----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:38:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.376291970337657 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961161830000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): *1 K 0.42312483941502 0.83642334023878 0.35642976426829 39.098 *2 K 0.06944838269737 0.35892877912991 0.63926961856148 39.098 3 K 0.93055161730263 0.85892877912991 0.86073038143852 39.098 4 K 0.42312483941502 0.66357665976122 0.85642976426829 39.098 5 K 0.57687516058498 0.33642334023878 0.14357023573171 39.098 6 K 0.93055161730263 0.64107122087009 0.36073038143852 39.098 7 K 0.57687516058498 0.16357665976122 0.64357023573171 39.098 8 K 0.06944838269737 0.14107122087009 0.13926961856148 39.098 *9 Na 0.63916368880017 0.87620950198470 0.08782194690138 22.990 10 Na 0.36083631119983 0.12379049801530 0.91217805309862 22.990 11 Na 0.36083631119983 0.37620950198470 0.41217805309862 22.990 12 Na 0.63916368880017 0.62379049801530 0.58782194690138 22.990 *13 Tl 0.85470410998116 0.37263976981023 0.90846509742717 204.383 14 Tl 0.85470410998116 0.12736023018977 0.40846509742717 204.383 15 Tl 0.14529589001884 0.87263976981023 0.59153490257283 204.383 16 Tl 0.14529589001884 0.62736023018977 0.09153490257283 204.383 *17 O 0.75533500748249 0.50397517920541 0.75505619229094 15.999 *18 O 0.28016811864905 0.87930446460767 0.03167017549896 15.999 19 O 0.28016811864905 0.62069553539233 0.53167017549896 15.999 20 O 0.71983188135095 0.37930446460767 0.46832982450104 15.999 *21 O 0.19806248288794 0.10250401562139 0.46282036384010 15.999 22 O 0.80193751711206 0.89749598437861 0.53717963615990 15.999 23 O 0.80193751711206 0.60250401562139 0.03717963615990 15.999 24 O 0.75533500748249 0.99602482079459 0.25505619229094 15.999 25 O 0.24466499251751 0.49602482079459 0.24494380770906 15.999 26 O 0.24466499251751 0.00397517920541 0.74494380770906 15.999 27 O 0.71983188135095 0.12069553539233 0.96832982450104 15.999 28 O 0.19806248288794 0.39749598437861 0.96282036384010 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.376291970337657 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961161830000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): *1 K 0.42312483941502 0.83642334023878 0.35642976426829 39.098 > 1 *2 K 0.06944838269737 0.35892877912991 0.63926961856148 39.098 > 2 3 K 0.93055161730263 0.85892877912991 0.86073038143852 39.098 > 3 4 K 0.42312483941502 0.66357665976122 0.85642976426829 39.098 > 4 5 K 0.57687516058498 0.33642334023878 0.14357023573171 39.098 > 5 6 K 0.93055161730263 0.64107122087009 0.36073038143852 39.098 > 6 7 K 0.57687516058498 0.16357665976122 0.64357023573171 39.098 > 7 8 K 0.06944838269737 0.14107122087009 0.13926961856148 39.098 > 8 *9 Na 0.63916368880017 0.87620950198470 0.08782194690138 22.990 > 9 10 Na 0.36083631119983 0.12379049801530 0.91217805309862 22.990 > 10 11 Na 0.36083631119983 0.37620950198470 0.41217805309862 22.990 > 11 12 Na 0.63916368880017 0.62379049801530 0.58782194690138 22.990 > 12 *13 Tl 0.85470410998116 0.37263976981023 0.90846509742717 204.383 > 13 14 Tl 0.85470410998116 0.12736023018977 0.40846509742717 204.383 > 14 15 Tl 0.14529589001884 0.87263976981023 0.59153490257283 204.383 > 15 16 Tl 0.14529589001884 0.62736023018977 0.09153490257283 204.383 > 16 *17 O 0.75533500748249 0.50397517920541 0.75505619229094 15.999 > 17 *18 O 0.28016811864905 0.87930446460767 0.03167017549896 15.999 > 18 19 O 0.28016811864905 0.62069553539233 0.53167017549896 15.999 > 19 20 O 0.71983188135095 0.37930446460767 