -2.374 1.339 -2.361) 3.605 4.707 ( 0.701 -1.009 0.859) 1.499 4.707 ( 0.701 1.009 0.859) 1.499 5.803 ( -1.254 -2.253 0.184) 2.585 5.803 ( -1.254 2.253 0.184) 2.585 6.863 ( 0.035 -1.150 -0.367) 1.207 6.863 ( 0.035 1.150 -0.367) 1.207 6.981 ( -1.745 -0.678 -1.014) 2.129 6.981 ( -1.745 0.678 -1.014) 2.129 6.988 ( 0.170 -0.737 -0.985) 1.241 6.988 ( 0.170 0.737 -0.985) 1.241 7.091 ( 1.197 -5.100 0.083) 5.240 7.091 ( 1.197 5.100 0.083) 5.240 7.318 ( 3.396 -0.418 4.000) 5.264 7.318 ( 3.396 0.418 4.000) 5.264 ======================= Grid point 57 (30/60) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.901 -5.825 0.101) 7.011 0.615 ( -3.901 5.825 0.101) 7.011 0.678 ( -4.798 -5.569 5.329) 9.079 0.678 ( -4.798 5.569 5.329) 9.079 0.875 ( -1.729 -4.728 4.245) 6.586 0.875 ( -1.729 4.728 4.245) 6.586 0.967 ( -3.539 -2.643 2.382) 5.019 0.967 ( -3.539 2.643 2.382) 5.019 1.169 ( -2.327 -12.228 2.377) 12.672 1.169 ( -2.327 12.228 2.377) 12.672 1.313 ( -0.914 -1.158 2.301) 2.733 1.313 ( -0.914 1.158 2.301) 2.733 1.399 ( -1.359 -4.905 -1.942) 5.448 1.399 ( -1.359 4.905 -1.942) 5.448 1.509 ( 1.156 -1.926 -0.614) 2.329 1.509 ( 1.156 1.926 -0.614) 2.329 1.688 ( 2.642 -0.797 -2.862) 3.976 1.688 ( 2.642 0.797 -2.862) 3.976 1.746 ( 1.733 -1.698 -3.535) 4.287 1.746 ( 1.733 1.698 -3.535) 4.287 1.819 ( 2.485 -1.463 0.282) 2.897 1.819 ( 2.485 1.463 0.282) 2.897 1.978 ( 3.009 -1.334 -0.524) 3.333 1.978 ( 3.009 1.334 -0.524) 3.333 2.030 ( 1.745 -1.650 0.064) 2.403 2.030 ( 1.745 1.650 0.064) 2.403 2.243 ( -0.164 -2.993 0.746) 3.089 2.243 ( -0.164 2.993 0.746) 3.089 2.290 ( 0.233 -1.502 -0.028) 1.520 2.290 ( 0.233 1.502 -0.028) 1.520 2.388 ( -1.257 -3.731 2.081) 4.453 2.388 ( -1.257 3.731 2.081) 4.453 2.410 ( -0.148 -2.163 2.043) 2.979 2.410 ( -0.148 2.163 2.043) 2.979 2.480 ( -3.345 -2.041 -1.471) 4.185 2.480 ( -3.345 2.041 -1.471) 4.185 2.559 ( 0.082 -3.617 0.738) 3.693 2.559 ( 0.082 3.617 0.738) 3.693 2.637 ( 2.467 -1.655 1.537) 3.345 2.637 ( 2.467 1.655 1.537) 3.345 2.732 ( -2.596 -0.998 -3.783) 4.696 2.732 ( -2.596 0.998 -3.783) 4.696 2.761 ( 0.902 -2.680 -1.300) 3.112 2.761 ( 0.902 2.680 -1.300) 3.112 2.868 ( 3.237 -1.205 -0.283) 3.465 2.868 ( 3.237 1.205 -0.283) 3.465 2.944 ( 2.057 -2.829 -3.083) 4.662 2.944 ( 2.057 2.829 -3.083) 4.662 2.987 ( -0.093 -2.756 0.518) 2.806 2.987 ( -0.093 2.756 0.518) 2.806 3.118 ( -0.115 -1.349 0.831) 1.588 3.118 ( -0.115 1.349 0.831) 1.588 3.296 ( -0.866 -0.947 -3.571) 3.794 3.296 ( -0.866 0.947 -3.571) 3.794 3.404 ( -0.516 -2.666 0.815) 2.835 3.404 ( -0.516 2.666 0.815) 2.835 3.476 ( -0.274 -0.799 0.482) 0.972 3.476 ( -0.274 0.799 0.482) 0.972 3.532 ( -2.344 -1.363 0.130) 2.714 3.532 ( -2.344 1.363 0.130) 2.714 3.713 ( -1.892 -2.598 1.138) 3.409 3.713 ( -1.892 2.598 1.138) 3.409 3.987 ( 1.523 -2.671 -0.812) 3.180 3.987 ( 1.523 2.671 -0.812) 3.180 4.095 ( -0.402 -1.029 1.660) 1.994 4.095 ( -0.402 1.029 1.660) 1.994 4.205 ( 0.019 -1.354 0.460) 1.430 4.205 ( 0.019 1.354 0.460) 1.430 4.272 ( -0.059 -2.074 -0.301) 2.097 4.272 ( -0.059 2.074 -0.301) 2.097 4.722 ( 0.134 -1.774 0.362) 1.815 4.722 ( 0.134 1.774 0.362) 1.815 5.780 ( -1.089 -0.242 0.359) 1.171 5.780 ( -1.089 0.242 0.359) 1.171 6.858 ( -0.673 -1.502 0.183) 1.656 6.858 ( -0.673 1.502 0.183) 1.656 6.929 ( -1.077 -1.551 -1.389) 2.344 6.929 ( -1.077 1.551 -1.389) 2.344 7.013 ( 1.861 -0.967 -0.244) 2.112 7.013 ( 1.861 0.967 -0.244) 2.112 7.101 ( -0.596 -3.674 1.182) 3.905 7.101 ( -0.596 3.674 1.182) 3.905 7.410 ( 3.230 -1.867 0.223) 3.738 7.410 ( 3.230 1.867 0.223) 3.738 ======================= Grid point 65 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 1.698 0.000 12.588) 12.702 0.656 ( -4.008 0.000 12.235) 12.875 0.913 ( 3.646 0.000 2.675) 4.522 0.949 ( 2.451 0.000 1.116) 2.693 1.010 ( -1.640 0.000 1.454) 2.192 1.044 ( -3.692 0.000 1.048) 3.838 1.112 ( -2.774 0.000 3.211) 4.243 1.168 ( -5.107 0.000 -0.815) 5.171 1.210 ( 6.002 0.000 -4.107) 7.272 1.251 ( 1.163 0.000 6.793) 6.892 1.336 ( 1.684 0.000 11.940) 12.058 1.359 ( 3.321 0.000 8.523) 9.147 1.368 ( 0.065 0.000 1.633) 1.634 1.458 ( -1.407 0.000 -1.415) 1.995 1.480 ( -4.563 0.000 2.797) 5.352 1.569 ( 2.293 0.000 -0.873) 2.453 1.614 ( -1.592 0.000 -3.227) 3.598 1.664 ( -3.291 0.000 1.210) 3.507 1.665 ( 0.690 0.000 -0.113) 0.699 1.728 ( 4.416 0.000 -6.142) 7.564 1.768 ( 3.117 0.000 0.657) 3.186 1.839 ( 1.793 0.000 -1.676) 2.455 1.991 ( -0.369 0.000 -2.647) 2.673 2.052 ( 7.802 0.000 4.688) 9.102 2.084 ( -5.890 0.000 -3.220) 6.713 2.114 ( -0.941 0.000 4.123) 4.229 2.165 ( -1.049 0.000 -2.087) 2.336 2.204 ( -3.002 0.000 3.963) 4.971 2.209 ( -0.002 0.000 -1.712) 1.712 2.295 ( -1.868 0.000 1.168) 2.203 2.306 ( 0.470 0.000 2.495) 2.539 2.348 ( -3.076 0.000 -6.749) 7.417 2.365 ( -3.132 0.000 -1.318) 3.398 2.399 ( -3.503 0.000 -4.365) 5.597 2.427 ( -0.259 0.000 1.626) 1.646 2.481 ( -5.808 0.000 -2.115) 6.181 2.492 ( -1.974 0.000 -1.311) 2.370 2.519 ( 3.524 0.000 -1.023) 3.669 2.578 ( -0.217 0.000 1.762) 1.776 2.608 ( 3.428 0.000 -3.266) 4.735 2.627 ( -1.266 0.000 -2.881) 3.147 2.668 ( -3.386 0.000 3.177) 4.643 2.734 ( 1.149 0.000 -4.525) 4.668 2.779 ( -0.025 0.000 -4.216) 4.216 2.802 ( 1.472 0.000 -0.012) 1.473 2.806 ( -1.822 0.000 -1.475) 2.344 2.853 ( 1.320 0.000 -1.318) 1.865 2.896 ( 2.140 0.000 -2.594) 3.363 2.996 ( 0.914 0.000 0.609) 1.099 2.999 ( 1.109 0.000 0.852) 1.398 3.103 ( 2.101 0.000 -0.293) 2.121 3.143 ( 2.448 0.000 -0.833) 2.586 3.216 ( 1.333 0.000 1.914) 2.333 3.241 ( 0.185 0.000 0.774) 0.795 3.373 ( 0.453 0.000 1.807) 1.863 3.421 ( 0.762 0.000 -1.951) 2.094 3.460 ( -0.778 0.000 0.214) 0.807 3.527 ( -2.730 0.000 -0.382) 2.757 3.534 ( -3.565 0.000 1.245) 3.776 3.549 ( 2.472 0.000 -0.664) 2.559 3.713 ( 0.387 0.000 3.623) 3.643 3.798 ( -0.037 0.000 2.080) 2.080 3.860 ( -2.845 0.000 -1.452) 3.194 3.958 ( -0.820 0.000 -3.151) 3.256 4.081 ( 0.604 0.000 1.134) 1.285 4.102 ( 0.875 0.000 1.549) 1.779 4.296 ( 3.226 0.000 3.577) 4.817 4.339 ( 2.171 0.000 2.310) 3.170 4.356 ( 0.359 0.000 2.792) 2.814 4.519 ( 2.798 0.000 -5.505) 6.175 4.692 ( -0.545 0.000 -0.603) 0.813 4.736 ( -0.664 0.000 -1.819) 1.936 5.780 ( -2.244 0.000 0.281) 2.262 5.826 ( 6.927 0.000 -1.932) 7.191 6.848 ( 2.139 0.000 0.879) 2.312 6.863 ( -3.055 0.000 -0.284) 3.068 6.878 ( 1.564 0.000 -0.120) 1.569 6.917 ( -0.321 0.000 -1.543) 1.576 7.067 ( 2.454 0.000 1.089) 2.684 7.075 ( 1.223 0.000 0.580) 1.353 7.095 ( 0.608 0.000 2.948) 3.010 7.214 ( -9.533 0.000 -1.039) 9.589 7.217 ( -0.867 0.000 1.355) 1.608 7.286 ( -1.060 0.000 -3.249) 3.417 ======================= Grid point 66 (32/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 3.661 0.000 8.474) 9.231 0.799 ( 3.179 0.000 7.328) 7.988 0.924 ( -1.087 0.000 -0.108) 1.093 0.946 ( -2.478 0.000 0.584) 2.546 0.981 ( -3.022 0.000 2.185) 3.729 1.068 ( 4.151 0.000 0.925) 4.253 1.113 ( -0.683 0.000 -3.474) 3.540 1.130 ( 0.523 0.000 0.059) 0.527 1.236 ( 0.090 0.000 -0.667) 0.673 1.307 ( 5.941 0.000 0.128) 5.943 1.345 ( -5.089 0.000 1.634) 5.345 1.393 ( -5.367 0.000 0.563) 5.396 1.407 ( -0.965 0.000 3.553) 3.682 1.445 ( -0.137 0.000 2.206) 2.211 1.515 ( 0.862 0.000 4.665) 4.744 1.554 ( -0.863 0.000 2.798) 2.928 1.557 ( -1.255 0.000 -1.021) 1.618 1.698 ( 0.440 0.000 2.519) 2.557 1.704 ( 2.656 0.000 -3.380) 4.299 1.746 ( 0.824 0.000 -1.922) 2.091 1.824 ( 1.741 0.000 -0.900) 1.960 1.832 ( -0.140 0.000 -6.937) 6.938 1.995 ( -3.415 0.000 1.308) 3.657 2.020 ( 2.637 0.000 6.521) 7.034 2.075 ( -0.553 0.000 0.458) 0.718 2.123 ( -8.368 0.000 -4.910) 9.702 2.142 ( -4.070 0.000 2.446) 4.749 2.169 ( -0.307 0.000 -1.901) 1.926 2.195 ( 0.275 0.000 1.490) 1.516 2.212 ( 0.691 0.000 1.515) 1.666 2.280 ( 0.270 0.000 2.385) 2.400 2.289 ( -2.333 0.000 0.698) 2.435 2.308 ( -3.101 0.000 2.527) 4.000 2.377 ( 1.310 0.000 -1.367) 1.894 2.401 ( 0.688 0.000 2.343) 2.442 2.437 ( -0.793 0.000 1.897) 2.056 2.451 ( -1.349 0.000 -0.983) 1.669 2.562 ( 1.248 0.000 -0.750) 1.456 2.567 ( -0.573 0.000 -2.348) 2.417 2.629 ( 1.162 0.000 3.477) 3.666 2.665 ( 4.552 0.000 -2.686) 5.285 2.701 ( 3.078 0.000 3.632) 4.761 2.732 ( 1.056 0.000 -2.618) 2.824 2.748 ( 1.199 0.000 -5.041) 5.182 2.763 ( -1.916 0.000 -0.173) 1.924 2.831 ( 1.519 0.000 -1.160) 1.911 2.879 ( 2.599 0.000 -3.275) 4.181 2.920 ( 3.215 0.000 -2.515) 4.082 3.004 ( -0.342 0.000 0.097) 0.355 3.013 ( -0.094 0.000 0.832) 0.837 3.119 ( -0.110 0.000 -1.022) 1.027 3.160 ( 1.095 0.000 -3.641) 3.802 3.233 ( -0.938 0.000 -1.408) 1.692 3.247 ( 1.258 0.000 0.974) 1.590 3.362 ( -1.478 0.000 0.204) 1.492 3.410 ( -0.421 0.000 -1.432) 1.492 3.466 ( -2.127 0.000 1.062) 2.377 3.506 ( 0.588 0.000 1.426) 1.542 3.510 ( 0.438 0.000 2.857) 2.890 3.584 ( 2.417 0.000 -1.735) 2.975 3.747 ( -0.659 0.000 3.763) 3.820 3.774 ( -1.997 0.000 -1.942) 2.786 3.842 ( -0.426 0.000 3.290) 3.317 3.931 ( 0.724 0.000 -1.969) 2.097 4.102 ( 0.476 0.000 0.714) 0.858 4.120 ( -0.045 0.000 0.888) 0.889 4.349 ( -1.506 0.000 -1.306) 1.993 4.366 ( 1.081 0.000 1.981) 2.257 4.392 ( 1.436 0.000 1.413) 2.014 4.451 ( -2.840 0.000 -7.068) 7.617 4.692 ( 0.289 0.000 0.655) 0.716 4.709 ( -0.519 0.000 -1.177) 1.287 5.750 ( -0.963 0.000 0.494) 1.083 5.925 ( 5.943 0.000 -4.887) 7.694 6.816 ( -1.474 0.000 -0.158) 1.483 6.872 ( -0.991 0.000 0.630) 1.174 6.899 ( -0.046 0.000 -1.796) 1.797 6.934 ( 3.804 0.000 0.661) 3.860 7.019 ( -4.250 0.000 0.736) 4.313 7.055 ( -2.082 0.000 -0.776) 2.222 7.149 ( 0.193 0.000 3.714) 3.719 7.151 ( -0.087 0.000 1.085) 1.088 7.230 ( -1.823 0.000 -1.726) 2.511 7.245 ( 1.439 0.000 3.092) 3.410 ======================= Grid point 67 (33/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -2.057 0.000 -1.404) 2.490 0.855 ( -0.825 0.000 3.022) 3.133 0.919 ( -2.652 0.000 -1.380) 2.989 0.978 ( 4.727 0.000 2.755) 5.471 1.008 ( 0.093 0.000 6.000) 6.001 1.063 ( 0.189 0.000 -1.027) 1.044 1.089 ( 0.593 0.000 -3.193) 3.247 1.133 ( 3.634 0.000 -2.804) 4.590 1.204 ( -6.023 0.000 -1.399) 6.183 1.304 ( -3.782 0.000 2.104) 4.328 1.319 ( 3.686 0.000 5.015) 6.224 1.398 ( 2.489 0.000 1.342) 2.828 1.448 ( -3.060 0.000 4.520) 5.459 1.450 ( -0.263 0.000 -1.146) 1.175 1.495 ( -3.042 0.000 -2.647) 4.032 1.528 ( 1.012 0.000 -5.133) 5.232 1.598 ( -0.188 0.000 3.133) 3.139 1.656 ( 0.289 0.000 -7.629) 7.634 1.673 ( -0.498 0.000 0.080) 0.504 1.743 ( -2.350 0.000 -3.851) 4.511 1.767 ( 0.154 0.000 5.210) 5.213 1.815 ( -3.645 0.000 -4.127) 5.506 1.901 ( -2.428 0.000 -5.480) 5.994 1.935 ( -2.051 0.000 -1.862) 2.770 2.012 ( -8.053 0.000 -1.047) 8.121 2.112 ( -4.956 0.000 2.441) 5.525 2.131 ( 0.654 0.000 2.492) 2.577 2.157 ( 0.916 0.000 2.951) 3.090 2.232 ( 1.275 0.000 1.892) 2.281 2.239 ( 1.365 0.000 2.189) 2.580 2.293 ( 0.876 0.000 4.891) 4.969 2.337 ( 4.422 0.000 8.520) 9.599 2.398 ( 1.966 0.000 -0.149) 1.972 2.404 ( 1.901 0.000 3.834) 4.279 2.415 ( -0.880 0.000 -2.361) 2.519 2.435 ( -0.159 0.000 0.043) 0.164 2.504 ( 5.174 0.000 6.349) 8.190 2.582 ( 2.158 0.000 2.510) 3.310 2.583 ( 1.103 0.000 1.283) 1.691 2.686 ( 1.389 0.000 4.082) 4.311 2.695 ( -0.079 0.000 -3.419) 3.420 2.710 ( 1.268 0.000 -5.515) 5.659 2.734 ( -1.132 0.000 1.545) 1.915 2.738 ( 2.444 0.000 -1.790) 3.030 2.807 ( 4.278 0.000 1.208) 4.445 2.845 ( 1.156 0.000 -0.704) 1.354 2.860 ( -0.219 0.000 -4.840) 4.845 2.937 ( 0.285 0.000 -1.643) 1.667 2.988 ( -1.160 0.000 -0.547) 1.282 3.011 ( -0.920 0.000 -0.580) 1.088 3.093 ( -1.060 0.000 -0.227) 1.084 3.130 ( -0.907 0.000 -3.432) 3.550 3.194 ( -0.055 0.000 -3.768) 3.768 3.270 ( 1.383 0.000 -2.251) 2.642 3.363 ( 0.529 0.000 3.093) 3.138 3.408 ( 1.066 0.000 -0.649) 1.248 3.428 ( -1.756 0.000 -0.371) 1.795 3.533 ( -0.625 0.000 3.089) 3.152 3.552 ( 0.855 0.000 3.327) 3.436 3.607 ( 1.759 0.000 -2.855) 3.354 3.709 ( -2.545 0.000 -2.396) 3.496 3.766 ( 0.661 0.000 2.268) 2.362 3.892 ( 1.435 0.000 5.408) 5.595 3.953 ( 2.009 0.000 0.654) 2.113 4.103 ( -0.044 0.000 -1.639) 1.640 4.122 ( -0.092 0.000 0.378) 0.389 4.280 ( -3.108 0.000 -4.987) 5.877 4.332 ( -3.341 0.000 -5.454) 6.396 4.365 ( -1.878 0.000 -0.431) 1.927 4.394 ( -1.075 0.000 -2.234) 2.480 4.706 ( 0.278 0.000 1.166) 1.198 4.707 ( 0.657 0.000 0.675) 0.942 5.758 ( 0.610 0.000 1.744) 1.847 5.950 ( 1.510 0.000 -4.672) 4.910 6.810 ( 0.535 0.000 0.678) 0.864 6.839 ( -1.902 0.000 -0.088) 1.904 6.887 ( 0.774 0.000 -2.125) 2.261 6.963 ( -0.282 0.000 0.712) 0.766 7.009 ( -1.755 