0.46832982450104 15.999 > 20 *21 O 0.19806248288794 0.10250401562139 0.46282036384010 15.999 > 21 22 O 0.80193751711206 0.89749598437861 0.53717963615990 15.999 > 22 23 O 0.80193751711206 0.60250401562139 0.03717963615990 15.999 > 23 24 O 0.75533500748249 0.99602482079459 0.25505619229094 15.999 > 24 25 O 0.24466499251751 0.49602482079459 0.24494380770906 15.999 > 25 26 O 0.24466499251751 0.00397517920541 0.74494380770906 15.999 > 26 27 O 0.71983188135095 0.12069553539233 0.96832982450104 15.999 > 27 28 O 0.19806248288794 0.39749598437861 0.96282036384010 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.752583940675313 0.000000000000000 0.000000000000000 b 0.000000000000000 13.922323660000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): *1 K 0.21156241970751 0.41821167011939 0.35642976426829 39.098 > 1 2 K 0.71156241970751 0.41821167011939 0.35642976426829 39.098 > 1 3 K 0.21156241970751 0.91821167011939 0.35642976426829 39.098 > 1 4 K 0.71156241970751 0.91821167011939 0.35642976426829 39.098 > 1 *5 K 0.03472419134869 0.17946438956495 0.63926961856148 39.098 > 2 6 K 0.53472419134869 0.17946438956495 0.63926961856148 39.098 > 2 7 K 0.03472419134869 0.67946438956495 0.63926961856148 39.098 > 2 8 K 0.53472419134869 0.67946438956495 0.63926961856148 39.098 > 2 9 K 0.46527580865131 0.42946438956495 0.86073038143852 39.098 > 3 10 K 0.96527580865131 0.42946438956495 0.86073038143852 39.098 > 3 11 K 0.46527580865131 0.92946438956495 0.86073038143852 39.098 > 3 12 K 0.96527580865131 0.92946438956495 0.86073038143852 39.098 > 3 13 K 0.21156241970751 0.33178832988061 0.85642976426829 39.098 > 4 14 K 0.71156241970751 0.33178832988061 0.85642976426829 39.098 > 4 15 K 0.21156241970751 0.83178832988061 0.85642976426829 39.098 > 4 16 K 0.71156241970751 0.83178832988061 0.85642976426829 39.098 > 4 17 K 0.28843758029249 0.16821167011939 0.14357023573171 39.098 > 5 18 K 0.78843758029249 0.16821167011939 0.14357023573171 39.098 > 5 19 K 0.28843758029249 0.66821167011939 0.14357023573171 39.098 > 5 20 K 0.78843758029249 0.66821167011939 0.14357023573171 39.098 > 5 21 K 0.46527580865131 0.32053561043505 0.36073038143852 39.098 > 6 22 K 0.96527580865131 0.32053561043505 0.36073038143852 39.098 > 6 23 K 0.46527580865131 0.82053561043505 0.36073038143852 39.098 > 6 24 K 0.96527580865131 0.82053561043505 0.36073038143852 39.098 > 6 25 K 0.28843758029249 0.08178832988061 0.64357023573171 39.098 > 7 26 K 0.78843758029249 0.08178832988061 0.64357023573171 39.098 > 7 27 K 0.28843758029249 0.58178832988061 0.64357023573171 39.098 > 7 28 K 0.78843758029249 0.58178832988061 0.64357023573171 39.098 > 7 29 K 0.03472419134869 0.07053561043505 0.13926961856148 39.098 > 8 30 K 0.53472419134869 0.07053561043505 0.13926961856148 39.098 > 8 31 K 0.03472419134869 0.57053561043505 0.13926961856148 39.098 > 8 32 K 0.53472419134869 0.57053561043505 0.13926961856148 39.098 > 8 *33 Na 0.31958184440009 0.43810475099235 0.08782194690138 22.990 > 9 34 Na 0.81958184440009 0.43810475099235 0.08782194690138 22.990 > 9 35 Na 0.31958184440009 0.93810475099235 0.08782194690138 22.990 > 9 36 Na 0.81958184440009 0.93810475099235 0.08782194690138 22.990 > 9 37 Na 0.18041815559992 0.06189524900765 0.91217805309862 22.990 > 10 38 Na 0.68041815559992 0.06189524900765 0.91217805309862 22.990 > 10 39 Na 0.18041815559992 0.56189524900765 0.91217805309862 22.990 > 10 40 Na 0.68041815559992 0.56189524900765 0.91217805309862 22.990 > 10 41 Na 0.18041815559992 0.18810475099235 0.41217805309862 22.990 > 11 42 Na 0.68041815559992 0.18810475099235 0.41217805309862 22.990 > 11 43 Na 0.18041815559992 0.68810475099235 0.41217805309862 22.990 > 11 44 Na 0.68041815559992 0.68810475099235 0.41217805309862 22.990 > 11 45 Na 0.31958184440009 0.31189524900765 0.58782194690138 22.990 > 12 46 Na 0.81958184440009 0.31189524900765 0.58782194690138 22.990 > 12 47 Na 0.31958184440009 0.81189524900765 0.58782194690138 22.990 > 12 48 Na 0.81958184440009 0.81189524900765 0.58782194690138 22.990 > 12 *49 Tl 0.42735205499058 0.18631988490512 0.90846509742717 204.383 > 13 50 Tl 0.92735205499058 0.18631988490512 0.90846509742717 204.383 > 13 51 Tl 0.42735205499058 0.68631988490511 0.90846509742717 204.383 > 13 52 Tl 0.92735205499058 0.68631988490511 0.90846509742717 204.383 > 13 53 Tl 0.42735205499058 0.06368011509488 0.40846509742717 204.383 > 14 54 Tl 0.92735205499058 0.06368011509488 0.40846509742717 204.383 > 14 55 Tl 0.42735205499058 0.56368011509489 0.40846509742717 204.383 > 14 56 Tl 0.92735205499058 0.56368011509489 0.40846509742717 204.383 > 14 57 Tl 0.07264794500942 0.43631988490511 0.59153490257283 204.383 > 15 58 Tl 0.57264794500942 0.43631988490511 0.59153490257283 204.383 > 15 59 Tl 0.07264794500942 0.93631988490511 0.59153490257283 204.383 > 15 60 Tl 0.57264794500942 0.93631988490511 0.59153490257283 204.383 > 15 61 Tl 0.07264794500942 0.31368011509489 0.09153490257283 204.383 > 16 62 Tl 0.57264794500942 0.31368011509489 0.09153490257283 204.383 > 16 63 Tl 0.07264794500942 0.81368011509489 0.09153490257283 204.383 > 16 64 Tl 0.57264794500942 0.81368011509489 0.09153490257283 204.383 > 16 *65 O 0.37766750374124 0.25198758960270 0.75505619229094 15.999 > 17 66 O 0.87766750374124 0.25198758960270 0.75505619229094 15.999 > 17 67 O 0.37766750374124 0.75198758960270 0.75505619229094 15.999 > 17 68 O 0.87766750374124 0.75198758960270 0.75505619229094 15.999 > 17 *69 O 0.14008405932452 0.43965223230383 0.03167017549896 15.999 > 18 70 O 0.64008405932452 0.43965223230383 0.03167017549896 15.999 > 18 71 O 0.14008405932452 0.93965223230383 0.03167017549896 15.999 > 18 72 O 0.64008405932452 0.93965223230383 0.03167017549896 15.999 > 18 73 O 0.14008405932452 0.31034776769617 0.53167017549896 15.999 > 19 74 O 0.64008405932452 0.31034776769617 0.53167017549896 15.999 > 19 75 O 0.14008405932452 0.81034776769617 0.53167017549896 15.999 > 19 76 O 0.64008405932452 0.81034776769617 0.53167017549896 15.999 > 19 77 O 0.35991594067548 0.18965223230383 0.46832982450104 15.999 > 20 78 O 0.85991594067548 0.18965223230383 0.46832982450104 15.999 > 20 79 O 0.35991594067548 0.68965223230383 0.46832982450104 15.999 > 20 80 O 0.85991594067548 0.68965223230383 0.46832982450104 15.999 > 20 *81 O 0.09903124144397 0.05125200781070 0.46282036384010 15.999 > 21 82 O 0.59903124144397 0.05125200781070 0.46282036384010 15.999 > 21 83 O 0.09903124144397 0.55125200781070 0.46282036384010 15.999 > 21 84 O 0.59903124144397 0.55125200781070 0.46282036384010 15.999 > 21 85 O 0.40096875855603 0.44874799218930 0.53717963615990 15.999 > 22 86 O 0.90096875855603 0.44874799218930 0.53717963615990 15.999 > 22 87 O 0.40096875855603 0.94874799218930 0.53717963615990 15.999 > 22 88 O 0.90096875855603 0.94874799218930 0.53717963615990 15.999 > 22 89 O 0.40096875855603 0.30125200781070 0.03717963615990 15.999 > 23 90 O 0.90096875855603 0.30125200781070 0.03717963615990 15.999 > 23 91 O 0.40096875855603 0.80125200781070 0.03717963615990 15.999 > 23 92 O 0.90096875855603 0.80125200781070 0.03717963615990 15.999 > 23 93 O 0.37766750374124 0.49801241039730 0.25505619229094 