0.000 -1.032) 2.036 7.035 ( 1.353 0.000 0.047) 1.353 7.119 ( 0.473 0.000 -3.168) 3.203 7.154 ( -2.343 0.000 2.421) 3.368 7.241 ( 1.156 0.000 4.077) 4.238 7.299 ( 0.213 0.000 4.231) 4.236 ======================= Grid point 68 (34/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -4.057 0.000 0.350) 4.073 0.772 ( -9.957 0.000 -0.199) 9.959 0.864 ( -1.264 0.000 2.328) 2.649 0.903 ( -7.732 0.000 1.987) 7.983 1.058 ( -1.645 0.000 1.544) 2.256 1.110 ( 4.055 0.000 2.727) 4.887 1.128 ( 1.331 0.000 -1.798) 2.237 1.197 ( 2.353 0.000 -4.403) 4.992 1.200 ( 5.502 0.000 0.143) 5.504 1.306 ( 2.792 0.000 1.693) 3.265 1.327 ( -7.886 0.000 -1.773) 8.083 1.361 ( -2.083 0.000 0.252) 2.099 1.400 ( -2.068 0.000 -3.780) 4.308 1.428 ( 1.395 0.000 0.245) 1.416 1.489 ( 1.337 0.000 7.290) 7.412 1.518 ( 0.593 0.000 -2.417) 2.489 1.551 ( -7.173 0.000 2.961) 7.761 1.638 ( 2.289 0.000 -0.889) 2.455 1.654 ( -3.919 0.000 -7.175) 8.176 1.677 ( 0.106 0.000 1.021) 1.027 1.751 ( 3.575 0.000 1.079) 3.735 1.832 ( 0.650 0.000 1.573) 1.702 1.866 ( -5.137 0.000 -2.527) 5.725 1.876 ( 2.786 0.000 -3.969) 4.849 1.953 ( 3.459 0.000 1.425) 3.741 2.025 ( -3.120 0.000 -0.296) 3.134 2.175 ( 0.008 0.000 2.844) 2.844 2.192 ( 1.517 0.000 1.642) 2.236 2.259 ( -0.362 0.000 2.284) 2.312 2.281 ( 1.622 0.000 2.052) 2.615 2.319 ( -1.544 0.000 0.182) 1.554 2.381 ( 0.383 0.000 -3.736) 3.756 2.418 ( -0.162 0.000 1.943) 1.950 2.441 ( 2.386 0.000 0.814) 2.521 2.490 ( 0.056 0.000 5.424) 5.425 2.518 ( 4.202 0.000 8.546) 9.523 2.550 ( -0.706 0.000 -0.955) 1.187 2.625 ( 1.536 0.000 0.807) 1.735 2.640 ( -0.197 0.000 -3.520) 3.525 2.651 ( 0.375 0.000 0.479) 0.608 2.704 ( -0.302 0.000 -0.135) 0.331 2.732 ( 0.425 0.000 1.205) 1.278 2.752 ( 0.492 0.000 2.223) 2.277 2.765 ( 2.408 0.000 -2.833) 3.718 2.810 ( 2.327 0.000 1.217) 2.626 2.851 ( -0.162 0.000 -1.244) 1.254 2.914 ( 3.656 0.000 -0.707) 3.724 2.921 ( -0.878 0.000 -1.514) 1.750 2.954 ( -1.393 0.000 -1.004) 1.717 2.974 ( -1.808 0.000 1.538) 2.374 3.063 ( -1.976 0.000 -4.903) 5.286 3.106 ( 2.005 0.000 0.588) 2.090 3.164 ( 0.230 0.000 -4.474) 4.480 3.255 ( 0.312 0.000 -4.517) 4.528 3.375 ( -2.457 0.000 1.612) 2.938 3.423 ( 1.310 0.000 -1.175) 1.760 3.446 ( 2.452 0.000 3.427) 4.214 3.540 ( -1.480 0.000 3.700) 3.985 3.586 ( -1.419 0.000 -1.625) 2.158 3.604 ( 1.594 0.000 2.935) 3.340 3.656 ( -1.812 0.000 0.261) 1.831 3.819 ( 3.517 0.000 -1.138) 3.697 3.975 ( 1.782 0.000 5.239) 5.533 3.994 ( 1.189 0.000 -0.384) 1.249 4.076 ( -0.084 0.000 -3.443) 3.444 4.116 ( -0.841 0.000 -1.068) 1.359 4.196 ( -1.000 0.000 -0.000) 1.000 4.232 ( -2.823 0.000 -3.916) 4.827 4.296 ( -3.700 0.000 -2.728) 4.597 4.326 ( -2.401 0.000 -4.349) 4.968 4.721 ( -0.043 0.000 1.543) 1.543 4.734 ( 0.976 0.000 1.265) 1.598 5.792 ( 0.701 0.000 2.476) 2.574 5.910 ( -1.521 0.000 -3.826) 4.118 6.816 ( -0.243 0.000 -0.571) 0.621 6.840 ( 1.720 0.000 0.604) 1.823 6.897 ( 2.148 0.000 -1.121) 2.423 6.957 ( -1.817 0.000 -1.343) 2.259 6.979 ( -0.599 0.000 -0.492) 0.775 6.986 ( -1.564 0.000 -1.008) 1.861 7.113 ( -3.672 0.000 1.284) 3.890 7.181 ( 5.441 0.000 -1.313) 5.597 7.317 ( -1.915 0.000 3.409) 3.910 7.317 ( 2.554 0.000 4.789) 5.428 ======================= Grid point 69 (35/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -9.643 0.000 10.149) 14.000 0.649 ( -9.594 0.000 6.886) 11.809 0.842 ( -1.540 0.000 2.905) 3.288 0.863 ( -1.547 0.000 1.865) 2.423 1.035 ( -3.678 0.000 4.068) 5.484 1.114 ( -1.384 0.000 -1.242) 1.859 1.121 ( -7.424 0.000 3.568) 8.237 1.142 ( -0.998 0.000 -4.812) 4.914 1.212 ( 0.084 0.000 5.377) 5.378 1.256 ( -3.326 0.000 -6.000) 6.860 1.320 ( 4.137 0.000 -0.670) 4.191 1.388 ( -5.615 0.000 3.098) 6.413 1.399 ( 4.369 0.000 0.704) 4.425 1.455 ( 0.863 0.000 -2.027) 2.203 1.473 ( -2.534 0.000 0.665) 2.620 1.510 ( 6.593 0.000 -1.335) 6.727 1.569 ( -0.535 0.000 3.468) 3.509 1.581 ( 0.836 0.000 -0.573) 1.013 1.709 ( 2.568 0.000 1.707) 3.084 1.717 ( 4.059 0.000 -0.525) 4.093 1.798 ( -0.429 0.000 -2.007) 2.052 1.799 ( -0.802 0.000 -4.866) 4.932 1.831 ( 3.212 0.000 1.042) 3.377 1.921 ( 4.103 0.000 -0.867) 4.194 1.989 ( -0.309 0.000 -0.979) 1.026 2.059 ( 5.437 0.000 2.474) 5.973 2.186 ( -0.587 0.000 0.848) 1.032 2.232 ( 1.415 0.000 -0.151) 1.423 2.261 ( -2.403 0.000 0.085) 2.404 2.288 ( 0.660 0.000 1.941) 2.050 2.329 ( -0.289 0.000 0.547) 0.618 2.359 ( 2.157 0.000 -3.024) 3.715 2.395 ( -4.230 0.000 1.641) 4.538 2.470 ( -2.675 0.000 0.631) 2.748 2.487 ( 1.306 0.000 1.148) 1.739 2.556 ( 0.781 0.000 0.954) 1.233 2.582 ( -1.789 0.000 -2.783) 3.309 2.617 ( 2.411 0.000 -0.044) 2.412 2.661 ( -2.857 0.000 -2.838) 4.027 2.668 ( 0.753 0.000 1.452) 1.636 2.693 ( 1.460 0.000 3.087) 3.414 2.740 ( -0.665 0.000 0.682) 0.952 2.779 ( -0.692 0.000 -0.801) 1.058 2.794 ( 2.220 0.000 -0.626) 2.307 2.827 ( 0.850 0.000 -1.600) 1.812 2.830 ( -1.315 0.000 -3.278) 3.532 2.872 ( -1.517 0.000 -0.063) 1.518 2.929 ( -0.193 0.000 1.655) 1.666 2.946 ( 0.133 0.000 -1.677) 1.682 2.990 ( 0.059 0.000 -1.977) 1.977 3.019 ( 1.452 0.000 1.995) 2.467 3.098 ( -0.824 0.000 -4.703) 4.775 3.164 ( 1.651 0.000 1.123) 1.997 3.209 ( -0.679 0.000 -4.412) 4.464 3.346 ( -1.733 0.000 1.084) 2.044 3.436 ( 0.875 0.000 -0.934) 1.279 3.512 ( 0.338 0.000 3.819) 3.834 3.537 ( -1.249 0.000 -1.384) 1.864 3.559 ( -0.418 0.000 2.544) 2.578 3.611 ( -1.450 0.000 -0.066) 1.451 3.687 ( 1.438 0.000 4.945) 5.150 3.804 ( -1.340 0.000 -8.556) 8.661 3.992 ( 0.699 0.000 1.236) 1.420 4.001 ( -1.342 0.000 -0.846) 1.586 4.072 ( 0.996 0.000 -0.413) 1.078 4.095 ( -1.520 0.000 -3.183) 3.527 4.187 ( 1.123 0.000 4.904) 5.031 4.216 ( -1.680 0.000 -1.583) 2.308 4.257 ( -0.914 0.000 -2.338) 2.510 4.270 ( 4.380 0.000 4.802) 6.500 4.726 ( -0.883 0.000 1.290) 1.563 4.756 ( 0.648 0.000 0.039) 0.649 5.817 ( -0.345 0.000 2.145) 2.173 5.834 ( -3.277 0.000 -2.642) 4.209 6.815 ( 0.332 0.000 -0.226) 0.402 6.877 ( 2.453 0.000 -0.926) 2.622 6.885 ( -2.266 0.000 -2.034) 3.045 6.941 ( 1.551 0.000 1.260) 1.998 6.984 ( 1.277 0.000 0.698) 1.455 6.994 ( 1.423 0.000 0.018) 1.423 7.048 ( -3.664 0.000 0.184) 3.669 7.258 ( 4.306 0.000 -2.026) 4.758 7.292 ( -3.092 0.000 1.981) 3.673 7.405 ( 2.898 0.000 1.812) 3.418 ======================= Grid point 70 (36/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -6.448 0.000 12.291) 13.879 0.632 ( -3.827 0.000 15.732) 16.191 0.835 ( -2.107 0.000 5.221) 5.630 0.877 ( 2.082 0.000 3.046) 3.689 1.049 ( -3.630 0.000 -0.432) 3.656 1.049 ( -0.769 0.000 13.873) 13.894 1.083 ( 0.000 0.000 0.193) 0.193 1.133 ( 3.661 0.000 -3.903) 5.351 1.205 ( -3.848 0.000 5.362) 6.600 1.258 ( -1.146 0.000 8.398) 8.476 1.269 ( -2.408 0.000 -1.268) 2.722 1.319 ( -4.717 0.000 -3.552) 5.905 1.423 ( -2.061 0.000 -1.676) 2.657 1.472 ( 2.290 0.000 2.142) 3.136 1.478 ( 1.110 0.000 -1.813) 2.126 1.560 ( -0.725 0.000 -1.375) 1.554 1.601 ( 4.971 0.000 -2.755) 5.684 1.642 ( 3.720 0.000 -0.467) 3.749 1.707 ( 0.963 0.000 -3.671) 3.795 1.744 ( -2.480 0.000 -2.340) 3.409 1.770 ( -0.059 0.000 -3.314) 3.315 1.832 ( 2.202 0.000 1.641) 2.747 1.872 ( 4.379 0.000 1.831) 4.746 2.002 ( 2.207 0.000 -2.084) 3.035 2.019 ( 4.267 0.000 4.796) 6.420 2.173 ( 2.591 0.000 0.290) 2.607 2.196 ( 0.687 0.000 2.040) 2.153 2.212 ( -1.265 0.000 -0.911) 1.559 2.235 ( -0.633 0.000 -0.634) 0.895 2.259 ( -1.896 0.000 -2.497) 3.135 2.323 ( -2.784 0.000 2.780) 3.934 2.365 ( 0.983 0.000 3.968) 4.088 2.411 ( 1.651 0.000 -1.232) 2.060 2.431 ( -1.299 0.000 -2.216) 2.569 2.471 ( -1.866 0.000 -3.444) 3.917 2.503 ( -2.084 0.000 -2.164) 3.004 2.570 ( -2.832 0.000 -3.188) 4.265 2.573 ( 0.484 0.000 0.070) 0.489 2.624 ( -1.588 0.000 -0.942) 1.846 2.646 ( -4.698 0.000 -4.145) 6.265 2.686 ( -2.968 0.000 -3.971) 4.958 2.727 ( -3.508 0.000 -0.317) 3.523 2.730 ( 2.193 0.000 -1.395) 2.599 2.779 ( 0.888 0.000 0.092) 0.893 2.816 ( -0.839 0.000 0.539) 0.997 2.831 ( 0.454 0.000 -0.484) 0.664 2.886 ( -3.387 0.000 -0.799) 3.480 2.902 ( 1.308 0.000 -3.013) 3.285 2.957 ( 1.447 0.000 -1.507) 2.089 2.965 ( 1.859 0.000 0.013) 1.859 3.070 ( 0.786 0.000 -0.142) 0.798 3.094 ( 2.833 0.000 2.336) 3.672 3.177 ( 0.525 0.000 -0.560) 0.768 3.211 ( 1.673 0.000 1.908) 2.537 3.341 ( 0.211 0.000 1.611) 1.625 3.433 ( -0.082 0.000 -1.356) 1.358 3.505 ( -2.924 0.000 0.707) 3.009 3.513 ( 1.391 0.000 -2.276) 2.668 3.572 ( -1.143 0.000 1.354) 1.771 3.581 ( -2.376 0.000 1.081) 2.610 3.707 ( -1.877 0.000 -1.946) 2.703 3.754 ( 1.372 0.000 4.052) 4.278 3.943 ( -3.016 0.000 -2.952) 4.220 4.002 ( -1.217 0.000 -1.544) 1.966 4.066 ( 1.389 0.000 0.327) 1.427 4.069 ( 0.005 0.000 -0.123) 0.124 4.218 ( 1.684 0.000 1.880) 2.524 4.276 ( 2.353 0.000 1.766) 2.942 4.286 ( 2.531 0.000 6.213) 6.709 4.426 ( 8.361 0.000 1.054) 8.427 4.712 ( -1.164 0.000 0.202) 1.181 4.757 ( 0.030 0.000 -1.334) 1.334 5.771 ( -0.849 0.000 -0.309) 0.903 5.813 ( -1.733 0.000 1.169) 2.091 6.819 ( 0.417 0.000 0.119) 0.434 6.860 ( 0.627 0.000 -0.687) 0.930 6.903 ( 0.133 0.000 -0.279) 0.309 6.948 ( -1.614 0.000 -1.135) 1.973 7.001 ( 1.111 0.000 1.946) 2.241 7.030 ( 2.266 0.000 0.413) 2.303 7.049 ( 2.433 0.000 1.579) 2.901 7.247 ( -2.987 0.000 1.063) 3.170 7.296 ( 1.999 0.000 -3.038) 3.637 7.399 ( -3.873 0.000 -3.906) 5.500 ======================= Grid point 71 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -1.825 2.000 10.627) 10.966 0.713 ( 0.074 3.981 9.227) 10.050 0.877 ( -0.010 -3.907 2.008) 4.393 0.929 ( 1.045 -0.216 1.108) 1.539 0.939 ( -1.053 -5.841 3.290) 6.786 1.001 ( -0.239 -2.585 1.357) 2.930 1.089 ( -3.367 -1.842 3.692) 5.325 1.145 ( -0.404 -2.049 2.368) 3.157 1.201 ( 2.213 -1.411 0.979) 2.802 1.275 ( 1.547 1.810 -3.341) 4.103 1.307 ( -1.361 -1.822 1.509) 2.729 1.367 ( 3.390 3.042 13.954) 14.679 1.427 ( -0.391 1.979 4.039) 4.515 1.445 ( -0.690 -0.714 -0.792) 1.270 1.471 ( -4.689 -0.522 1.978) 5.116 1.531 ( -0.226 -3.210 1.539) 3.567 1.599 ( 0.772 -1.255 -2.030) 2.508 1.646 ( 2.913 -3.226 -2.986) 5.273 1.692 ( 3.352 1.811 -2.468) 4.540 1.747 ( 0.506 0.182 -1.426) 1.525 1.755 ( 2.668 3.156 1.686) 4.463 1.867 ( 2.971 2.230 1.689) 4.081 2.005 ( 2.734 -0.449 0.691) 2.856 2.045 ( 1.185 2.010 1.417) 2.730 2.104 ( -0.945 -1.133 2.125) 2.587 2.138 ( -2.496 1.560 -0.315) 2.960 2.172 ( -1.813 1.820 -1.418) 2.934 2.212 ( -3.156 0.794 -1.972) 3.805 2.234 ( -2.135 -1.675 0.847) 2.843 2.248 ( -2.223 0.208 0.504) 2.288 2.324 ( -3.550 -0.763 -2.010) 4.150 2.345 ( -1.384 -0.961 -4.432) 4.741 2.383 ( -0.458 0.766 1.085) 1.405 2.401 ( -1.095 1.245 -4.383) 4.686 2.422 ( -3.140 -0.476 -0.038) 3.176 2.458 ( -1.468 -0.068 -0.317) 1.503 2.479 ( -1.195 -1.552 0.130) 1.963 2.507 ( -0.967 0.621 -0.625) 1.308 2.560 ( -0.285 -1.549 -0.638) 1.700 2.628 ( 1.795 2.776 -1.995) 3.861 2.655 ( 0.568 1.192 -1.683) 2.139 2.688 ( -0.366 -1.578 -0.124) 1.624 2.724 ( -0.907 0.214 -0.602) 1.109 2.753 ( 0.115 0.405 -1.465) 1.524 2.813 ( 1.286 0.524 1.375) 1.954 2.815 ( 0.370 1.047 -5.227) 5.344 2.864 ( 0.885 -0.171 -3.922) 4.024 2.931 ( 0.367 0.695 -1.506) 1.699 2.966 ( 1.567 -0.639 -3.760) 4.123 2.977 ( 2.007 -1.734 -1.444) 3.020 3.109 ( -1.232 0.843 0.450) 1.559 3.150 ( 4.045 0.129 0.289) 4.058 3.191 ( 0.406 -2.072 0.508) 2.172 3.206 ( -0.380 -2.764 -0.270) 2.804 3.394 ( -0.437 1.422 0.714) 1.650 3.423 ( -1.007 0.744 -0.463) 1.335 3.442 ( 0.310 -0.642 0.430) 0.832 3.510 ( -0.035 -2.331 -1.236) 2.638 3.569 ( -1.217 3.571 3.342) 5.040 3.601 ( -0.633 3.693 1.886) 4.195 3.709 ( -0.464 -0.528 3.401) 3.473 3.778 ( -0.168 -2.457 2.535) 3.534 3.905 ( -0.607 4.067 -1.577) 4.404 3.999 ( -1.107 3.911 -2.817) 4.946 4.049 ( 1.896 -2.341 0.289) 3.026 4.119 ( -0.238 0.291 0.413) 0.558 4.304 ( 2.747 0.798 3.224) 4.310 4.332 ( 2.094 -0.427 2.590) 3.358 4.352 ( 0.731 -0.363 2.629) 2.753 4.454 ( 2.454 -5.438 -2.538) 6.484 4.688 ( -0.605 -0.087 -0.440) 0.753 4.723 ( -0.627 -1.213 -1.645) 2.137 5.782 ( -1.456 0.253 0.340) 1.516 5.811 ( 4.173 -1.158 -0.773) 4.399 6.833 ( -1.116 -0.902 -0.278) 1.461 6.842 ( 0.843 -0.950 -0.310) 1.307 6.906 ( 0.780 1.405 0.102) 1.611 6.923 ( 0.266 0.365 -0.623) 0.770 7.063 ( 1.019 -0.097 2.188) 2.416 7.072 ( 0.965 -0.298 0.672) 1.214 7.105 ( 0.960 0.834 1.620) 2.059 7.170 ( -1.313 -2.344 0.419) 2.719 7.277 ( -5.704 3.302 -2.141) 6.930 7.306 ( -1.547 1.347 -3.109) 3.725 ======================= Grid point 72 (38/60) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 1.992 -0.292 6.420) 