15.999 > 24 94 O 0.87766750374124 0.49801241039730 0.25505619229094 15.999 > 24 95 O 0.37766750374124 0.99801241039730 0.25505619229094 15.999 > 24 96 O 0.87766750374124 0.99801241039730 0.25505619229094 15.999 > 24 97 O 0.12233249625876 0.24801241039730 0.24494380770906 15.999 > 25 98 O 0.62233249625876 0.24801241039730 0.24494380770906 15.999 > 25 99 O 0.12233249625876 0.74801241039730 0.24494380770906 15.999 > 25 100 O 0.62233249625876 0.74801241039730 0.24494380770906 15.999 > 25 101 O 0.12233249625876 0.00198758960270 0.74494380770906 15.999 > 26 102 O 0.62233249625876 0.00198758960270 0.74494380770906 15.999 > 26 103 O 0.12233249625876 0.50198758960270 0.74494380770906 15.999 > 26 104 O 0.62233249625876 0.50198758960270 0.74494380770906 15.999 > 26 105 O 0.35991594067548 0.06034776769616 0.96832982450104 15.999 > 27 106 O 0.85991594067548 0.06034776769616 0.96832982450104 15.999 > 27 107 O 0.35991594067548 0.56034776769617 0.96832982450104 15.999 > 27 108 O 0.85991594067548 0.56034776769617 0.96832982450104 15.999 > 27 109 O 0.09903124144397 0.19874799218930 0.96282036384010 15.999 > 28 110 O 0.59903124144397 0.19874799218930 0.96282036384010 15.999 > 28 111 O 0.09903124144397 0.69874799218930 0.96282036384010 15.999 > 28 112 O 0.59903124144397 0.69874799218930 0.96282036384010 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6643083 0.0000000 0.1650033 0.0000000 3.7449107 0.0000000 0.1650030 0.0000000 3.8178356 -------------------------- Born effective charges -------------------------- 1 K 1.3310230 0.0927866 -0.0745354 0.0461558 1.0291278 0.1001992 0.0224448 0.1484556 1.1218670 2 K 0.8938492 -0.0082281 -0.0305889 0.0813741 1.2049587 0.0111470 -0.1152383 0.1004407 1.1606726 3 K 0.8938492 0.0082281 -0.0305889 -0.0813741 1.2049587 -0.0111470 -0.1152383 -0.1004407 1.1606726 4 K 1.3310230 -0.0927866 -0.0745354 -0.0461558 1.0291278 -0.1001992 0.0224448 -0.1484556 1.1218670 5 K 1.3310230 -0.0927866 -0.0745354 -0.0461558 1.0291278 -0.1001992 0.0224448 -0.1484556 1.1218670 6 K 0.8938492 -0.0082281 -0.0305889 0.0813741 1.2049587 0.0111470 -0.1152383 0.1004407 1.1606726 7 K 1.3310230 0.0927866 -0.0745354 0.0461558 1.0291278 0.1001992 0.0224448 0.1484556 1.1218670 8 K 0.8938492 0.0082281 -0.0305889 -0.0813741 1.2049587 -0.0111470 -0.1152383 -0.1004407 1.1606726 9 Na 1.1000750 -0.0022382 -0.0161026 0.1731420 1.0958702 -0.0081007 -0.0042095 0.0614790 1.0579698 10 Na 1.1000750 -0.0022382 -0.0161026 0.1731420 1.0958702 -0.0081007 -0.0042095 0.0614790 1.0579698 11 Na 1.1000750 0.0022382 -0.0161026 -0.1731420 1.0958702 0.0081007 -0.0042095 -0.0614790 1.0579698 12 Na 1.1000750 0.0022382 -0.0161026 -0.1731420 1.0958702 0.0081007 -0.0042095 -0.0614790 1.0579698 13 Tl 2.1212839 0.5978977 0.4502729 0.4390267 2.4517559 -0.0998384 0.4474391 -0.0452028 2.5712435 14 Tl 2.1212839 -0.5978977 0.4502729 -0.4390267 2.4517559 0.0998384 0.4474391 0.0452028 2.5712435 15 Tl 2.1212839 -0.5978977 0.4502729 -0.4390267 2.4517559 0.0998384 0.4474391 0.0452028 2.5712435 16 Tl 2.1212839 0.5978977 0.4502729 0.4390267 2.4517559 -0.0998384 0.4474391 -0.0452028 2.5712435 17 O -1.5427692 0.0207925 -0.2626464 -0.0142388 -1.6165155 0.1185361 -0.2137961 0.3679085 -2.5010440 18 O -1.7766633 -0.4710540 0.1374603 -0.4696141 -2.3451912 0.2944135 -0.0360153 0.0529933 -1.6113211 19 O -1.7766633 0.4710540 0.1374603 0.4696141 -2.3451912 -0.2944135 -0.0360153 -0.0529933 -1.6113211 20 O -1.7766633 0.4710540 0.1374603 0.4696141 -2.3451912 -0.2944135 -0.0360153 -0.0529933 -1.6113211 21 O -2.1267986 0.1540573 -0.2038599 