6.728 0.828 ( 3.043 2.404 5.707) 6.901 0.852 ( -1.215 -5.306 0.523) 5.469 0.938 ( -3.171 -1.731 0.518) 3.649 0.954 ( 0.668 -1.292 1.636) 2.189 1.040 ( 2.584 -2.402 1.571) 3.862 1.118 ( 2.110 -0.557 4.199) 4.732 1.150 ( 0.952 1.447 -2.263) 2.849 1.214 ( 0.591 -1.706 -2.557) 3.130 1.273 ( 0.597 -4.768 1.828) 5.142 1.317 ( -4.746 -1.287 2.280) 5.420 1.355 ( -1.814 -0.537 0.413) 1.936 1.379 ( -5.517 -1.548 1.753) 5.992 1.430 ( 0.157 -0.945 0.561) 1.110 1.513 ( 1.620 0.003 2.030) 2.597 1.544 ( 0.007 -0.517 0.298) 0.597 1.619 ( 1.098 2.226 1.284) 2.794 1.681 ( 0.849 -0.000 -3.257) 3.366 1.726 ( 1.076 1.661 -0.691) 2.097 1.776 ( 1.030 -1.838 -3.286) 3.903 1.815 ( -0.107 3.940 1.184) 4.116 1.874 ( -1.798 3.926 -2.180) 4.837 2.034 ( -2.550 0.475 -0.112) 2.596 2.048 ( -0.718 1.160 2.213) 2.600 2.077 ( -1.561 0.331 0.960) 1.862 2.091 ( -1.978 0.706 1.396) 2.522 2.146 ( -2.728 -0.898 1.580) 3.277 2.167 ( -0.700 -0.442 0.826) 1.170 2.175 ( -1.332 -0.778 -2.216) 2.700 2.222 ( 3.387 0.032 3.165) 4.636 2.278 ( -1.341 0.098 1.884) 2.315 2.307 ( -1.138 0.945 2.959) 3.308 2.335 ( -2.456 1.909 1.528) 3.466 2.378 ( 0.945 0.121 -0.926) 1.329 2.413 ( -0.870 0.698 0.782) 1.362 2.454 ( -0.565 2.572 1.320) 2.946 2.473 ( 1.110 -1.206 0.472) 1.706 2.528 ( 2.108 -0.051 0.166) 2.115 2.544 ( -0.501 -1.701 -0.997) 2.034 2.625 ( 0.511 -0.344 -1.229) 1.375 2.665 ( 0.498 2.091 -1.829) 2.822 2.683 ( 1.271 -2.246 -0.062) 2.582 2.717 ( 0.473 -0.615 -1.298) 1.512 2.775 ( 0.798 -1.378 0.937) 1.847 2.787 ( 2.242 1.757 -4.046) 4.948 2.842 ( 0.323 0.199 -3.857) 3.876 2.859 ( 1.936 1.817 1.704) 3.155 2.923 ( -0.060 -2.433 -0.424) 2.471 2.967 ( 2.318 -0.436 -5.493) 5.978 3.005 ( 2.593 -3.042 -2.495) 4.712 3.099 ( -0.624 1.616 1.212) 2.114 3.171 ( -0.997 -1.254 -1.460) 2.167 3.196 ( 0.489 -2.873 -0.466) 2.952 3.223 ( 2.743 -1.297 -2.052) 3.663 3.375 ( -1.649 1.524 0.502) 2.301 3.414 ( -0.321 0.182 -0.495) 0.617 3.458 ( -0.191 -0.508 2.066) 2.136 3.496 ( 0.954 -2.300 -0.542) 2.548 3.575 ( -1.633 5.021 2.598) 5.885 3.612 ( 0.736 4.510 1.051) 4.689 3.728 ( -1.469 -1.809 3.690) 4.364 3.780 ( -1.208 -2.060 0.814) 2.522 3.885 ( -0.531 5.432 -0.847) 5.523 3.977 ( 1.059 3.984 -1.013) 4.244 4.076 ( 0.501 -2.604 0.115) 2.654 4.115 ( -0.048 -1.014 -0.252) 1.046 4.340 ( -1.043 -0.420 -0.347) 1.176 4.366 ( -0.116 -0.372 0.440) 0.588 4.389 ( 1.672 -0.073 1.016) 1.958 4.427 ( -1.137 -1.985 -4.321) 4.889 4.685 ( 0.104 -0.501 0.413) 0.657 4.699 ( -0.459 -0.899 -0.969) 1.399 5.764 ( -0.553 1.441 0.433) 1.604 5.880 ( 4.010 -3.796 -2.605) 6.106 6.814 ( 0.059 0.407 -0.148) 0.437 6.870 ( 1.047 -1.444 -0.312) 1.811 6.913 ( -0.060 1.792 -0.892) 2.003 6.942 ( 2.406 0.384 -0.089) 2.438 7.027 ( -4.189 0.661 0.486) 4.269 7.050 ( -2.339 -0.466 -0.319) 2.406 7.138 ( 0.323 0.264 0.978) 1.063 7.173 ( -0.143 0.228 -0.045) 0.273 7.227 ( -0.835 0.746 1.998) 2.290 7.257 ( -0.835 0.465 1.382) 1.680 ======================= Grid point 73 (39/60) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.170 -2.323 -0.801) 2.463 0.826 ( -1.437 -2.567 0.650) 3.013 0.880 ( -0.434 -1.089 -0.812) 1.426 0.945 ( 1.406 -2.017 2.597) 3.577 0.989 ( 0.380 -1.016 0.185) 1.100 1.057 ( -1.059 -1.725 1.017) 2.265 1.132 ( -0.963 1.348 -1.909) 2.528 1.163 ( 3.892 3.187 -0.595) 5.065 1.191 ( -6.886 -0.400 1.537) 7.067 1.231 ( -3.253 -3.849 3.061) 5.896 1.310 ( 3.412 -4.660 3.836) 6.933 1.331 ( 0.402 -2.914 3.711) 4.735 1.433 ( 2.338 -1.412 -0.222) 2.740 1.447 ( 0.604 -0.277 -1.316) 1.474 1.492 ( -1.243 -0.371 -6.456) 6.585 1.516 ( -1.475 1.935 -0.775) 2.554 1.632 ( -0.189 0.045 -2.132) 2.141 1.662 ( -0.510 -2.042 -0.380) 2.138 1.690 ( -0.936 2.809 0.394) 2.987 1.733 ( -0.393 0.333 -4.862) 4.889 1.787 ( -3.342 -0.360 -3.041) 4.533 1.803 ( -0.101 0.042 1.732) 1.735 1.922 ( -3.692 2.814 -4.999) 6.822 1.952 ( -5.507 2.339 -2.186) 6.370 2.027 ( -6.771 0.717 0.057) 6.809 2.108 ( -3.470 -0.882 -0.991) 3.715 2.168 ( 1.887 2.680 5.146) 6.102 2.188 ( 2.489 -0.458 6.627) 7.094 2.224 ( 1.050 1.711 3.402) 3.950 2.255 ( -0.210 1.175 1.068) 1.601 2.300 ( 0.569 1.193 2.187) 2.555 2.353 ( 2.126 2.931 4.312) 5.631 2.384 ( 0.456 -1.007 2.006) 2.291 2.406 ( 1.873 0.908 1.107) 2.358 2.453 ( 3.743 0.730 3.561) 5.218 2.478 ( 0.559 2.642 2.890) 3.955 2.506 ( 1.258 -1.154 0.996) 1.976 2.554 ( 2.931 -0.214 2.637) 3.948 2.584 ( 3.003 -0.068 1.440) 3.331 2.638 ( 0.472 -2.802 1.778) 3.352 2.647 ( 0.969 -1.511 -2.570) 3.135 2.697 ( 1.364 -0.468 -2.258) 2.680 2.723 ( 0.082 -1.705 0.522) 1.785 2.779 ( -0.564 -2.759 0.384) 2.842 2.805 ( 0.530 -0.237 -3.680) 3.726 2.833 ( 3.307 0.394 -1.539) 3.669 2.883 ( 0.193 2.868 -1.349) 3.175 2.931 ( -1.911 -0.962 -2.197) 3.066 2.935 ( 1.207 -0.950 -0.502) 1.616 3.015 ( 1.177 -3.075 -3.187) 4.583 3.092 ( -1.484 1.475 -0.659) 2.193 3.143 ( -0.447 1.447 0.038) 1.515 3.197 ( 0.596 -1.041 -2.553) 2.821 3.244 ( 2.566 -1.691 -2.884) 4.215 3.365 ( -0.316 0.796 3.123) 3.238 3.410 ( 0.723 -0.022 -0.846) 1.113 3.462 ( -0.502 1.770 0.178) 1.849 3.528 ( 0.871 -1.634 1.714) 2.523 3.574 ( -0.853 3.421 3.028) 4.647 3.629 ( 0.127 3.150 -0.059) 3.154 3.728 ( -0.543 -0.995 -0.785) 1.379 3.749 ( -1.354 -1.178 1.050) 2.079 3.879 ( 0.496 1.620 0.537) 1.777 4.018 ( 2.105 4.396 2.607) 5.527 4.056 ( -0.534 -4.026 -3.485) 5.351 4.125 ( 0.251 -0.439 1.442) 1.529 4.283 ( -2.658 0.440 -4.174) 4.968 4.320 ( -2.649 -0.932 -3.508) 4.493 4.376 ( -1.555 0.771 -1.971) 2.626 4.392 ( -1.148 -0.182 -2.303) 2.580 4.695 ( 0.375 -0.793 1.053) 1.371 4.698 ( 0.494 -0.798 0.733) 1.191 5.772 ( 0.517 1.541 1.310) 2.087 5.903 ( 1.080 -4.089 -2.804) 5.074 6.828 ( 0.894 1.241 0.079) 1.532 6.862 ( -0.829 0.871 -0.929) 1.520 6.895 ( 0.347 2.171 -1.405) 2.609 6.967 ( -0.221 0.450 0.621) 0.799 7.004 ( -1.627 -0.480 -0.802) 1.876 7.027 ( 2.748 -1.224 0.037) 3.009 7.110 ( -1.701 -0.502 -3.046) 3.525 7.137 ( -2.590 -1.318 1.080) 3.100 7.259 ( 0.896 1.358 4.359) 4.652 7.296 ( 0.332 -0.356 4.299) 4.327 ======================= Grid point 74 (40/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -4.973 -0.121 -0.508) 5.000 0.812 ( -1.190 -2.129 2.622) 3.581 0.831 ( -7.091 1.643 0.770) 7.320 0.884 ( -3.876 0.056 0.499) 3.908 0.975 ( -0.205 -5.124 -1.541) 5.355 1.097 ( 0.392 -5.875 -4.334) 7.311 1.108 ( -0.435 0.436 2.917) 2.981 1.128 ( 0.091 -1.352 0.036) 1.355 1.170 ( -3.964 -5.197 3.479) 7.404 1.253 ( 4.872 -0.265 -3.379) 5.935 1.348 ( -2.262 -4.885 4.795) 7.209 1.372 ( 0.231 0.449 -2.016) 2.078 1.420 ( -0.243 0.349 -2.201) 2.242 1.426 ( -2.087 -0.187 -0.876) 2.272 1.463 ( 2.600 2.219 0.643) 3.478 1.512 ( 0.208 1.106 2.480) 2.723 1.596 ( -1.499 1.546 -1.315) 2.523 1.651 ( 1.543 1.377 1.708) 2.682 1.685 ( -1.307 2.509 -6.327) 6.930 1.723 ( -1.719 2.133 2.172) 3.496 1.754 ( 2.677 -0.119 -0.279) 2.694 1.772 ( -6.113 -1.244 -0.244) 6.243 1.866 ( 1.371 -0.904 -3.401) 3.777 1.879 ( 3.141 -2.023 3.877) 5.384 1.958 ( -1.431 2.577 -1.457) 3.289 2.045 ( -1.966 0.874 -1.861) 2.844 2.213 ( -0.029 3.204 0.942) 3.340 2.230 ( 0.483 2.415 2.173) 3.284 2.249 ( -0.926 -0.092 1.266) 1.571 2.291 ( 0.430 -1.694 2.747) 3.256 2.314 ( 1.485 2.193 1.763) 3.181 2.394 ( -0.081 -0.958 0.957) 1.357 2.440 ( 0.538 2.438 1.338) 2.832 2.457 ( -0.073 1.953 0.814) 2.117 2.477 ( 1.825 -0.903 2.627) 3.323 2.533 ( 0.599 1.519 3.852) 4.183 2.558 ( 3.054 -0.110 0.373) 3.079 2.601 ( -0.849 -1.235 0.097) 1.502 2.638 ( 1.615 1.129 0.731) 2.102 2.656 ( -0.626 -2.719 1.800) 3.320 2.701 ( 3.824 -1.816 1.819) 4.608 2.702 ( 1.123 -0.045 -0.312) 1.167 2.716 ( -0.731 -2.204 -1.552) 2.793 2.778 ( -0.037 0.897 -3.005) 3.136 2.793 ( 1.317 -2.823 2.454) 3.966 2.849 ( -0.863 -1.044 -1.679) 2.157 2.858 ( -0.745 -0.401 -0.018) 0.847 2.915 ( 2.695 -0.430 -2.998) 4.054 2.956 ( 0.753 -0.203 -1.178) 1.413 2.986 ( -0.015 -2.136 -4.216) 4.726 3.063 ( -0.660 3.441 0.653) 3.564 3.149 ( -0.088 2.149 1.712) 2.749 3.178 ( 0.700 0.933 -4.252) 4.409 3.263 ( 1.983 -0.800 -3.068) 3.739 3.389 ( -1.305 2.104 2.618) 3.603 3.434 ( 1.473 0.445 0.151) 1.546 3.461 ( 0.963 1.533 1.618) 2.428 3.543 ( -0.700 -1.067 1.932) 2.316 3.581 ( -2.166 1.635 1.188) 2.963 3.622 ( 0.098 1.222 0.486) 1.319 3.676 ( -1.716 1.550 -0.093) 2.315 3.791 ( 2.944 -2.975 -0.884) 4.278 3.911 ( 1.205 -1.617 1.805) 2.707 4.016 ( 0.110 -4.357 -3.871) 5.830 4.080 ( 1.447 4.041 2.472) 4.953 4.133 ( -0.809 0.480 0.136) 0.950 4.202 ( -1.669 0.768 -1.031) 2.106 4.237 ( -2.462 0.174 -3.320) 4.137 4.308 ( -3.139 1.031 -3.027) 4.480 4.328 ( -2.111 0.105 -4.044) 4.563 4.712 ( 0.158 -0.651 1.433) 1.582 4.723 ( 0.912 -0.982 1.215) 1.809 5.797 ( 0.404 0.653 1.852) 2.005 5.876 ( -1.282 -2.841 -2.347) 3.901 6.824 ( -0.144 0.790 -0.769) 1.111 6.856 ( 1.028 0.129 -1.457) 1.788 6.921 ( 2.465 3.389 0.585) 4.231 6.970 ( -0.276 1.042 -0.284) 1.114 6.979 ( -0.476 -0.076 -0.413) 0.635 6.998 ( -2.555 1.456 -1.715) 3.405 7.085 ( -3.622 -2.500 0.868) 4.486 7.138 ( 4.361 -3.932 -1.027) 5.962 7.322 ( 0.569 0.575 3.905) 3.988 7.327 ( 0.682 0.511 3.600) 3.700 ======================= Grid point 75 (41/60) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -8.136 3.370 7.310) 11.445 0.686 ( -9.687 2.465 6.155) 11.739 0.815 ( -1.049 0.374 2.119) 2.394 0.869 ( 1.350 -1.436 0.794) 2.124 0.983 ( -0.940 -6.621 4.194) 7.894 1.027 ( -2.419 -4.390 -0.509) 5.038 1.075 ( -3.611 -0.620 1.696) 4.037 1.130 ( -3.343 -7.686 -0.505) 8.397 1.193 ( 3.291 -2.782 3.061) 5.286 1.256 ( -5.004 2.232 -0.262) 5.485 1.328 ( -2.222 -2.073 -0.629) 3.104 1.341 ( -0.625 2.157 0.156) 2.251 1.408 ( 2.747 -0.553 0.626) 2.872 1.427 ( 0.393 0.553 -1.226) 1.401 1.495 ( -0.696 0.758 -0.113) 1.035 1.535 ( 0.531 -0.576 1.614) 1.794 1.594 ( 0.757 3.021 0.892) 3.240 1.605 ( 0.494 1.917 -2.282) 3.021 1.683 ( -0.770 -3.083 -2.148) 3.836 1.728 ( 1.820 -0.201 -0.047) 1.831 1.755 ( 4.263 0.133 0.583) 4.304 1.803 ( 1.299 -0.767 1.634) 2.224 1.875 ( -1.608 3.167 -4.789) 5.962 1.935 ( 4.750 0.773 1.524) 5.048 1.981 ( 0.746 -0.452 -0.977) 1.309 2.026 ( 3.873 -2.448 1.240) 4.746 2.220 ( -0.107 2.355 1.471) 2.779 2.241 ( 0.314 1.440 -0.770) 1.663 2.269 ( 0.678 -0.585 2.439) 2.598 2.306 ( 0.562 1.978 -0.264) 2.073 2.363 ( -0.421 1.954 1.955) 2.796 2.388 ( 0.324 1.813 -1.097) 2.144 2.422 ( -3.162 0.631 -1.009) 3.378 2.431 ( -0.806 0.980 0.995) 1.612 2.500 ( -0.562 0.282 -0.629) 0.889 2.555 ( 0.505 0.422 3.470) 3.532 2.586 ( -1.571 -3.040 -2.041) 3.985 2.606 ( 0.285 -1.265 1.162) 1.741 2.650 ( -0.648 -2.410 0.111) 2.498 2.673 ( 0.097 1.646 1.573) 2.279 2.683 ( 0.989 -0.615 -2.387) 2.656 2.718 ( -1.149 0.177 -2.171) 2.463 2.753 ( 0.552 -2.401 -0.218) 2.473 2.784 ( -1.645 -1.993 -2.285) 3.450 2.799 ( 3.779 0.691 1.010) 3.972 2.829 ( -2.456 -0.594 -1.305) 2.844 2.852 ( 1.815 -0.641 -0.839) 2.099 2.921 ( 1.652 -1.540 -1.677) 2.813 2.950 ( 0.240 0.031 -0.865) 0.898 2.980 ( 1.769 -0.829 -2.748) 3.372 3.076 ( 0.601 4.073 1.324) 4.325 3.135 ( -0.441 4.131 -2.406) 4.801 3.169 ( -0.004 0.359 -0.307) 0.473 3.252 ( 0.272 1.356 -3.893) 4.132 3.373 ( -1.776 3.091 1.684) 3.943 3.447 ( 0.430 1.182 -0.328) 1.300 3.510 ( -0.255 -0.334 2.789) 2.820 3.526 ( -1.166 -1.700 -1.415) 2.500 3.559 ( -1.007 0.598 3.239) 3.444 3.606 ( -1.587 -0.588 0.281) 1.715 3.698 ( 0.983 1.126 3.267) 3.592 3.779 ( -1.218 -2.317 -5.986) 6.533 3.934 ( 0.529 -1.687 0.240) 1.784 3.999 ( 1.152 -3.191 -2.957) 4.500 4.087 ( -1.296 2.653 0.470) 2.990 4.126 ( 0.082 0.695 0.092) 0.706 4.196 ( 0.220 1.161 3.288) 3.494 4.230 ( -0.241 0.968 0.471) 1.104 4.248 ( -0.606 -0.096 -0.318) 0.691 4.274 ( 1.522 0.022 0.341) 1.560 4.721 ( -0.530 -0.319 0.982) 1.161 4.744 ( 0.590 -1.107 0.059) 1.256 5.812 ( -0.594 -0.409 1.521) 1.683 5.821 ( -2.520 -0.986 -1.399) 3.046 6.825 ( 0.609 1.019 -0.340) 1.235 6.871 ( 1.692 -0.521 -0.918) 1.995 6.909 ( -2.383 1.780 -2.233) 3.719 6.964 ( 0.769 1.535 0.399) 1.763 6.983 ( 0.876 -0.114 0.610) 1.074 7.010 ( 0.803 1.601 0.921) 2.014 7.023 ( -1.661 -1.485 0.038) 2.228 7.194 ( 1.882 -4.532 -0.520) 4.935 7.334 ( 0.081 2.315 0.794) 2.449 7.397 ( 2.431 -0.836 1.432) 2.942 ======================= Grid point 76 (42/60) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.674 4.822 10.358) 12.344 0.644 ( -1.767 1.619 12.167) 12.400 0.837 ( 1.595 -1.491 1.352) 2.568 0.917 ( -0.436 0.304 3.718) 3.756 0.975 ( -2.893 -5.258 0.914) 6.070 0.988 ( -1.896 -3.665 2.253) 4.701 1.080 ( -0.206 0.794 9.554) 9.589 1.117 ( -0.310 -3.638 10.335) 10.961 1.139 ( -5.217 -0.173 1.315) 5.383 1.252 ( -0.880 1.212 -3.224) 3.555 1.277 ( -0.108 -0.960 2.404) 2.591 1.356 ( -0.144 0.916 1.900) 2.115 1.425 ( -0.718 -0.656 -0.947) 1.358 1.450 ( 0.430 -3.116 -1.459) 3.468 1.475 ( 1.188 0.949 -0.134) 1.526 1.521 ( -1.468 -1.627 0.042) 2.192 1.622 ( 0.699 -1.242 -0.537) 1.523 1.636 ( 4.107 1.955 -3.156) 5.536 1.680 ( 2.010 -1.785 -2.446) 3.635 1.711 ( -1.146 -3.031 -2.262) 3.952 1.782 ( 0.092 0.891 -3.516) 3.628 1.826 ( 0.356 -1.268 -1.557) 2.040 1.896 ( 4.637 3.676 4.002) 7.144 2.005 ( 3.601 0.014 0.802) 3.689 2.037 ( 3.480 1.070 2.729) 4.550 2.135 ( 3.687 -2.084 2.173) 4.760 2.218 ( -1.508 1.856 -0.830) 2.531 2.238 ( 0.100 0.779 1.147) 1.390 2.282 ( -2.965 2.777 -2.231) 4.634 2.298 ( -1.931 -0.559 0.205) 2.020 2.322 ( 0.810 0.444 1.325) 1.615 2.356 ( -1.160 4.871 -0.167) 5.010 2.401 ( -0.672 -0.836 -1.192) 1.603 2.465 ( 1.672 0.478 1.233) 2.132 2.496 ( -0.910 0.418 -2.595) 2.781 2.508 ( -3.339 -0.110 -2.286) 4.048 2.539 ( -4.107 -0.676 -1.854) 4.557 2.556 ( -2.712 -2.263 -2.397) 4.269 2.602 ( -0.634 1.407 -2.030) 2.550 2.642 ( -3.543 -1.098 -2.461) 4.451 2.679 ( -0.942 -0.056 -2.471) 2.645 2.696 ( -1.303 -3.807 -1.161) 4.188 2.739 ( 0.348 -1.888 1.070) 2.197 2.775 ( 1.476 -0.734 0.545) 1.737 2.790 ( -1.104 2.603 -2.620) 3.855 2.821 ( 2.016 -0.334 -1.718) 2.669 2.903 ( 0.819 -1.694 -4.870) 5.221 2.927 ( 3.155 1.369 -0.268) 3.449 2.943 ( -0.605 0.819 0.057) 1.020 2.986 ( 0.657 0.727 -2.783) 2.950 3.095 ( 0.724 1.839 0.454) 2.028 3.129 ( -0.036 3.074 0.506) 3.115 3.162 ( 0.780 -0.580 -0.066) 0.975 3.221 ( -0.486 -0.019 -1.780) 1.846 3.375 ( 0.382 2.867 1.928) 3.476 3.446 ( -0.482 1.446 -0.198) 1.537 3.466 ( -1.845 -2.173 -1.514) 3.228 3.513 ( -0.960 -0.986 -0.623) 1.511 3.572 ( -0.919 0.217 3.225) 3.360 3.592 ( -1.357 0.374 2.559) 2.921 3.712 ( -1.304 0.261 -1.074) 1.710 3.744 ( 0.865 -1.151 3.094) 3.413 3.932 ( -0.064 0.253 -2.181) 2.196 4.008 ( 2.188 -2.539 -1.132) 3.538 4.053 ( -2.092 3.582 -1.429) 4.387 4.122 ( -0.581 1.781 0.313) 1.899 4.229 ( 1.889 0.850 2.117) 2.961 4.270 ( 2.214 -0.754 2.193) 3.206 4.285 ( 2.070 0.227 5.435) 5.820 4.375 ( 5.292 -4.108 2.340) 7.097 4.709 ( -1.066 -0.053 -0.101) 1.072 4.743 ( -0.055 -1.230 -1.259) 1.761 5.776 ( -0.691 0.513 -0.055) 0.862 5.806 ( -1.370 -0.661 0.933) 1.785 6.829 ( -0.083 0.976 -0.056) 0.981 6.868 ( -0.501 0.545 -1.310) 1.505 6.895 ( 0.490 -0.485 0.423) 0.809 6.938 ( -1.783 -1.100 -0.863) 2.266 7.008 ( 1.992 0.518 1.115) 2.341 7.025 ( 2.381 -0.412 0.445) 2.457 7.070 ( 1.814 2.100 1.747) 3.279 7.195 ( -1.278 -3.563 0.279) 3.796 7.337 ( 0.514 2.587 -2.158) 3.408 7.399 ( -2.117 -0.288 -3.527) 4.123 ======================= Grid point 77 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.897 -3.112 6.586) 7.339 0.721 ( -0.897 3.112 6.586) 7.339 0.847 ( -0.420 -2.325 4.050) 4.689 0.847 ( -0.420 2.325 4.050) 4.689 0.963 ( 0.155 -1.994 0.119) 2.004 0.963 ( 0.155 1.994 0.119) 2.004 1.082 ( -1.762 -2.364 7.205) 7.785 1.082 ( -1.762 2.364 7.205) 7.785 1.220 ( -0.753 -3.109 -3.043) 4.415 1.220 ( -0.753 3.109 -3.043) 4.415 1.364 ( 0.595 -3.393 1.957) 3.962 1.364 ( 0.595 3.393 1.957) 3.962 1.455 ( -0.758 -1.590 2.116) 2.753 1.455 ( -0.758 1.590 2.116) 2.753 1.477 ( 1.052 -1.906 4.245) 4.771 1.477 ( 1.052 1.906 4.245) 4.771 1.585 ( 2.100 -0.964 -2.103) 3.124 1.585 ( 2.100 0.964 -2.103) 3.124 1.726 ( 2.574 -1.567 -2.052) 3.646 1.726 ( 2.574 1.567 -2.052) 3.646 1.856 ( 3.974 -4.216 6.052) 8.378 1.856 ( 3.974 4.216 6.052) 8.378 2.036 ( 0.083 -3.934 0.406) 3.955 2.036 ( 0.083 3.934 0.406) 3.955 2.106 ( -1.225 -3.506 0.322) 3.728 2.106 ( -1.225 3.506 0.322) 3.728 2.208 ( -2.117 -1.090 -1.377) 2.750 2.208 ( -2.117 1.090 -1.377) 2.750 2.245 ( -3.182 -1.057 -2.863) 4.409 2.245 ( -3.182 1.057 -2.863) 4.409 2.315 ( -2.818 -1.129 -2.748) 4.095 2.315 ( -2.818 1.129 -2.748) 4.095 2.398 ( -1.794 -1.182 -0.406) 2.186 2.398 ( -1.794 1.182 -0.406) 2.186 2.439 ( -1.322 -1.426 -0.033) 1.945 2.439 ( -1.322 1.426 -0.033) 1.945 2.505 ( -0.247 -2.809 -0.909) 2.962 2.505 ( -0.247 2.809 -0.909) 2.962 2.575 ( -0.535 -4.791 1.587) 5.075 2.575 ( -0.535 4.791 1.587) 5.075 2.693 ( 0.299 -3.045 -1.965) 3.636 2.693 ( 0.299 3.045 -1.965) 3.636 2.749 ( 1.402 -3.714 -0.755) 4.041 2.749 ( 1.402 3.714 -0.755) 4.041 2.820 ( 1.209 -2.809 -4.282) 5.262 2.820 ( 1.209 2.809 -4.282) 5.262 2.875 ( -0.239 -3.207 -2.215) 3.905 2.875 ( -0.239 3.207 -2.215) 3.905 2.977 ( 1.490 -0.640 -3.930) 4.251 2.977 ( 1.490 0.640 -3.930) 4.251 3.141 ( 0.543 -1.511 0.205) 1.619 3.141 ( 0.543 1.511 0.205) 1.619 3.163 ( -0.194 -0.734 -0.435) 0.875 3.163 ( -0.194 0.734 -0.435) 0.875 3.422 ( -0.017 -1.325 0.516) 1.422 3.422 ( -0.017 1.325 0.516) 1.422 3.459 ( -1.191 -2.534 -1.125) 3.017 3.459 ( -1.191 2.534 -1.125) 3.017 3.635 ( 0.474 -1.816 6.363) 6.634 3.635 ( 0.474 1.816 6.363) 6.634 3.717 ( -1.056 -2.761 1.178) 3.182 3.717 ( -1.056 2.761 1.178) 3.182 3.988 ( 1.454 -3.870 -0.864) 4.223 3.988 ( 1.454 3.870 -0.864) 4.223 4.086 ( -0.741 -3.791 -1.867) 4.290 4.086 ( -0.741 3.791 -1.867) 4.290 4.322 ( 2.462 -0.896 2.772) 3.814 4.322 ( 2.462 0.896 2.772) 3.814 4.365 ( 1.285 -2.676 1.685) 3.414 4.365 ( 1.285 2.676 1.685) 3.414 4.698 ( -0.619 -1.056 -1.076) 1.629 4.698 ( -0.619 1.056 -1.076) 1.629 5.792 ( 0.594 -0.771 0.199) 0.993 5.792 ( 0.594 0.771 0.199) 0.993 6.828 ( -0.277 -0.348 -0.761) 0.881 6.828 ( -0.277 0.348 -0.761) 0.881 6.924 ( 0.872 -0.386 0.099) 0.958 6.924 ( 0.872 0.386 0.099) 0.958 7.065 ( 0.625 -0.291 1.611) 1.753 7.065 ( 0.625 0.291 1.611) 1.753 7.129 ( 0.269 -1.683 0.864) 1.911 7.129 ( 0.269 1.683 0.864) 1.911 7.317 ( -3.104 -0.574 -3.221) 4.510 7.317 ( -3.104 0.574 -3.221) 4.510 ======================= Grid point 79 (44/60) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.500 -3.002 3.405) 4.567 0.761 ( 0.500 3.002 3.405) 4.567 0.885 ( 0.374 -2.838 1.062) 3.053 0.885 ( 0.374 2.838 1.062) 3.053 0.975 ( 1.698 -3.064 1.912) 3.991 0.975 ( 1.698 3.064 1.912) 3.991 1.133 ( 1.070 -2.515 5.141) 5.823 1.133 ( 1.070 2.515 5.141) 5.823 1.205 ( 0.018 -1.042 -0.940) 1.403 1.205 ( 0.018 1.042 -0.940) 1.403 1.325 ( -6.400 -2.016 1.145) 6.807 1.325 ( -6.400 2.016 1.145) 6.807 1.398 ( 0.916 -2.187 -1.451) 2.780 1.398 ( 0.916 2.187 -1.451) 2.780 1.526 ( 0.772 -1.149 0.488) 1.467 1.526 ( 0.772 1.149 0.488) 1.467 1.659 ( 1.432 -2.161 -0.779) 2.707 1.659 ( 1.432 2.161 -0.779) 2.707 1.750 ( 1.458 -0.802 -2.061) 2.649 1.750 ( 1.458 0.802 -2.061) 2.649 1.902 ( -6.278 -3.688 -0.624) 7.308 1.902 ( -6.278 3.688 -0.624) 7.308 2.029 ( 1.055 -2.989 -0.619) 3.229 2.029 ( 1.055 2.989 -0.619) 3.229 2.101 ( -0.067 -1.201 4.237) 4.405 2.101 ( -0.067 1.201 4.237) 4.405 2.153 ( -2.300 -1.619 0.589) 2.874 2.153 ( -2.300 1.619 0.589) 2.874 2.189 ( 2.270 -2.351 0.262) 3.278 2.189 ( 2.270 2.351 0.262) 3.278 2.299 ( -0.930 -1.551 3.925) 4.322 2.299 ( -0.930 1.551 3.925) 4.322 2.368 ( -0.176 -1.071 -0.199) 1.104 2.368 ( -0.176 1.071 -0.199) 1.104 2.437 ( -0.169 -2.797 0.459) 2.839 2.437 ( -0.169 2.797 0.459) 2.839 2.500 ( 0.295 -3.303 0.014) 3.316 2.500 ( 0.295 3.303 0.014) 3.316 2.585 ( 0.114 -6.212 1.653) 6.429 2.585 ( 0.114 6.212 1.653) 6.429 2.685 ( 0.239 -3.876 -1.668) 4.226 2.685 ( 0.239 3.876 -1.668) 4.226 2.722 ( -0.826 -2.959 -3.135) 4.389 2.722 ( -0.826 2.959 -3.135) 4.389 2.829 ( 2.398 -2.287 -4.250) 5.389 2.829 ( 2.398 2.287 -4.250) 5.389 2.883 ( 1.556 -0.889 1.967) 2.661 2.883 ( 1.556 0.889 1.967) 2.661 2.968 ( 1.186 -1.221 -4.248) 4.576 2.968 ( 1.186 1.221 -4.248) 4.576 3.134 ( -0.408 -1.354 0.279) 1.441 3.134 ( -0.408 1.354 0.279) 1.441 3.188 ( 2.478 -1.710 -1.966) 3.596 3.188 ( 2.478 1.710 -1.966) 3.596 3.408 ( -1.763 -1.261 -0.267) 2.184 3.408 ( -1.763 1.261 -0.267) 2.184 3.456 ( 1.306 -0.894 1.240) 2.010 3.456 ( 1.306 0.894 1.240) 2.010 3.669 ( -2.065 -4.083 3.212) 5.591 3.669 ( -2.065 4.083 3.212) 5.591 3.711 ( -0.454 -4.579 1.791) 4.938 3.711 ( -0.454 4.579 1.791) 4.938 3.997 ( -0.103 -5.060 -1.087) 5.176 3.997 ( -0.103 5.060 -1.087) 5.176 4.064 ( 0.658 -3.966 -1.349) 4.241 4.064 ( 0.658 3.966 -1.349) 4.241 4.347 ( -1.047 -1.110 -0.407) 1.579 4.347 ( -1.047 1.110 -0.407) 1.579 4.397 ( 1.317 -0.904 -0.186) 1.609 4.397 ( 1.317 0.904 -0.186) 1.609 4.683 ( -0.237 -0.464 -0.317) 0.609 4.683 ( -0.237 0.464 -0.317) 0.609 5.808 ( 1.050 -3.115 -0.225) 3.295 5.808 ( 1.050 3.115 -0.225) 3.295 6.836 ( 1.382 -1.658 -0.299) 2.179 6.836 ( 1.382 1.658 -0.299) 2.179 6.939 ( 1.131 -0.756 -0.670) 1.516 6.939 ( 1.131 0.756 -0.670) 1.516 7.039 ( -3.172 -0.610 0.338) 3.248 7.039 ( -3.172 0.610 0.338) 3.248 7.157 ( 0.415 -1.323 -0.615) 1.517 7.157 ( 0.415 1.323 -0.615) 1.517 7.252 ( -1.727 -1.012 1.813) 2.700 7.252 ( -1.727 1.012 1.813) 2.700 ======================= Grid point 81 (45/60) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -1.296 -1.632 -0.097) 2.087 0.773 ( -1.296 1.632 -0.097) 2.087 0.900 ( 2.692 -2.646 -1.203) 3.962 0.900 ( 2.692 2.646 -1.203) 3.962 1.004 ( -1.844 -2.836 0.657) 3.445 1.004 ( -1.844 2.836 0.657) 3.445 1.158 ( -3.619 -1.861 0.306) 4.081 1.158 ( -3.619 1.861 0.306) 4.081 1.214 ( -0.597 -3.114 4.508) 5.512 1.214 ( -0.597 3.114 4.508) 5.512 1.261 ( 1.067 -4.396 2.299) 5.075 1.261 ( 1.067 4.396 2.299) 5.075 1.434 ( 2.246 -0.866 -2.120) 3.207 1.434 ( 2.246 0.866 -2.120) 3.207 1.519 ( -0.712 -1.887 -2.636) 3.319 1.519 ( -0.712 1.887 -2.636) 3.319 1.627 ( 0.309 -0.488 -2.134) 2.211 1.627 ( 0.309 0.488 -2.134) 2.211 1.730 ( -0.986 -0.691 -1.772) 2.142 1.730 ( -0.986 0.691 -1.772) 2.142 1.789 ( -2.645 -1.225 -1.966) 3.516 1.789 ( -2.645 1.225 -1.966) 3.516 1.986 ( -6.671 -0.905 -3.041) 7.387 1.986 ( -6.671 0.905 -3.041) 7.387 2.051 ( -1.597 -3.538 0.869) 3.978 2.051 ( -1.597 3.538 0.869) 3.978 2.186 ( 1.416 -0.690 5.721) 5.934 2.186 ( 1.416 0.690 5.721) 5.934 2.264 ( 0.067 -1.020 1.862) 2.124 2.264 ( 0.067 1.020 1.862) 2.124 2.343 ( 1.069 -2.868 2.583) 4.005 2.343 ( 1.069 2.868 2.583) 4.005 2.429 ( 2.635 -0.627 1.264) 2.989 2.429 ( 2.635 0.627 1.264) 2.989 2.441 ( 1.893 -3.291 4.087) 5.579 2.441 ( 1.893 3.291 4.087) 5.579 2.536 ( 2.321 -2.813 1.782) 4.059 2.536 ( 2.321 2.813 1.782) 4.059 2.612 ( 1.019 -3.655 2.747) 4.684 2.612 ( 1.019 3.655 2.747) 4.684 2.664 ( -0.650 -1.048 -1.793) 2.176 2.664 ( -0.650 1.048 -1.793) 2.176 2.695 ( 0.724 -2.414 -1.436) 2.901 2.695 ( 0.724 2.414 -1.436) 2.901 2.835 ( 1.211 -0.687 -2.596) 2.946 2.835 ( 1.211 0.687 -2.596) 2.946 2.910 ( 1.447 -0.312 -4.167) 4.422 2.910 ( 1.447 0.312 -4.167) 4.422 2.960 ( -0.138 -2.299 0.815) 2.443 2.960 ( -0.138 2.299 0.815) 2.443 3.126 ( -0.657 -2.541 0.487) 2.669 3.126 ( -0.657 2.541 0.487) 2.669 3.209 ( 2.254 -2.081 -3.121) 4.376 3.209 ( 2.254 2.081 -3.121) 4.376 3.392 ( 0.198 -1.552 1.151) 1.942 3.392 ( 0.198 1.552 1.151) 1.942 3.494 ( 0.672 -1.625 1.526) 2.328 3.494 ( 0.672 1.625 1.526) 2.328 3.659 ( -0.834 -4.317 1.683) 4.708 3.659 ( -0.834 4.317 1.683) 4.708 3.706 ( -1.231 -3.252 0.600) 3.529 3.706 ( -1.231 3.252 0.600) 3.529 3.960 ( -0.657 -5.327 -3.774) 6.561 3.960 ( -0.657 5.327 -3.774) 6.561 4.093 ( 1.217 -2.930 2.363) 3.956 4.093 ( 1.217 2.930 2.363) 3.956 4.299 ( -2.141 -1.129 -3.174) 3.991 4.299 ( -2.141 1.129 -3.174) 3.991 4.387 ( -1.203 -0.343 -2.328) 2.642 4.387 ( -1.203 0.343 -2.328) 2.642 4.686 ( 0.402 -0.119 0.855) 0.952 4.686 ( 0.402 0.119 0.855) 0.952 5.822 ( 0.553 -3.561 -0.139) 3.607 5.822 ( 0.553 3.561 -0.139) 3.607 6.852 ( 0.275 -1.117 -0.644) 1.318 6.852 ( 0.275 1.117 -0.644) 1.318 6.963 ( 2.074 -2.706 -0.679) 3.476 6.963 ( 2.074 2.706 -0.679) 3.476 6.994 ( -0.797 -0.222 -0.374) 0.908 6.994 ( -0.797 0.222 -0.374) 0.908 7.114 ( -3.001 -0.840 -1.187) 3.335 7.114 ( -3.001 0.840 -1.187) 3.335 7.283 ( 0.569 -0.984 4.407) 4.551 7.283 ( 0.569 0.984 4.407) 4.551 ======================= Grid point 83 (46/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.726 -1.191 1.692) 2.695 0.746 ( -1.726 1.191 1.692) 2.695 0.895 ( -3.728 -0.640 -2.857) 4.741 0.895 ( -3.728 0.640 -2.857) 4.741 0.966 ( -0.009 -4.903 -0.393) 4.919 0.966 ( -0.009 4.903 -0.393) 4.919 1.095 ( -4.386 -0.155 0.151) 4.392 1.095 ( -4.386 0.155 0.151) 4.392 1.186 ( -1.681 -4.862 2.160) 5.580 1.186 ( -1.681 4.862 2.160) 5.580 1.338 ( 1.417 -3.386 3.230) 4.889 1.338 ( 1.417 3.386 3.230) 4.889 1.419 ( 0.694 -0.471 -3.132) 3.243 1.419 ( 0.694 0.471 -3.132) 3.243 1.510 ( 1.440 -1.612 -1.765) 2.791 1.510 ( 1.440 1.612 -1.765) 2.791 1.641 ( 1.136 -2.603 -1.071) 3.036 1.641 ( 1.136 2.603 -1.071) 3.036 1.711 ( 0.018 -1.300 1.997) 2.383 1.711 ( 0.018 1.300 1.997) 2.383 1.785 ( -3.442 -1.152 -1.115) 3.798 1.785 ( -3.442 1.152 -1.115) 3.798 1.846 ( 0.435 -0.626 0.907) 1.185 1.846 ( 0.435 0.626 0.907) 1.185 2.024 ( -1.504 -3.052 -2.548) 4.251 2.024 ( -1.504 3.052 -2.548) 4.251 2.249 ( 0.591 -1.269 3.156) 3.453 2.249 ( 0.591 1.269 3.156) 3.453 2.264 ( -0.567 -0.585 1.152) 1.412 2.264 ( -0.567 0.585 1.152) 1.412 2.365 ( 0.880 -2.350 0.416) 2.543 2.365 ( 0.880 2.350 0.416) 2.543 2.457 ( -0.201 -1.855 2.907) 3.454 2.457 ( -0.201 1.855 2.907) 3.454 2.533 ( 2.038 -1.009 2.782) 3.594 2.533 ( 2.038 1.009 2.782) 3.594 2.559 ( -0.205 -1.874 -0.530) 1.959 2.559 ( -0.205 1.874 -0.530) 1.959 2.641 ( -0.559 -2.461 -0.823) 2.654 2.641 ( -0.559 2.461 -0.823) 2.654 2.678 ( 3.015 -0.432 0.080) 3.047 2.678 ( 3.015 0.432 0.080) 3.047 2.727 ( 1.251 -1.913 4.201) 4.782 2.727 ( 1.251 1.913 4.201) 4.782 2.819 ( -0.478 -1.686 -2.221) 2.829 2.819 ( -0.478 1.686 -2.221) 2.829 2.884 ( 0.880 -2.205 -4.480) 5.071 2.884 ( 0.880 2.205 -4.480) 5.071 2.960 ( 0.490 -0.800 -1.942) 2.157 2.960 ( 0.490 0.800 -1.942) 2.157 3.134 ( 0.168 -3.023 2.027) 3.643 3.134 ( 0.168 3.023 2.027) 3.643 3.221 ( 1.879 -2.793 -2.780) 4.365 3.221 ( 1.879 2.793 -2.780) 4.365 3.429 ( 1.268 -1.224 2.545) 3.095 3.429 ( 1.268 1.224 2.545) 3.095 3.502 ( -0.691 -2.526 0.909) 2.772 3.502 ( -0.691 2.526 0.909) 2.772 3.627 ( -2.916 -1.517 -0.611) 3.344 3.627 ( -2.916 1.517 -0.611) 3.344 3.718 ( 1.441 -3.439 0.806) 3.815 3.718 ( 1.441 3.439 0.806) 3.815 3.933 ( 0.765 -3.453 -1.991) 4.059 3.933 ( 0.765 3.453 -1.991) 4.059 4.128 ( -0.003 -1.058 1.722) 2.021 4.128 ( -0.003 1.058 1.722) 2.021 4.227 ( -1.964 -1.310 -2.419) 3.380 4.227 ( -1.964 1.310 -2.419) 3.380 4.325 ( -2.281 -0.506 -3.416) 4.138 4.325 ( -2.281 0.506 -3.416) 4.138 4.707 ( 0.614 -0.340 1.225) 1.412 4.707 ( 0.614 0.340 1.225) 1.412 5.824 ( -0.444 -2.145 0.121) 2.194 5.824 ( -0.444 2.145 0.121) 2.194 6.843 ( 0.318 -1.016 -1.291) 1.674 6.843 ( 0.318 1.016 -1.291) 1.674 6.972 ( 0.020 -0.712 0.196) 0.739 6.972 ( 0.020 0.712 0.196) 0.739 7.021 ( 0.124 -3.420 -0.239) 3.431 7.021 ( 0.124 3.420 -0.239) 3.431 7.052 ( -0.268 -3.507 -0.942) 3.641 7.052 ( -0.268 3.507 -0.942) 3.641 7.331 ( 0.793 -0.203 3.508) 3.603 7.331 ( 0.793 0.203 3.508) 3.603 ======================= Grid point 85 (47/60) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -4.412 -3.459 3.948) 6.857 0.719 ( -4.412 3.459 3.948) 6.857 0.804 ( -3.466 -2.671 2.018) 4.819 0.804 ( -3.466 2.671 2.018) 4.819 0.965 ( 0.382 -4.567 1.022) 4.696 0.965 ( 0.382 4.567 1.022) 4.696 1.031 ( -2.951 -1.682 2.213) 4.054 1.031 ( -2.951 1.682 2.213) 4.054 1.202 ( -0.894 -3.595 3.842) 5.337 1.202 ( -0.894 3.595 3.842) 5.337 1.349 ( 1.487 -1.520 -3.311) 3.935 1.349 ( 1.487 1.520 -3.311) 3.935 1.434 ( -0.338 -0.904 0.588) 1.130 1.434 ( -0.338 0.904 0.588) 1.130 1.511 ( -1.669 -1.414 1.238) 2.514 1.511 ( -1.669 1.414 1.238) 2.514 1.630 ( -1.006 -2.064 -0.908) 2.469 1.630 ( -1.006 2.064 -0.908) 2.469 1.674 ( -0.368 -3.881 -3.288) 5.100 1.674 ( -0.368 3.881 -3.288) 5.100 1.783 ( 3.049 -1.442 2.562) 4.235 1.783 ( 3.049 1.442 2.562) 4.235 1.930 ( 0.313 -1.796 -1.692) 2.487 1.930 ( 0.313 1.796 -1.692) 2.487 1.985 ( 3.641 -1.294 1.003) 3.992 1.985 ( 3.641 1.294 1.003) 3.992 2.256 ( -0.312 -0.147 0.494) 0.603 2.256 ( -0.312 0.147 0.494) 0.603 2.286 ( 0.376 -2.546 0.674) 2.660 2.286 ( 0.376 2.546 0.674) 2.660 2.390 ( 1.644 -1.395 0.141) 2.161 2.390 ( 1.644 1.395 0.141) 2.161 2.453 ( -2.160 -3.792 1.455) 4.601 2.453 ( -2.160 3.792 1.455) 4.601 2.532 ( -2.013 -4.655 -0.579) 5.104 2.532 ( -2.013 4.655 -0.579) 5.104 2.575 ( -0.874 -2.582 0.659) 2.805 2.575 ( -0.874 2.582 0.659) 2.805 2.615 ( 1.358 -2.916 1.097) 3.398 2.615 ( 1.358 2.916 1.097) 3.398 2.720 ( -0.833 -0.531 -3.068) 3.224 2.720 ( -0.833 0.531 -3.068) 3.224 2.762 ( -0.899 -1.943 0.659) 2.240 2.762 ( -0.899 1.943 0.659) 2.240 2.798 ( 2.375 -1.357 -1.593) 3.166 2.798 ( 2.375 1.357 -1.593) 3.166 2.883 ( 1.726 -2.524 -2.022) 3.666 2.883 ( 1.726 2.524 -2.022) 3.666 2.959 ( 1.705 -1.091 -1.464) 2.498 2.959 ( 1.705 1.091 -1.464) 2.498 3.144 ( -0.819 -2.618 0.609) 2.810 3.144 ( -0.819 2.618 0.609) 2.810 3.226 ( 1.337 -3.667 -3.201) 5.048 3.226 ( 1.337 3.667 -3.201) 5.048 3.447 ( -1.525 -3.118 0.880) 3.581 3.447 ( -1.525 3.118 0.880) 3.581 3.497 ( -0.461 -0.804 1.015) 1.374 3.497 ( -0.461 0.804 1.015) 1.374 3.583 ( -1.873 -1.591 1.490) 2.874 3.583 ( -1.873 1.591 1.490) 2.874 3.731 ( -0.162 -2.228 -1.037) 2.463 3.731 ( -0.162 2.228 -1.037) 2.463 3.941 ( 1.391 -2.161 -1.578) 3.016 3.941 ( 1.391 2.161 -1.578) 3.016 4.120 ( -0.491 -0.959 1.038) 1.496 4.120 ( -0.491 0.959 1.038) 1.496 4.225 ( 0.051 -1.276 2.445) 2.758 4.225 ( 0.051 1.276 2.445) 2.758 4.265 ( -0.459 -0.989 -1.486) 1.843 4.265 ( -0.459 0.989 -1.486) 1.843 4.723 ( 0.205 -0.699 0.357) 0.811 4.723 ( 0.205 0.699 0.357) 0.811 5.808 ( -1.280 -0.180 0.297) 1.327 5.808 ( -1.280 0.180 0.297) 1.327 6.851 ( 1.318 -1.386 -0.720) 2.044 6.851 ( 1.318 1.386 -0.720) 2.044 6.954 ( -3.406 -2.484 -0.765) 4.285 6.954 ( -3.406 2.484 -0.765) 4.285 6.985 ( 0.769 -0.534 0.140) 0.946 6.985 ( 0.769 0.534 0.140) 0.946 7.097 ( 2.404 -5.162 0.270) 5.701 7.097 ( 2.404 5.162 0.270) 5.701 7.372 ( 1.389 -1.631 0.949) 2.343 7.372 ( 1.389 1.631 0.949) 2.343 ======================= Grid point 87 (48/60) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -2.488 -1.314 5.700) 6.357 0.692 ( -2.488 1.314 5.700) 6.357 0.813 ( -0.335 -3.924 5.746) 6.966 0.813 ( -0.335 3.924 5.746) 6.966 0.964 ( -1.347 -2.330 1.190) 2.942 0.964 ( -1.347 2.330 1.190) 2.942 1.057 ( -1.315 -2.983 8.108) 8.739 1.057 ( -1.315 2.983 8.108) 8.739 1.231 ( 1.707 -4.557 4.805) 6.839 1.231 ( 1.707 4.557 4.805) 6.839 1.323 ( -2.369 -5.217 -3.772) 6.860 1.323 ( -2.369 5.217 -3.772) 6.860 1.392 ( -0.123 -0.729 0.799) 1.089 1.392 ( -0.123 0.729 0.799) 1.089 1.507 ( -1.141 -0.987 1.411) 2.066 1.507 ( -1.141 0.987 1.411) 2.066 1.624 ( -0.268 -2.176 -3.545) 4.168 1.624 ( -0.268 2.176 -3.545) 4.168 1.675 ( 2.678 -1.204 0.056) 2.936 1.675 ( 2.678 1.204 0.056) 2.936 1.799 ( 0.846 -1.022 -2.854) 3.147 1.799 ( 0.846 1.022 -2.854) 3.147 1.977 ( 4.176 -3.181 2.771) 5.936 1.977 ( 4.176 3.181 2.771) 5.936 2.077 ( 2.818 -3.254 1.786) 4.660 2.077 ( 2.818 3.254 1.786) 4.660 2.255 ( -0.209 -1.121 -0.690) 1.333 2.255 ( -0.209 1.121 -0.690) 1.333 2.267 ( -1.798 -1.342 -0.174) 2.250 2.267 ( -1.798 1.342 -0.174) 2.250 2.400 ( -1.362 -1.875 -2.149) 3.160 2.400 ( -1.362 1.875 -2.149) 3.160 2.435 ( 0.041 -3.279 0.966) 3.419 2.435 ( 0.041 3.279 0.966) 3.419 2.469 ( -3.520 -3.291 0.374) 4.833 2.469 ( -3.520 3.291 0.374) 4.833 2.567 ( -1.366 -4.664 -0.438) 4.880 2.567 ( -1.366 4.664 -0.438) 4.880 2.606 ( -5.116 -1.553 -4.577) 7.038 2.606 ( -5.116 1.553 -4.577) 7.038 2.685 ( 3.790 -5.075 0.955) 6.406 2.685 ( 3.790 5.075 0.955) 6.406 2.715 ( -0.537 -2.751 -2.584) 3.812 2.715 ( -0.537 2.751 -2.584) 3.812 2.848 ( 1.687 -3.171 -2.626) 4.450 2.848 ( 1.687 3.171 -2.626) 4.450 2.883 ( 1.035 -3.412 -2.416) 4.307 2.883 ( 1.035 3.412 -2.416) 4.307 2.983 ( 1.059 -1.287 -1.122) 2.009 2.983 ( 1.059 1.287 -1.122) 2.009 3.130 ( -0.356 -1.711 0.086) 1.749 3.130 ( -0.356 1.711 0.086) 1.749 3.199 ( -1.024 -2.434 -3.137) 4.101 3.199 ( -1.024 2.434 -3.137) 4.101 3.425 ( -0.687 -2.057 0.146) 2.174 3.425 ( -0.687 2.057 0.146) 2.174 3.484 ( -1.066 -1.843 -0.113) 2.132 3.484 ( -1.066 1.843 -0.113) 2.132 3.585 ( -1.005 -0.917 4.917) 5.101 3.585 ( -1.005 0.917 4.917) 5.101 3.719 ( -0.321 -0.834 0.407) 0.982 3.719 ( -0.321 0.834 0.407) 0.982 3.962 ( 2.429 -2.311 -1.750) 3.782 3.962 ( 2.429 2.311 -1.750) 3.782 4.116 ( -1.329 -2.351 -0.122) 2.703 4.116 ( -1.329 2.351 -0.122) 2.703 4.248 ( 1.967 -1.197 2.698) 3.547 4.248 ( 1.967 1.197 2.698) 3.547 4.309 ( 2.004 -2.306 3.503) 4.648 4.309 ( 2.004 2.306 3.503) 4.648 4.718 ( -0.464 -1.044 -0.838) 1.417 4.718 ( -0.464 1.044 -0.838) 1.417 5.790 ( -0.812 -0.883 0.455) 1.283 5.790 ( -0.812 0.883 0.455) 1.283 6.855 ( -1.084 -1.461 -0.743) 1.965 6.855 ( -1.084 1.461 -0.743) 1.965 6.910 ( -0.056 -1.567 -0.022) 1.568 6.910 ( -0.056 1.567 -0.022) 1.568 7.017 ( 2.286 -0.401 0.636) 2.407 7.017 ( 2.286 0.401 0.636) 2.407 7.126 ( 0.162 -3.395 0.884) 3.512 7.126 ( 0.162 3.395 0.884) 3.512 7.380 ( -0.255 -1.664 -2.640) 3.131 7.380 ( -0.255 1.664 -2.640) 3.131 ======================= Grid point 95 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.316 0.000 -0.124) 2.320 0.801 ( 2.316 0.000 0.124) 2.320 0.944 ( -2.077 0.000 -1.203) 2.400 0.944 ( 2.077 0.000 1.203) 2.400 1.060 ( -1.758 0.000 -2.336) 2.923 1.060 ( 1.758 0.000 2.336) 2.923 1.109 ( -1.486 0.000 0.047) 1.487 1.109 ( 1.486 0.000 -0.047) 1.487 1.209 ( -3.764 0.000 -2.732) 4.652 1.209 ( 3.764 0.000 2.732) 4.652 1.430 ( 0.679 0.000 -1.834) 1.956 1.430 ( -0.679 0.000 1.834) 1.956 1.501 ( 0.824 0.000 -1.680) 1.871 1.501 ( -0.824 0.000 1.680) 1.871 1.547 ( 3.850 0.000 -2.985) 4.872 1.547 ( -3.850 0.000 2.985) 4.872 1.596 ( 1.354 0.000 -4.310) 4.518 1.596 ( -1.354 0.000 4.310) 4.518 1.731 ( -0.947 0.000 -4.718) 4.812 1.731 ( 0.947 0.000 4.718) 4.812 1.766 ( 1.015 0.000 -2.733) 2.916 1.766 ( -1.015 0.000 2.733) 2.916 2.052 ( -2.606 0.000 -4.367) 5.086 2.052 ( 2.606 0.000 4.367) 5.086 2.108 ( 1.835 0.000 -1.954) 2.680 2.108 ( -1.835 0.000 1.954) 2.680 2.183 ( -4.084 0.000 -1.925) 4.515 2.183 ( 4.084 0.000 1.925) 4.515 2.212 ( -0.219 0.000 -1.816) 1.829 2.212 ( 0.219 0.000 1.816) 1.829 2.311 ( -1.468 0.000 -4.105) 4.360 2.311 ( 1.468 0.000 4.105) 4.360 2.347 ( -0.925 0.000 -1.587) 1.837 2.347 ( 0.925 0.000 1.587) 1.837 2.470 ( -0.741 0.000 -1.305) 1.501 2.470 ( 0.741 0.000 1.305) 1.501 2.485 ( -5.628 0.000 1.500) 5.825 2.485 ( 5.628 0.000 -1.500) 5.825 2.571 ( -3.182 0.000 -1.122) 3.374 2.571 ( 3.182 0.000 1.122) 3.374 2.652 ( 0.650 0.000 -3.471) 3.531 2.652 ( -0.650 0.000 3.471) 3.531 2.724 ( -0.476 0.000 -1.606) 1.675 2.724 ( 0.476 0.000 1.606) 1.675 2.798 ( 1.120 0.000 -0.725) 1.334 2.798 ( -1.120 0.000 0.725) 1.334 2.835 ( 1.385 0.000 -1.493) 2.036 2.835 ( -1.385 0.000 1.493) 2.036 3.013 ( -0.583 0.000 0.006) 0.584 3.013 ( 0.583 0.000 -0.006) 0.584 3.109 ( -0.221 0.000 -1.389) 1.406 3.109 ( 0.221 0.000 1.389) 1.406 3.243 ( -0.813 0.000 -0.598) 1.009 3.243 ( 0.813 0.000 0.598) 1.009 3.392 ( 1.040 0.000 -0.691) 1.248 3.392 ( -1.040 0.000 0.691) 1.248 3.497 ( -0.965 0.000 -2.408) 2.594 3.497 ( 0.965 0.000 2.408) 2.594 3.545 ( -1.900 0.000 -0.058) 1.900 3.545 ( 1.900 0.000 0.058) 1.900 3.783 ( -1.244 0.000 -2.553) 2.840 3.783 ( 1.244 0.000 2.553) 2.840 3.886 ( 0.453 0.000 -3.066) 3.099 3.886 ( -0.453 0.000 3.066) 3.099 4.116 ( 0.485 0.000 -0.757) 0.899 4.116 ( -0.485 0.000 0.757) 0.899 4.364 ( -1.869 0.000 -1.965) 2.712 4.364 ( 1.869 0.000 1.965) 2.712 4.403 ( -0.860 0.000 -4.755) 4.833 4.403 ( 0.860 0.000 4.755) 4.833 4.700 ( -0.230 0.000 -1.304) 1.324 4.700 ( 0.230 0.000 1.304) 1.324 5.794 ( -3.600 0.000 1.121) 3.770 5.794 ( 3.600 0.000 -1.121) 3.770 6.859 ( -3.274 0.000 -0.182) 3.279 6.859 ( 3.274 0.000 0.182) 3.279 6.888 ( -0.651 0.000 -1.127) 1.302 6.888 ( 0.651 0.000 1.127) 1.302 7.077 ( -0.221 0.000 -0.222) 0.313 7.077 ( 0.221 0.000 0.222) 0.313 7.169 ( -2.731 0.000 -3.391) 4.354 7.169 ( 2.731 0.000 3.391) 4.354 7.239 ( -1.443 0.000 -1.145) 1.842 7.239 ( 1.443 0.000 1.145) 1.842 ======================= Grid point 97 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 3.918 0.000 -6.292) 7.412 0.852 ( -3.739 0.000 -0.200) 3.745 0.878 ( 7.249 0.000 -6.614) 9.812 0.924 ( -1.381 0.000 -1.434) 1.991 1.030 ( -2.762 0.000 2.226) 3.548 1.058 ( -2.751 0.000 0.409) 2.782 1.094 ( 0.830 0.000 -0.553) 0.998 1.148 ( -2.141 0.000 4.179) 4.696 1.242 ( 7.209 0.000 0.820) 7.255 1.315 ( 5.234 0.000 -0.058) 5.234 1.361 ( -8.684 0.000 -4.038) 9.577 1.417 ( -1.936 0.000 -2.348) 3.043 1.455 ( -4.133 0.000 0.365) 4.149 1.455 ( 0.981 0.000 -0.144) 0.991 1.513 ( 2.974 0.000 -9.187) 9.657 1.537 ( -1.641 0.000 1.448) 2.188 1.572 ( -4.058 0.000 4.640) 6.164 1.584 ( 1.518 0.000 -3.328) 3.658 1.681 ( -2.152 0.000 -1.606) 2.685 1.748 ( -0.175 0.000 -0.872) 0.889 1.765 ( 2.605 0.000 -3.320) 4.220 1.812 ( 2.148 0.000 4.194) 4.712 1.945 ( -6.416 0.000 -3.837) 7.476 1.977 ( -5.095 0.000 -3.755) 6.329 2.113 ( -4.741 0.000 -2.517) 5.368 2.140 ( 2.234 0.000 2.920) 3.676 2.182 ( 0.307 0.000 2.956) 2.971 2.187 ( 4.122 0.000 2.066) 4.611 2.248 ( -1.541 0.000 -0.545) 1.635 2.255 ( -5.836 0.000 0.117) 5.837 2.315 ( 4.864 0.000 4.125) 6.378 2.343 ( 0.439 0.000 5.076) 5.095 2.362 ( 2.837 0.000 1.664) 3.289 2.411 ( 0.933 0.000 2.005) 2.212 2.430 ( -1.814 0.000 -1.549) 2.385 2.456 ( 0.196 0.000 3.029) 3.036 2.519 ( -0.370 0.000 4.061) 4.078 2.547 ( 5.142 0.000 4.037) 6.537 2.558 ( 3.396 0.000 0.340) 3.413 2.627 ( 0.663 0.000 -4.658) 4.704 2.637 ( 2.576 0.000 0.654) 2.657 2.689 ( 1.317 0.000 2.125) 2.500 2.719 ( 0.264 0.000 0.579) 0.636 2.764 ( 2.445 0.000 2.249) 3.322 2.787 ( -0.820 0.000 1.055) 1.336 2.818 ( 1.270 0.000 0.596) 1.403 2.836 ( -0.926 0.000 0.872) 1.272 2.880 ( 3.496 0.000 -1.156) 3.682 2.987 ( -1.450 0.000 -1.760) 2.280 3.008 ( -0.050 0.000 -2.060) 2.061 3.087 ( -0.176 0.000 -2.197) 2.204 3.113 ( -0.278 0.000 0.107) 0.298 3.195 ( -3.212 0.000 -1.800) 3.682 3.241 ( -0.759 0.000 -1.036) 1.284 3.385 ( -0.273 0.000 -1.778) 1.799 3.394 ( 0.379 0.000 2.329) 2.360 3.481 ( -3.267 0.000 0.684) 3.338 3.508 ( 3.557 0.000 -0.411) 3.581 3.565 ( 1.888 0.000 1.878) 2.663 3.579 ( 1.029 0.000 0.936) 1.391 3.723 ( -2.251 0.000 -2.370) 3.269 3.794 ( -1.255 0.000 0.355) 1.304 3.907 ( 2.971 0.000 0.105) 2.973 3.929 ( 1.157 0.000 4.520) 4.666 4.098 ( -1.201 0.000 -1.367) 1.820 4.108 ( 0.335 0.000 -2.265) 2.290 4.285 ( -3.153 0.000 -4.331) 5.357 4.329 ( -2.624 0.000 -3.714) 4.547 4.377 ( -0.654 0.000 -2.025) 2.128 4.416 ( -2.795 0.000 1.305) 3.085 4.701 ( 0.851 0.000 0.539) 1.007 4.720 ( 0.227 0.000 1.881) 1.895 5.762 ( -0.186 0.000 0.547) 0.578 5.849 ( 3.551 0.000 -2.556) 4.375 6.818 ( -0.977 0.000 0.230) 1.004 6.865 ( -0.579 0.000 -1.206) 1.338 6.887 ( -1.514 0.000 0.898) 1.760 6.940 ( 3.987 0.000 -0.006) 3.987 7.022 ( -2.388 0.000 -0.290) 2.406 7.041 ( -2.565 0.000 -0.597) 2.634 7.108 ( -2.152 0.000 -3.460) 4.075 7.225 ( -1.124 0.000 3.625) 3.795 7.245 ( 1.735 0.000 1.237) 2.131 7.317 ( 3.554 0.000 3.790) 5.195 ======================= Grid point 98 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -1.339 0.000 -1.707) 2.170 0.809 ( 2.890 0.000 -7.627) 8.156 0.928 ( 4.812 0.000 -3.708) 6.075 0.939 ( 4.430 0.000 -9.725) 10.686 0.974 ( -3.854 0.000 7.760) 8.665 1.091 ( 0.084 0.000 -1.278) 1.280 1.119 ( 4.058 0.000 0.358) 4.073 1.128 ( -0.619 0.000 4.305) 4.349 1.192 ( -4.628 0.000 1.011) 4.737 1.323 ( -2.019 0.000 -2.601) 3.292 1.364 ( -0.148 0.000 -4.487) 4.490 1.392 ( 3.041 0.000 2.963) 4.245 1.424 ( -1.238 0.000 -1.828) 2.207 1.425 ( -0.038 0.000 -2.015) 2.016 1.468 ( -5.656 0.000 1.604) 5.879 1.513 ( 3.800 0.000 -4.072) 5.570 1.569 ( -1.265 0.000 2.894) 3.159 1.613 ( 2.466 0.000 -1.099) 2.699 1.695 ( 3.311 0.000 2.322) 4.044 1.709 ( -4.915 0.000 -2.086) 5.339 1.728 ( -2.220 0.000 1.288) 2.567 1.831 ( -1.717 0.000 -2.756) 3.247 1.851 ( -1.191 0.000 -0.550) 1.312 1.939 ( 0.902 0.000 3.683) 3.792 1.963 ( -7.210 0.000 -3.598) 8.058 2.097 ( -5.497 0.000 -1.384) 5.668 2.190 ( 0.081 0.000 0.410) 0.418 2.208 ( -0.335 0.000 2.354) 2.378 2.246 ( 2.019 0.000 -0.459) 2.070 2.274 ( 2.152 0.000 2.798) 3.530 2.356 ( -2.923 0.000 -0.636) 2.991 2.363 ( -1.429 0.000 -2.937) 3.266 2.406 ( 3.122 0.000 1.738) 3.573 2.457 ( 2.036 0.000 6.122) 6.452 2.472 ( 4.073 0.000 -0.174) 4.077 2.510 ( 1.943 0.000 2.288) 3.002 2.561 ( 0.743 0.000 3.261) 3.345 2.595 ( 0.285 0.000 -2.681) 2.696 2.638 ( 0.304 0.000 -0.232) 0.383 2.654 ( 2.778 0.000 6.500) 7.069 2.693 ( 2.524 0.000 1.478) 2.925 2.723 ( -0.945 0.000 0.308) 0.994 2.726 ( 1.943 0.000 0.318) 1.969 2.774 ( -0.629 0.000 -0.231) 0.670 2.807 ( -1.794 0.000 0.694) 1.923 2.841 ( 0.249 0.000 -0.638) 0.684 2.871 ( 3.515 0.000 4.721) 5.886 2.912 ( 0.648 0.000 0.156) 0.667 2.940 ( -0.411 0.000 -2.627) 2.659 2.987 ( 0.599 0.000 -2.595) 2.663 3.056 ( -1.503 0.000 -1.431) 2.075 3.108 ( 0.241 0.000 -3.256) 3.265 3.130 ( -1.969 0.000 1.895) 2.733 3.208 ( -0.915 0.000 -2.663) 2.816 3.379 ( 1.464 0.000 -1.845) 2.355 3.422 ( -0.752 0.000 0.212) 0.782 3.461 ( 0.667 0.000 4.730) 4.777 3.563 ( 1.711 0.000 -1.153) 2.064 3.596 ( -0.369 0.000 1.555) 1.598 3.605 ( 1.018 0.000 0.122) 1.026 3.685 ( -0.669 0.000 1.912) 2.025 3.769 ( -0.194 0.000 -2.082) 2.091 3.965 ( 2.010 0.000 0.986) 2.239 4.001 ( 2.161 0.000 4.559) 5.045 4.052 ( -1.613 0.000 -2.768) 3.204 4.098 ( 0.787 0.000 -2.171) 2.310 4.209 ( -1.233 0.000 -1.081) 1.640 4.250 ( -2.758 0.000 -1.991) 3.401 4.310 ( -2.504 0.000 -5.551) 6.090 4.339 ( -4.236 0.000 -2.154) 4.753 4.730 ( 1.108 0.000 0.915) 1.437 4.739 ( 0.047 0.000 1.581) 1.582 5.793 ( 1.954 0.000 1.650) 2.557 5.868 ( 1.203 0.000 -3.059) 3.288 6.821 ( 0.457 0.000 -0.164) 0.486 6.849 ( -2.722 0.000 1.093) 2.933 6.858 ( 1.126 0.000 0.043) 1.126 6.964 ( -0.365 0.000 -0.643) 0.740 6.996 ( -1.625 0.000 -0.250) 1.645 7.019 ( -3.089 0.000 -1.743) 3.547 7.064 ( 4.769 0.000 -1.653) 5.047 7.207 ( -3.599 0.000 2.679) 4.486 7.302 ( 2.868 0.000 1.293) 3.146 7.381 ( -0.514 0.000 3.210) 3.251 ======================= Grid point 99 (52/60) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.523 0.000 -1.327) 1.426 0.778 ( 0.523 0.000 1.327) 1.426 0.926 ( 1.929 0.000 -3.484) 3.982 0.926 ( -1.929 0.000 3.484) 3.982 1.078 ( 2.215 0.000 -1.272) 2.554 1.078 ( -2.215 0.000 1.272) 2.554 1.112 ( -3.501 0.000 -2.574) 4.345 1.112 ( 3.501 0.000 2.574) 4.345 1.288 ( -3.723 0.000 -5.644) 6.761 1.288 ( 3.723 0.000 5.644) 6.761 1.341 ( -6.042 0.000 1.177) 6.156 1.341 ( 6.042 0.000 -1.177) 6.156 1.365 ( 1.028 0.000 -3.048) 3.216 1.365 ( -1.028 0.000 3.048) 3.216 1.531 ( -0.905 0.000 -2.572) 2.727 1.531 ( 0.905 0.000 2.572) 2.727 1.585 ( -2.573 0.000 -1.153) 2.820 1.585 ( 2.573 0.000 1.153) 2.820 1.687 ( -1.138 0.000 -1.178) 1.638 1.687 ( 1.138 0.000 1.178) 1.638 1.799 ( -3.361 0.000 -2.869) 4.419 1.799 ( 3.361 0.000 2.869) 4.419 1.823 ( -4.587 0.000 -0.125) 4.589 1.823 ( 4.587 0.000 0.125) 4.589 2.005 ( -3.175 0.000 -1.894) 3.697 2.005 ( 3.175 0.000 1.894) 3.697 2.206 ( -1.014 0.000 0.277) 1.051 2.206 ( 1.014 0.000 -0.277) 1.051 2.294 ( -2.656 0.000 -0.671) 2.739 2.294 ( 2.656 0.000 0.671) 2.739 2.322 ( -0.234 0.000 -3.067) 3.076 2.322 ( 0.234 0.000 3.067) 3.076 2.488 ( -2.916 0.000 -3.644) 4.667 2.488 ( 2.916 0.000 3.644) 4.667 2.506 ( 2.196 0.000 -4.577) 5.077 2.506 ( -2.196 0.000 4.577) 5.077 2.583 ( 0.529 0.000 -2.309) 2.369 2.583 ( -0.529 0.000 2.309) 2.369 2.669 ( -2.097 0.000 -3.232) 3.853 2.669 ( 2.097 0.000 3.232) 3.853 2.729 ( -0.413 0.000 -3.132) 3.159 2.729 ( 0.413 0.000 3.132) 3.159 2.765 ( -1.265 0.000 -2.217) 2.552 2.765 ( 1.265 0.000 2.217) 2.552 2.808 ( -1.362 0.000 -1.638) 2.130 2.808 ( 1.362 0.000 1.638) 2.130 2.909 ( 0.961 0.000 -0.735) 1.210 2.909 ( -0.961 0.000 0.735) 1.210 2.966 ( -1.085 0.000 -2.867) 3.066 2.966 ( 1.085 0.000 2.867) 3.066 3.057 ( -0.548 0.000 -4.649) 4.681 3.057 ( 0.548 0.000 4.649) 4.681 3.161 ( -0.954 0.000 -3.699) 3.820 3.161 ( 0.954 0.000 3.699) 3.820 3.400 ( 1.909 0.000 -1.063) 2.185 3.400 ( -1.909 0.000 1.063) 2.185 3.533 ( -1.870 0.000 -3.675) 4.123 3.533 ( 1.870 0.000 3.675) 4.123 3.604 ( 0.457 0.000 -2.072) 2.122 3.604 ( -0.457 0.000 2.072) 2.122 3.732 ( -0.509 0.000 -5.792) 5.814 3.732 ( 0.509 0.000 5.792) 5.814 4.000 ( -1.020 0.000 -2.515) 2.714 4.000 ( 1.020 0.000 2.515) 2.714 4.078 ( -1.281 0.000 -3.843) 4.051 4.078 ( 1.281 0.000 3.843) 4.051 4.220 ( -1.403 0.000 -3.698) 3.955 4.220 ( 1.403 0.000 3.698) 3.955 4.250 ( -2.423 0.000 -2.859) 3.748 4.250 ( 2.423 0.000 2.859) 3.748 4.746 ( 0.339 0.000 -0.428) 0.546 4.746 ( -0.339 0.000 0.428) 0.546 5.843 ( -1.042 0.000 -2.658) 2.855 5.843 ( 1.042 0.000 2.658) 2.855 6.824 ( 1.054 0.000 -1.200) 1.597 6.824 ( -1.054 0.000 1.200) 1.597 6.914 ( -3.171 0.000 -2.046) 3.774 6.914 ( 3.171 0.000 2.046) 3.774 6.979 ( 0.108 0.000 -0.184) 0.213 6.979 ( -0.108 0.000 0.184) 0.213 7.146 ( 5.007 0.000 -1.810) 5.324 7.146 ( -5.007 0.000 1.810) 5.324 7.361 ( -2.798 0.000 0.388) 2.825 7.361 ( 2.798 0.000 -0.388) 2.825 ======================= Grid point 103 (53/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.868 -0.110 -1.198) 2.222 0.805 ( 1.868 -0.110 1.198) 2.222 0.917 ( -0.397 -1.627 -1.623) 2.332 0.917 ( 0.397 -1.627 1.623) 2.332 1.000 ( -0.738 -4.543 -1.510) 4.844 1.000 ( 0.738 -4.543 1.510) 4.844 1.135 ( -1.182 1.963 -1.723) 2.867 1.135 ( 1.182 1.963 1.723) 2.867 1.196 ( -4.355 -0.930 -1.442) 4.681 1.196 ( 4.355 -0.930 1.442) 4.681 1.396 ( 0.307 -2.836 -3.251) 4.325 1.396 ( -0.307 -2.836 3.251) 4.325 1.491 ( -1.642 -1.558 -1.209) 2.566 1.491 ( 1.642 -1.558 1.209) 2.566 1.541 ( 1.433 0.102 -2.623) 2.991 1.541 ( -1.433 0.102 2.623) 2.991 1.592 ( 1.970 -0.789 -2.964) 3.645 1.592 ( -1.970 -0.789 2.964) 3.645 1.716 ( -0.103 0.325 -3.655) 3.671 1.716 ( 0.103 0.325 3.655) 3.671 1.847 ( -1.022 6.458 -3.709) 7.517 1.847 ( 1.022 6.458 3.709) 7.517 2.088 ( -2.179 -1.111 -4.387) 5.022 2.088 ( 2.179 -1.111 4.387) 5.022 2.099 ( -0.852 2.189 -2.783) 3.642 2.099 ( 0.852 2.189 2.783) 3.642 2.163 ( -5.191 -1.741 -3.004) 6.245 2.163 ( 5.191 -1.741 3.004) 6.245 2.198 ( -0.985 -1.557 -0.746) 1.988 2.198 ( 0.985 -1.557 0.746) 1.988 2.319 ( -0.595 1.541 -2.677) 3.146 2.319 ( 0.595 1.541 2.677) 3.146 2.378 ( 0.071 0.141 -1.894) 1.901 2.378 ( -0.071 0.141 1.894) 1.901 2.450 ( -0.666 -0.229 -1.710) 1.850 2.450 ( 0.666 -0.229 1.710) 1.850 2.487 ( -1.706 1.222 -0.249) 2.114 2.487 ( 1.706 1.222 0.249) 2.114 2.575 ( -0.347 0.304 -2.208) 2.256 2.575 ( 0.347 0.304 2.208) 2.256 2.666 ( -1.138 0.452 -1.903) 2.262 2.666 ( 1.138 0.452 1.903) 2.262 2.714 ( 0.250 0.168 -0.865) 0.915 2.714 ( -0.250 0.168 0.865) 0.915 2.792 ( 0.374 -1.712 -2.211) 2.822 2.792 ( -0.374 -1.712 2.211) 2.822 2.867 ( -0.095 2.507 -3.170) 4.043 2.867 ( 0.095 2.507 3.170) 4.043 2.941 ( 1.147 -4.415 -0.834) 4.637 2.941 ( -1.147 -4.415 0.834) 4.637 3.133 ( 1.048 1.044 -1.475) 2.089 3.133 ( -1.048 1.044 1.475) 2.089 3.201 ( -0.403 -3.231 -0.307) 3.271 3.201 ( 0.403 -3.231 0.307) 3.271 3.403 ( 0.621 1.166 -0.728) 1.509 3.403 ( -0.621 1.166 0.728) 1.509 3.478 ( -0.686 -1.816 -1.892) 2.710 3.478 ( 0.686 -1.816 1.892) 2.710 3.614 ( -0.605 5.766 -0.815) 5.854 3.614 ( 0.605 5.766 0.815) 5.854 3.780 ( -0.451 -1.218 -2.356) 2.691 3.780 ( 0.451 -1.218 2.356) 2.691 3.923 ( -0.772 3.932 -3.199) 5.127 3.923 ( 0.772 3.932 3.199) 5.127 4.093 ( -0.941 -2.481 -2.705) 3.789 4.093 ( 0.941 -2.481 2.705) 3.789 4.361 ( -1.663 -0.098 -1.507) 2.246 4.361 ( 1.663 -0.098 1.507) 2.246 4.390 ( -0.872 -1.154 -3.025) 3.353 4.390 ( 0.872 -1.154 3.025) 3.353 4.692 ( -0.140 -0.662 -0.996) 1.204 4.692 ( 0.140 -0.662 0.996) 1.204 5.793 ( -0.897 -0.044 0.082) 0.902 5.793 ( 0.897 -0.044 -0.082) 0.902 6.834 ( -1.658 -1.401 0.252) 2.185 6.834 ( 1.658 -1.401 -0.252) 2.185 6.912 ( 0.013 1.287 -0.428) 1.357 6.912 ( -0.013 1.287 0.428) 1.357 7.083 ( -0.019 0.529 -0.372) 0.647 7.083 ( 0.019 0.529 0.372) 0.647 7.149 ( -0.984 -1.383 -2.202) 2.780 7.149 ( 0.984 -1.383 2.202) 2.780 7.263 ( 0.177 1.610 -0.690) 1.761 7.263 ( -0.177 1.610 0.690) 1.761 ======================= Grid point 105 (54/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 1.563 -0.691 -3.002) 3.454 0.825 ( -0.435 -2.905 -3.871) 4.859 0.866 ( -1.144 0.407 -3.158) 3.383 0.952 ( -1.357 -3.005 0.336) 3.314 0.967 ( 3.082 -0.776 1.888) 3.697 1.013 ( 1.143 -1.932 -2.265) 3.189 1.138 ( -0.509 2.506 -0.148) 2.561 1.160 ( -1.267 1.302 0.626) 1.922 1.221 ( 6.536 -2.020 1.560) 7.017 1.288 ( 4.007 -2.682 -0.494) 4.847 1.355 ( -3.154 -0.404 -2.499) 4.044 1.398 ( -3.319 -2.586 2.727) 5.014 1.412 ( -6.496 -2.376 -0.793) 6.962 1.443 ( -2.113 -3.127 1.400) 4.025 1.463 ( -2.808 0.124 -5.740) 6.391 1.541 ( -0.247 -0.130 0.089) 0.293 1.578 ( 1.794 0.658 -0.995) 2.155 1.624 ( 2.363 0.379 -1.549) 2.850 1.689 ( 1.231 0.138 -2.967) 3.215 1.709 ( -1.710 -0.952 -0.522) 2.026 1.782 ( -1.515 1.336 -4.137) 4.604 1.840 ( -2.347 2.513 -1.669) 3.822 1.954 ( -3.904 1.237 -2.081) 4.594 2.018 ( -4.095 3.395 -2.497) 5.876 2.119 ( -4.079 -0.331 -2.556) 4.825 2.150 ( -1.140 -0.553 0.147) 1.276 2.174 ( 2.377 -0.333 3.134) 3.947 2.213 ( 2.505 1.212 3.737) 4.660 2.243 ( 2.552 0.115 5.754) 6.296 2.275 ( -1.282 0.794 -0.998) 1.808 2.312 ( -0.034 1.268 2.809) 3.083 2.366 ( 2.839 0.440 1.422) 3.206 2.375 ( 1.452 2.481 4.264) 5.143 2.389 ( 0.999 -0.211 -0.676) 1.225 2.460 ( 0.519 -3.332 2.003) 3.922 2.481 ( 2.237 3.252 2.132) 4.486 2.513 ( 0.936 3.022 -0.203) 3.170 2.532 ( 3.508 -0.960 4.530) 5.809 2.539 ( 0.106 -1.876 0.227) 1.893 2.605 ( 1.177 -0.172 0.111) 1.194 2.642 ( 0.840 1.151 -0.374) 1.474 2.685 ( -0.297 -0.996 1.175) 1.569 2.731 ( 0.930 -2.244 1.446) 2.827 2.747 ( 1.852 2.039 0.315) 2.773 2.790 ( 0.406 -2.534 0.512) 2.617 2.800 ( -0.721 -1.865 1.720) 2.637 2.841 ( 0.626 0.437 -3.714) 3.792 2.912 ( 0.712 1.388 0.924) 1.813 2.929 ( -0.094 -1.391 0.881) 1.649 2.965 ( 1.476 -2.794 -0.657) 3.228 3.110 ( -1.332 1.334 -0.473) 1.943 3.140 ( 1.151 1.366 -0.811) 1.962 3.181 ( -1.545 -1.517 -1.507) 2.638 3.203 ( 0.004 -2.473 0.318) 2.494 3.400 ( -0.781 1.131 -0.141) 1.381 3.409 ( 0.232 0.715 1.903) 2.046 3.466 ( 0.203 -0.357 -0.831) 0.927 3.502 ( 1.733 -1.052 0.662) 2.132 3.604 ( 0.081 3.321 0.094) 3.323 3.631 ( 0.472 4.781 -0.028) 4.804 3.729 ( -1.757 -0.483 -2.643) 3.210 3.781 ( -1.307 -1.305 -0.133) 1.852 3.894 ( -0.491 0.975 1.082) 1.537 3.995 ( 2.733 4.129 2.457) 5.528 4.040 ( -1.495 -3.543 -2.728) 4.715 4.126 ( 0.823 -0.210 0.656) 1.073 4.291 ( -2.969 0.576 -3.538) 4.654 4.325 ( -2.459 -0.456 -3.356) 4.186 4.371 ( -0.586 -0.403 -2.124) 2.240 4.398 ( -1.667 -1.405 -0.370) 2.211 4.695 ( 0.698 -0.443 0.681) 1.072 4.709 ( 0.219 -0.977 1.730) 1.999 5.772 ( 0.006 1.012 0.301) 1.056 5.833 ( 2.610 -1.487 -1.786) 3.495 6.822 ( 0.161 0.465 0.660) 0.824 6.858 ( 0.438 -0.758 -0.401) 0.963 6.901 ( -1.241 1.153 -0.317) 1.723 6.936 ( 2.930 -0.427 -0.346) 2.981 7.024 ( -3.115 0.325 -0.511) 3.174 7.041 ( -2.765 -0.096 -0.714) 2.858 7.115 ( -1.575 0.712 -2.577) 3.103 7.181 ( -0.056 -2.536 1.375) 2.885 7.285 ( 0.635 2.102 2.885) 3.625 7.321 ( 2.555 0.175 3.748) 4.539 ======================= Grid point 106 (55/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.394 0.368 0.468) 0.714 0.800 ( 1.695 -3.159 -4.842) 6.025 0.830 ( 5.542 0.258 -6.380) 8.455 0.906 ( -1.901 -4.156 1.407) 4.782 1.022 ( -1.292 -5.812 0.499) 5.975 1.047 ( -3.927 -1.588 -4.422) 6.124 1.085 ( 5.331 1.228 -2.223) 5.905 1.149 ( -1.796 3.630 2.478) 4.748 1.210 ( -3.702 -0.674 -2.441) 4.485 1.307 ( -2.702 -3.223 3.222) 5.298 1.331 ( 2.754 -1.373 -5.836) 6.597 1.367 ( -0.187 -1.319 -2.995) 3.278 1.386 ( 1.567 -1.335 2.127) 2.960 1.419 ( 1.194 -0.857 1.537) 2.127 1.437 ( -0.284 -0.286 2.050) 2.089 1.540 ( -1.366 -1.237 1.616) 2.451 1.612 ( 2.046 2.226 -1.091) 3.214 1.619 ( -1.374 3.098 -2.680) 4.321 1.670 ( 0.005 -1.533 -0.567) 1.635 1.710 ( 2.034 -1.614 0.003) 2.597 1.732 ( -1.225 0.483 1.075) 1.700 1.828 ( 1.100 -1.179 0.470) 1.680 1.877 ( -3.526 3.124 -2.928) 5.547 1.925 ( -3.930 0.528 1.357) 4.191 1.999 ( -4.445 1.627 -2.793) 5.496 2.078 ( -4.307 -0.791 -2.158) 4.882 2.219 ( 0.533 1.510 0.973) 1.874 2.243 ( -0.552 2.593 -0.464) 2.692 2.283 ( -0.316 2.755 1.656) 3.230 2.298 ( -0.204 0.206 -0.360) 0.462 2.320 ( 1.418 -0.408 3.805) 4.081 2.386 ( 1.762 0.941 -0.036) 1.998 2.435 ( 1.013 0.769 -0.462) 1.353 2.454 ( 1.415 1.889 0.119) 2.363 2.498 ( -0.091 -0.483 -0.481) 0.688 2.501 ( 2.312 1.810 5.613) 6.334 2.558 ( 2.611 -0.259 4.314) 5.049 2.594 ( 1.510 0.029 -0.066) 1.511 2.620 ( 2.761 -2.020 0.625) 3.477 2.637 ( -0.293 0.309 1.574) 1.631 2.687 ( 1.062 -2.459 1.023) 2.867 2.694 ( 2.115 -0.642 2.584) 3.401 2.743 ( -0.674 -2.630 1.330) 3.023 2.758 ( -0.408 0.573 -0.148) 0.719 2.784 ( 0.145 0.076 0.061) 0.175 2.824 ( 1.841 -4.040 -2.813) 5.256 2.863 ( 0.902 -1.400 0.865) 1.877 2.873 ( -1.444 -0.417 1.109) 1.867 2.947 ( -0.554 0.898 0.381) 1.121 2.962 ( -0.751 -1.194 -1.560) 2.103 3.084 ( -0.841 2.789 0.081) 2.914 3.133 ( -0.735 1.623 -2.639) 3.184 3.169 ( 1.109 2.114 1.628) 2.889 3.208 ( 0.444 -0.867 -0.671) 1.183 3.396 ( 0.859 1.896 -0.631) 2.176 3.445 ( -0.195 -0.468 2.421) 2.474 3.459 ( 1.166 2.201 1.207) 2.768 3.549 ( 1.559 -1.469 -0.065) 2.143 3.614 ( 0.315 1.497 0.152) 1.537 3.622 ( -0.411 1.695 -1.681) 2.422 3.695 ( -0.745 0.794 0.949) 1.445 3.752 ( -0.413 -1.697 -1.383) 2.228 3.916 ( 0.896 -1.889 2.174) 3.016 3.983 ( -1.019 -4.280 -2.360) 4.992 4.074 ( 2.162 4.123 2.060) 5.091 4.137 ( 0.227 1.495 -0.565) 1.614 4.218 ( -1.460 0.832 -1.193) 2.061 4.251 ( -2.458 -0.117 -2.151) 3.268 4.310 ( -2.061 0.194 -5.064) 5.471 4.332 ( -3.242 -0.599 -2.786) 4.316 4.721 ( 0.902 -0.735 0.981) 1.522 4.727 ( 0.103 -0.964 1.515) 1.799 5.796 ( 1.585 0.453 1.035) 1.947 5.850 ( 1.007 -1.693 -2.129) 2.900 6.831 ( -0.091 0.668 -0.537) 0.862 6.849 ( -1.985 -0.110 0.629) 2.085 6.882 ( 1.683 2.696 0.292) 3.192 6.971 ( 0.075 0.520 -0.239) 0.578 6.994 ( -1.522 -0.229 -0.352) 1.578 7.025 ( 1.996 -1.489 -0.162) 2.496 7.049 ( -1.161 0.814 -2.614) 2.974 7.168 ( -2.814 -3.214 1.675) 4.588 7.326 ( 1.475 1.748 1.813) 2.919 7.375 ( -0.328 -0.604 2.935) 3.014 ======================= Grid point 107 (56/60) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 1.693 0.893 -3.618) 4.093 0.789 ( -1.693 0.893 3.618) 4.093 0.920 ( -0.240 -0.470 -1.483) 1.574 0.920 ( 0.240 -0.470 1.483) 1.574 0.957 ( -0.383 -8.165 -6.411) 10.389 0.957 ( 0.383 -8.165 6.411) 10.389 1.123 ( 0.771 1.174 -1.880) 2.347 1.123 ( -0.771 1.174 1.880) 2.347 1.239 ( -4.693 -4.354 -0.382) 6.413 1.239 ( 4.693 -4.354 0.382) 6.413 1.336 ( 0.038 -0.125 -1.653) 1.659 1.336 ( -0.038 -0.125 1.653) 1.659 1.424 ( -1.222 3.120 -0.975) 3.490 1.424 ( 1.222 3.120 0.975) 3.490 1.511 ( 1.540 -3.739 -3.397) 5.282 1.511 ( -1.540 -3.739 3.397) 5.282 1.590 ( -0.670 2.981 -1.630) 3.463 1.590 ( 0.670 2.981 1.630) 3.463 1.711 ( -3.106 0.525 -2.902) 4.283 1.711 ( 3.106 0.525 2.902) 4.283 1.774 ( -3.960 0.174 -1.532) 4.249 1.774 ( 3.960 0.174 1.532) 4.249 1.876 ( -4.087 3.170 -4.105) 6.603 1.876 ( 4.087 3.170 4.105) 6.603 1.982 ( -3.003 -2.077 -4.008) 5.422 1.982 ( 3.003 -2.077 4.008) 5.422 2.229 ( -0.440 2.107 -0.561) 2.224 2.229 ( 0.440 2.107 0.561) 2.224 2.286 ( 0.006 0.092 -1.388) 1.391 2.286 ( -0.006 0.092 1.388) 1.391 2.378 ( -1.263 2.678 -3.061) 4.258 2.378 ( 1.263 2.678 3.061) 4.258 2.462 ( -1.957 -0.297 -2.791) 3.421 2.462 ( 1.957 -0.297 2.791) 3.421 2.521 ( 0.629 0.342 -0.940) 1.181 2.521 ( -0.629 0.342 0.940) 1.181 2.593 ( -1.114 0.248 -1.908) 2.223 2.593 ( 1.114 0.248 1.908) 2.223 2.662 ( -2.151 -1.176 -3.392) 4.185 2.662 ( 2.151 -1.176 3.392) 4.185 2.704 ( -2.071 -1.260 -1.673) 2.945 2.704 ( 2.071 -1.260 1.673) 2.945 2.750 ( 0.259 -0.581 -1.602) 1.723 2.750 ( -0.259 -0.581 1.602) 1.723 2.802 ( -1.323 -0.905 -0.779) 1.782 2.802 ( 1.323 -0.905 0.779) 1.782 2.878 ( -2.209 -2.758 -1.429) 3.812 2.878 ( 2.209 -2.758 1.429) 3.812 2.939 ( -0.261 -0.913 -1.459) 1.740 2.939 ( 0.261 -0.913 1.459) 1.740 3.097 ( -0.310 3.439 -2.860) 4.484 3.097 ( 0.310 3.439 2.860) 4.484 3.200 ( 0.486 1.508 -2.716) 3.144 3.200 ( -0.486 1.508 2.716) 3.144 3.423 ( -0.735 2.406 -1.107) 2.749 3.423 ( 0.735 2.406 1.107) 2.749 3.528 ( -1.977 -0.696 -3.316) 3.923 3.528 ( 1.977 -0.696 3.316) 3.923 3.608 ( 0.448 0.497 -1.771) 1.894 3.608 ( -0.448 0.497 1.771) 1.894 3.726 ( -0.428 -0.526 -4.125) 4.180 3.726 ( 0.428 -0.526 4.125) 4.180 3.950 ( -0.244 -3.056 -2.375) 3.878 3.950 ( 0.244 -3.056 2.375) 3.878 4.116 ( -1.067 1.898 -2.200) 3.095 4.116 ( 1.067 1.898 2.200) 3.095 4.228 ( -1.178 0.918 -2.970) 3.324 4.228 ( 1.178 0.918 2.970) 3.324 4.255 ( -1.851 0.360 -2.067) 2.798 4.255 ( 1.851 0.360 2.067) 2.798 4.735 ( 0.258 -0.915 -0.341) 1.010 4.735 ( -0.258 -0.915 0.341) 1.010 5.833 ( -0.785 -0.769 -1.797) 2.106 5.833 ( 0.785 -0.769 1.797) 2.106 6.826 ( 0.752 0.138 -0.969) 1.234 6.826 ( -0.752 0.138 0.969) 1.234 6.945 ( -2.993 2.925 -1.574) 4.471 6.945 ( 2.993 2.925 1.574) 4.471 6.981 ( -0.365 0.304 -0.304) 0.564 6.981 ( 0.365 0.304 0.304) 0.564 7.111 ( -1.647 -3.335 0.091) 3.721 7.111 ( 1.647 -3.335 -0.091) 3.721 7.365 ( -1.721 0.297 0.208) 1.759 7.365 ( 1.721 0.297 -0.208) 1.759 ======================= Grid point 111 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 0.000 0.000) 0.000 0.796 ( 0.000 0.000 0.000) 0.000 0.915 ( 0.000 0.000 0.000) 0.000 0.915 ( -0.000 -0.000 0.000) 0.000 0.934 ( -0.000 0.000 -0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 -0.000 0.000) 0.000 1.172 ( -0.000 0.000 0.000) 0.000 1.175 ( -0.000 -0.000 0.000) 0.000 1.175 ( 0.000 0.000 -0.000) 0.000 1.358 ( 0.000 0.000 -0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.469 ( -0.000 0.000 0.000) 0.000 1.557 ( 0.000 -0.000 -0.000) 0.000 1.557 ( -0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 -0.000) 0.000 1.567 ( -0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 -0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.002 ( -0.000 -0.000 -0.000) 0.000 2.002 ( -0.000 0.000 -0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.151 ( -0.000 -0.000 -0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.349 ( -0.000 0.000 -0.000) 0.000 2.349 ( -0.000 0.000 -0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.464 ( -0.000 0.000 -0.000) 0.000 2.464 ( -0.000 0.000 0.000) 0.000 2.490 ( 0.000 -0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 -0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 -0.000 0.000) 0.000 2.661 ( -0.000 0.000 0.000) 0.000 2.733 ( -0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 -0.000) 0.000 2.740 ( -0.000 -0.000 0.000) 0.000 2.740 ( -0.000 -0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.151 ( -0.000 0.000 -0.000) 0.000 3.151 ( -0.000 0.000 -0.000) 0.000 3.152 ( -0.000 -0.000 0.000) 0.000 3.152 ( 0.000 -0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.721 ( -0.000 -0.000 -0.000) 0.000 3.721 ( 0.000 -0.000 0.000) 0.000 3.723 ( -0.000 0.000 -0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 4.012 ( -0.000 -0.000 -0.000) 0.000 4.012 ( -0.000 0.000 -0.000) 0.000 4.024 ( 0.000 -0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.367 ( -0.000 -0.000 -0.000) 0.000 4.367 ( 0.000 -0.000 0.000) 0.000 4.369 ( -0.000 0.000 -0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.684 ( -0.000 0.000 0.000) 0.000 5.793 ( -0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 6.819 ( -0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 7.091 ( -0.000 0.000 0.000) 0.000 7.091 ( -0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.281 ( -0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 115 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.339 -1.407 -1.760) 2.279 0.780 ( 0.339 1.407 -1.760) 2.279 0.881 ( -1.921 -1.834 -1.399) 3.002 0.881 ( -1.921 1.834 -1.399) 3.002 0.983 ( 2.179 -1.619 -1.024) 2.901 0.983 ( 2.179 1.619 -1.024) 2.901 1.180 ( 3.260 -2.296 -0.503) 4.019 1.180 ( 3.260 2.296 -0.503) 4.019 1.220 ( 1.916 -4.011 1.437) 4.672 1.220 ( 1.916 4.011 1.437) 4.672 1.361 ( -4.315 -1.230 0.775) 4.553 1.361 ( -4.315 1.230 0.775) 4.553 1.380 ( -3.832 -0.673 -1.539) 4.184 1.380 ( -3.832 0.673 -1.539) 4.184 1.518 ( -0.284 -2.741 -1.938) 3.369 1.518 ( -0.284 2.741 -1.938) 3.369 1.593 ( 1.953 -1.532 -0.155) 2.487 1.593 ( 1.953 1.532 -0.155) 2.487 1.702 ( -0.151 -0.704 -2.332) 2.440 1.702 ( -0.151 0.704 -2.332) 2.440 1.830 ( -5.637 -2.971 -5.267) 8.267 1.830 ( -5.637 2.971 -5.267) 8.267 2.038 ( -1.475 -5.141 -0.363) 5.361 2.038 ( -1.475 5.141 -0.363) 5.361 2.095 ( -2.781 -1.417 -1.954) 3.682 2.095 ( -2.781 1.417 -1.954) 3.682 2.205 ( 1.899 -2.378 3.532) 4.662 2.205 ( 1.899 2.378 3.532) 4.662 2.269 ( 2.567 -1.972 2.577) 4.138 2.269 ( 2.567 1.972 2.577) 4.138 2.338 ( 2.413 -1.537 1.915) 3.443 2.338 ( 2.413 1.537 1.915) 3.443 2.419 ( 2.450 -0.573 4.161) 4.863 2.419 ( 2.450 0.573 4.161) 4.863 2.451 ( 0.064 -3.725 0.474) 3.756 2.451 ( 0.064 3.725 0.474) 3.756 2.517 ( 1.436 -0.951 0.477) 1.787 2.517 ( 1.436 0.951 0.477) 1.787 2.606 ( 0.753 -5.816 -0.927) 5.938 2.606 ( 0.753 5.816 -0.927) 5.938 2.675 ( 0.779 -1.897 2.055) 2.903 2.675 ( 0.779 1.897 2.055) 2.903 2.699 ( -2.819 -4.700 0.379) 5.493 2.699 ( -2.819 4.700 0.379) 5.493 2.777 ( 2.546 -0.697 0.982) 2.816 2.777 ( 2.546 0.697 0.982) 2.816 2.864 ( -0.921 -2.622 -1.460) 3.140 2.864 ( -0.921 2.622 -1.460) 3.140 2.954 ( 1.914 -0.383 1.528) 2.479 2.954 ( 1.914 0.383 1.528) 2.479 3.132 ( -0.234 -1.892 -0.346) 1.938 3.132 ( -0.234 1.892 -0.346) 1.938 3.173 ( 0.610 -1.627 0.234) 1.753 3.173 ( 0.610 1.627 0.234) 1.753 3.413 ( -0.905 -0.216 0.743) 1.191 3.413 ( -0.905 0.216 0.743) 1.191 3.476 ( 2.051 -1.259 0.644) 2.491 3.476 ( 2.051 1.259 0.644) 2.491 3.678 ( -1.306 -3.407 -2.468) 4.405 3.678 ( -1.306 3.407 -2.468) 4.405 3.730 ( -0.579 -3.838 -0.270) 3.890 3.730 ( -0.579 3.838 -0.270) 3.890 3.952 ( -2.225 -4.172 -1.615) 4.996 3.952 ( -2.225 4.172 -1.615) 4.996 4.087 ( 2.204 -3.703 2.401) 4.933 4.087 ( 2.204 3.703 2.401) 4.933 4.308 ( -2.625 -1.110 -2.891) 4.060 4.308 ( -2.625 1.110 -2.891) 4.060 4.375 ( -0.517 -0.831 -2.219) 2.425 4.375 ( -0.517 0.831 -2.219) 2.425 4.693 ( 0.377 -0.418 1.218) 1.341 4.693 ( 0.377 0.418 1.218) 1.341 5.800 ( 0.947 -1.710 -0.497) 2.017 5.800 ( 0.947 1.710 -0.497) 2.017 6.838 ( 1.305 -1.118 0.537) 1.800 6.838 ( 1.305 1.118 0.537) 1.800 6.923 ( 0.365 -0.910 -0.882) 1.319 6.923 ( 0.365 0.910 -0.882) 1.319 7.034 ( -3.282 -0.552 -0.805) 3.424 7.034 ( -3.282 0.552 -0.805) 3.424 7.138 ( -0.539 -1.715 -0.583) 1.890 7.138 ( -0.539 1.715 -0.583) 1.890 7.315 ( 1.133 -0.911 3.426) 3.722 7.315 ( 1.133 0.911 3.426) 3.722 ======================= Grid point 117 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 1.079 -2.012 0.083) 2.284 0.787 ( 1.079 2.012 0.083) 2.284 0.847 ( 0.851 -1.154 -2.906) 3.240 0.847 ( 0.851 1.154 -2.906) 3.240 0.969 ( -1.893 -2.691 -2.142) 3.926 0.969 ( -1.893 2.691 -2.142) 3.926 1.162 ( 0.243 -3.748 -6.352) 7.379 1.162 ( 0.243 3.748 -6.352) 7.379 1.224 ( -4.551 -3.957 2.833) 6.662 1.224 ( -4.551 3.957 2.833) 6.662 1.337 ( 3.116 -1.141 -3.874) 5.100 1.337 ( 3.116 1.141 -3.874) 5.100 1.383 ( 1.365 -1.248 4.905) 5.242 1.383 ( 1.365 1.248 4.905) 5.242 1.493 ( -1.555 -3.571 1.418) 4.145 1.493 ( -1.555 3.571 1.418) 4.145 1.644 ( -0.468 -1.058 0.647) 1.325 1.644 ( -0.468 1.058 0.647) 1.325 1.667 ( 1.690 -1.645 -3.368) 4.111 1.667 ( 1.690 1.645 -3.368) 4.111 1.776 ( 2.082 -3.325 2.154) 4.475 1.776 ( 2.082 3.325 2.154) 4.475 1.928 ( -5.582 -1.292 -3.061) 6.496 1.928 ( -5.582 1.292 -3.061) 6.496 2.044 ( -3.010 -2.934 -1.919) 4.621 2.044 ( -3.010 2.934 -1.919) 4.621 2.256 ( 0.825 -2.324 0.841) 2.606 2.256 ( 0.825 2.324 0.841) 2.606 2.283 ( 0.300 -1.145 0.533) 1.298 2.283 ( 0.300 1.145 0.533) 1.298 2.375 ( -0.702 -3.326 1.248) 3.621 2.375 ( -0.702 3.326 1.248) 3.621 2.458 ( 1.880 -2.642 1.181) 3.451 2.458 ( 1.880 2.642 1.181) 3.451 2.522 ( 2.087 -3.013 0.539) 3.704 2.522 ( 2.087 3.013 0.539) 3.704 2.568 ( 0.983 -0.331 3.409) 3.563 2.568 ( 0.983 0.331 3.409) 3.563 2.631 ( 0.211 -2.335 -0.389) 2.377 2.631 ( 0.211 2.335 -0.389) 2.377 2.655 ( 0.616 -2.828 1.104) 3.098 2.655 ( 0.616 2.828 1.104) 3.098 2.722 ( 2.922 -1.316 1.871) 3.711 2.722 ( 2.922 1.316 1.871) 3.711 2.818 ( -1.168 -2.798 -2.747) 4.092 2.818 ( -1.168 2.798 -2.747) 4.092 2.838 ( 0.176 -2.782 2.601) 3.813 2.838 ( 0.176 2.782 2.601) 3.813 2.958 ( -1.676 -0.070 -0.899) 1.903 2.958 ( -1.676 0.070 -0.899) 1.903 3.138 ( 0.703 -2.075 0.292) 2.210 3.138 ( 0.703 2.075 0.292) 2.210 3.187 ( 0.644 -0.520 0.844) 1.182 3.187 ( 0.644 0.520 0.844) 1.182 3.429 ( 1.314 -1.014 1.937) 2.550 3.429 ( 1.314 1.014 1.937) 2.550 3.510 ( 0.804 -2.451 0.019) 2.580 3.510 ( 0.804 2.451 0.019) 2.580 3.642 ( -0.374 -0.594 -2.949) 3.031 3.642 ( -0.374 0.594 -2.949) 3.031 3.713 ( -0.509 -1.617 0.402) 1.742 3.713 ( -0.509 1.617 0.402) 1.742 3.917 ( -0.666 -2.015 0.046) 2.122 3.917 ( -0.666 2.015 0.046) 2.122 4.135 ( 0.991 -1.789 0.797) 2.195 4.135 ( 0.991 1.789 0.797) 2.195 4.238 ( -1.780 -1.053 -1.675) 2.661 4.238 ( -1.780 1.053 -1.675) 2.661 4.320 ( -1.955 -0.636 -3.966) 4.468 4.320 ( -1.955 0.636 -3.966) 4.468 4.713 ( 0.410 -0.185 1.248) 1.327 4.713 ( 0.410 0.185 1.248) 1.327 5.815 ( 1.017 -1.518 -0.393) 1.869 5.815 ( 1.017 1.518 -0.393) 1.869 6.843 ( -1.093 -0.513 -0.084) 1.210 6.843 ( -1.093 0.513 -0.084) 1.210 6.951 ( 3.417 -3.637 -0.338) 5.002 6.951 ( 3.417 3.637 -0.338) 5.002 6.989 ( -0.987 -0.234 -0.222) 1.038 6.989 ( -0.987 0.234 -0.222) 1.038 7.101 ( -2.973 -3.425 -0.217) 4.541 7.101 ( -2.973 3.425 -0.217) 4.541 7.356 ( 0.308 -1.288 2.376) 2.720 7.356 ( 0.308 1.288 2.376) 2.720 ======================= Grid point 119 (60/60) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 -0.000 0.000) 0.000 0.816 ( 0.000 0.000 -0.000) 0.000 0.837 ( 0.000 -0.000 -0.000) 0.000 0.837 ( -0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 -0.000) 0.000 0.926 ( 0.000 0.000 -0.000) 0.000 1.155 ( 0.000 0.000 -0.000) 0.000 1.155 ( -0.000 -0.000 0.000) 0.000 1.170 ( 0.000 0.000 -0.000) 0.000 1.170 ( -0.000 0.000 0.000) 0.000 1.334 ( 0.000 0.000 -0.000) 0.000 1.334 ( 0.000 0.000 -0.000) 0.000 1.457 ( -0.000 -0.000 0.000) 0.000 1.457 ( -0.000 0.000 0.000) 0.000 1.460 ( 0.000 -0.000 -0.000) 0.000 1.460 ( 0.000 0.000 -0.000) 0.000 1.631 ( 0.000 0.000 -0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 -0.000) 0.000 1.701 ( 0.000 0.000 -0.000) 0.000 1.794 ( 0.000 0.000 -0.000) 0.000 1.794 ( 0.000 0.000 -0.000) 0.000 1.923 ( 0.000 0.000 -0.000) 0.000 1.923 ( 0.000 -0.000 0.000) 0.000 1.943 ( 0.000 0.000 -0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 -0.000) 0.000 2.263 ( 0.000 0.000 -0.000) 0.000 2.290 ( 0.000 0.000 -0.000) 0.000 2.290 ( 0.000 0.000 -0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 -0.000) 0.000 2.500 ( -0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 -0.000) 0.000 2.531 ( 0.000 -0.000 -0.000) 0.000 2.531 ( 0.000 0.000 -0.000) 0.000 2.593 ( -0.000 -0.000 -0.000) 0.000 2.593 ( 0.000 0.000 -0.000) 0.000 2.600 ( 0.000 0.000 -0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 -0.000) 0.000 2.710 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.795 ( -0.000 0.000 -0.000) 0.000 2.795 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 -0.000) 0.000 2.934 ( 0.000 0.000 -0.000) 0.000 2.934 ( 0.000 0.000 -0.000) 0.000 3.150 ( 0.000 -0.000 -0.000) 0.000 3.150 ( 0.000 0.000 -0.000) 0.000 3.198 ( 0.000 -0.000 -0.000) 0.000 3.198 ( 0.000 0.000 -0.000) 0.000 3.467 ( 0.000 0.000 -0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 -0.000) 0.000 3.508 ( 0.000 0.000 -0.000) 0.000 3.617 ( 0.000 0.000 -0.000) 0.000 3.617 ( 0.000 0.000 -0.000) 0.000 3.719 ( 0.000 0.000 -0.000) 0.000 3.719 ( 0.000 0.000 -0.000) 0.000 3.916 ( 0.000 0.000 -0.000) 0.000 3.916 ( 0.000 0.000 -0.000) 0.000 4.132 ( 0.000 0.000 -0.000) 0.000 4.132 ( 0.000 0.000 -0.000) 0.000 4.244 ( 0.000 0.000 -0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 -0.000) 0.000 4.258 ( 0.000 0.000 -0.000) 0.000 4.723 ( 0.000 0.000 -0.000) 0.000 4.723 ( 0.000 0.000 -0.000) 0.000 5.824 ( 0.000 0.000 -0.000) 0.000 5.824 ( 0.000 0.000 -0.000) 0.000 6.827 ( 0.000 0.000 -0.000) 0.000 6.827 ( 0.000 0.000 -0.000) 0.000 6.976 ( 0.000 0.000 -0.000) 0.000 6.976 ( 0.000 0.000 -0.000) 0.000 7.021 ( 0.000 0.000 -0.000) 0.000 7.021 ( 0.000 0.000 -0.000) 0.000 7.040 ( -0.000 0.000 -0.000) 0.000 7.040 ( 0.000 0.000 -0.000) 0.000 7.369 ( 0.000 0.000 -0.000) 0.000 7.369 ( 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 3/12096 10.0 12.031 10.623 13.610 0.000 1.736 0.000 3/12096 20.0 2.616 2.331 3.169 0.000 0.418 0.000 3/12096 30.0 1.314 1.174 1.622 0.000 0.215 0.000 3/12096 40.0 0.870 0.779 1.085 0.000 0.146 0.000 3/12096 50.0 0.655 0.589 0.823 0.000 0.112 0.000 3/12096 60.0 0.530 0.478 0.669 0.000 0.092 0.000 3/12096 70.0 0.448 0.405 0.568 0.000 0.079 0.000 3/12096 80.0 0.390 0.353 0.495 0.000 0.070 0.000 3/12096 90.0 0.347 0.314 0.440 0.000 0.063 0.000 3/12096 100.0 0.314 0.283 0.397 0.000 0.057 0.000 3/12096 110.0 0.287 0.258 0.363 0.000 0.053 0.000 3/12096 120.0 0.264 0.237 0.334 0.000 0.049 0.000 3/12096 130.0 0.245 0.220 0.310 0.000 0.046 0.000 3/12096 140.0 0.229 0.205 0.289 0.000 0.043 0.000 3/12096 150.0 0.215 0.192 0.271 0.000 0.041 0.000 3/12096 160.0 0.203 0.181 0.255 0.000 0.039 0.000 3/12096 170.0 0.192 0.170 0.241 0.000 0.037 0.000 3/12096 180.0 0.182 0.161 0.228 0.000 0.035 0.000 3/12096 190.0 0.173 0.153 0.217 0.000 0.034 0.000 3/12096 200.0 0.165 0.146 0.207 0.000 0.032 0.000 3/12096 210.0 0.158 0.140 0.198 0.000 0.031 0.000 3/12096 220.0 0.151 0.134 0.189 0.000 0.030 0.000 3/12096 230.0 0.145 0.128 0.181 0.000 0.029 0.000 3/12096 240.0 0.140 0.123 0.174 0.000 0.028 0.000 3/12096 250.0 0.134 0.118 0.168 0.000 0.027 0.000 3/12096 260.0 0.130 0.114 0.162 0.000 0.026 0.000 3/12096 270.0 0.125 0.110 0.156 0.000 0.025 0.000 3/12096 280.0 0.121 0.106 0.151 0.000 0.024 0.000 3/12096 290.0 0.117 0.103 0.146 0.000 0.024 0.000 3/12096 300.0 0.114 0.099 0.141 0.000 0.023 0.000 3/12096 310.0 0.110 0.096 0.137 0.000 0.022 0.000 3/12096 320.0 0.107 0.093 0.133 0.000 0.022 0.000 3/12096 330.0 0.104 0.091 0.129 0.000 0.021 0.000 3/12096 340.0 0.101 0.088 0.125 0.000 0.020 0.000 3/12096 350.0 0.098 0.086 0.122 0.000 0.020 0.000 3/12096 360.0 0.096 0.083 0.119 0.000 0.019 0.000 3/12096 370.0 0.093 0.081 0.115 0.000 0.019 0.000 3/12096 380.0 0.091 0.079 0.113 0.000 0.018 0.000 3/12096 390.0 0.089 0.077 0.110 0.000 0.018 0.000 3/12096 400.0 0.087 0.075 0.107 0.000 0.018 0.000 3/12096 410.0 0.085 0.074 0.105 0.000 0.017 0.000 3/12096 420.0 0.083 0.072 0.102 0.000 0.017 0.000 3/12096 430.0 0.081 0.070 0.100 0.000 0.017 0.000 3/12096 440.0 0.079 0.069 0.098 0.000 0.016 0.000 3/12096 450.0 0.077 0.067 0.096 0.000 0.016 0.000 3/12096 460.0 0.076 0.066 0.094 0.000 0.016 0.000 3/12096 470.0 0.074 0.064 0.092 0.000 0.015 0.000 3/12096 480.0 0.073 0.063 0.090 0.000 0.015 0.000 3/12096 490.0 0.071 0.062 0.088 0.000 0.015 0.000 3/12096 500.0 0.070 0.061 0.086 0.000 0.014 0.000 3/12096 510.0 0.069 0.060 0.085 0.000 0.014 0.000 3/12096 520.0 0.067 0.058 0.083 0.000 0.014 0.000 3/12096 530.0 0.066 0.057 0.082 0.000 0.014 0.000 3/12096 540.0 0.065 0.056 0.080 0.000 0.013 0.000 3/12096 550.0 0.064 0.055 0.079 0.000 0.013 0.000 3/12096 560.0 0.063 0.054 0.077 0.000 0.013 0.000 3/12096 570.0 0.062 0.053 0.076 0.000 0.013 0.000 3/12096 580.0 0.061 0.053 0.075 0.000 0.013 0.000 3/12096 590.0 0.060 0.052 0.074 0.000 0.012 0.000 3/12096 600.0 0.059 0.051 0.072 0.000 0.012 0.000 3/12096 610.0 0.058 0.050 0.071 0.000 0.012 0.000 3/12096 620.0 0.057 0.049 0.070 0.000 0.012 0.000 3/12096 630.0 0.056 0.048 0.069 0.000 0.012 0.000 3/12096 640.0 0.055 0.048 0.068 0.000 0.011 0.000 3/12096 650.0 0.054 0.047 0.067 0.000 0.011 0.000 3/12096 660.0 0.054 0.046 0.066 0.000 0.011 0.000 3/12096 670.0 0.053 0.046 0.065 0.000 0.011 0.000 3/12096 680.0 0.052 0.045 0.064 0.000 0.011 0.000 3/12096 690.0 0.051 0.044 0.063 0.000 0.011 0.000 3/12096 700.0 0.051 0.044 0.062 0.000 0.011 0.000 3/12096 710.0 0.050 0.043 0.061 0.000 0.010 0.000 3/12096 720.0 0.049 0.043 0.061 0.000 0.010 0.000 3/12096 730.0 0.049 0.042 0.060 0.000 0.010 0.000 3/12096 740.0 0.048 0.041 0.059 0.000 0.010 0.000 3/12096 750.0 0.047 0.041 0.058 0.000 0.010 0.000 3/12096 760.0 0.047 0.040 0.058 0.000 0.010 0.000 3/12096 770.0 0.046 0.040 0.057 0.000 0.010 0.000 3/12096 780.0 0.046 0.039 0.056 0.000 0.009 0.000 3/12096 790.0 0.045 0.039 0.055 0.000 0.009 0.000 3/12096 800.0 0.045 0.038 0.055 0.000 0.009 0.000 3/12096 810.0 0.044 0.038 0.054 0.000 0.009 0.000 3/12096 820.0 0.043 0.037 0.053 0.000 0.009 0.000 3/12096 830.0 0.043 0.037 0.053 0.000 0.009 0.000 3/12096 840.0 0.042 0.037 0.052 0.000 0.009 0.000 3/12096 850.0 0.042 0.036 0.052 0.000 0.009 0.000 3/12096 860.0 0.041 0.036 0.051 0.000 0.009 0.000 3/12096 870.0 0.041 0.035 0.050 0.000 0.009 0.000 3/12096 880.0 0.041 0.035 0.050 0.000 0.008 0.000 3/12096 890.0 0.040 0.035 0.049 0.000 0.008 0.000 3/12096 900.0 0.040 0.034 0.049 0.000 0.008 0.000 3/12096 910.0 0.039 0.034 0.048 0.000 0.008 0.000 3/12096 920.0 0.039 0.033 0.048 0.000 0.008 0.000 3/12096 930.0 0.038 0.033 0.047 0.000 0.008 0.000 3/12096 940.0 0.038 0.033 0.047 0.000 0.008 0.000 3/12096 950.0 0.038 0.032 0.046 0.000 0.008 0.000 3/12096 960.0 0.037 0.032 0.046 0.000 0.008 0.000 3/12096 970.0 0.037 0.032 0.045 0.000 0.008 0.000 3/12096 980.0 0.037 0.031 0.045 0.000 0.008 0.000 3/12096 990.0 0.036 0.031 0.044 0.000 0.008 0.000 3/12096 1000.0 0.036 0.031 0.044 0.000 0.007 0.000 3/12096 Thermal conductivity related properties were written into "kappa-m646.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:32:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|