0.0043076 -1.8200058 0.3427464 -0.1006247 0.3778240 -1.7993877 22 O -2.1267986 0.1540573 -0.2038599 0.0043076 -1.8200058 0.3427464 -0.1006247 0.3778240 -1.7993877 23 O -2.1267986 -0.1540573 -0.2038599 -0.0043076 -1.8200058 -0.3427464 -0.1006247 -0.3778240 -1.7993877 24 O -1.5427692 -0.0207925 -0.2626464 0.0142388 -1.6165155 -0.1185361 -0.2137961 -0.3679085 -2.5010440 25 O -1.5427692 0.0207925 -0.2626464 -0.0142388 -1.6165155 0.1185361 -0.2137961 0.3679085 -2.5010440 26 O -1.5427692 -0.0207925 -0.2626464 0.0142388 -1.6165155 -0.1185361 -0.2137961 -0.3679085 -2.5010440 27 O -1.7766633 -0.4710540 0.1374603 -0.4696141 -2.3451912 0.2944135 -0.0360153 0.0529933 -1.6113211 28 O -2.1267986 -0.1540573 -0.2038599 -0.0043076 -1.8200058 -0.3427464 -0.1006247 -0.3778240 -1.7993877 ---------------------------------------------------------------------------- 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 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) 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: 3 / 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 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, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.242 Solver_block: 200 / 880 - Time: 1.212 Solver_block: 300 / 880 - Time: 1.209 Solver_block: 400 / 880 - Time: 1.215 Solver_block: 500 / 880 - Time: 1.240 Solver_block: 600 / 880 - Time: 1.242 Solver_block: 700 / 880 - Time: 1.221 Solver_block: 800 / 880 - Time: 1.214 Solver_block: 880 / 880 - Time: 1.046 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.050 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 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) 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: 3 / 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 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, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 16:39:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:39:43]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.376291970337657 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961161830000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): 1 K 0.42312483941502 0.83642334023878 0.35642976426829 39.098 2 K 0.06944838269737 0.35892877912991 0.63926961856148 39.098 3 K 0.93055161730263 0.85892877912991 0.86073038143852 39.098 4 K 0.42312483941502 0.66357665976122 0.85642976426829 39.098 5 K 0.57687516058498 0.33642334023878 0.14357023573171 39.098 6 K 0.93055161730263 0.64107122087009 0.36073038143852 39.098 7 K 0.57687516058498 0.16357665976122 0.64357023573171 39.098 8 K 0.06944838269737 0.14107122087009 0.13926961856148 39.098 9 Na 0.63916368880017 0.87620950198470 0.08782194690138 22.990 10 Na 0.36083631119983 0.12379049801530 0.91217805309862 22.990 11 Na 0.36083631119983 0.37620950198470 0.41217805309862 22.990 12 Na 0.63916368880017 0.62379049801530 0.58782194690138 22.990 13 Tl 0.85470410998116 0.37263976981023 0.90846509742717 204.383 14 Tl 0.85470410998116 0.12736023018977 0.40846509742717 204.383 15 Tl 0.14529589001884 0.87263976981023 0.59153490257283 204.383 16 Tl 0.14529589001884 0.62736023018977 0.09153490257283 204.383 17 O 0.75533500748249 0.50397517920541 0.75505619229094 15.999 18 O 0.28016811864905 0.87930446460767 0.03167017549896 15.999 19 O 0.28016811864905 0.62069553539233 0.53167017549896 15.999 20 O 0.71983188135095 0.37930446460767 0.46832982450104 15.999 21 O 0.19806248288794 0.10250401562139 0.46282036384010 15.999 22 O 0.80193751711206 0.89749598437861 0.53717963615990 15.999 23 O 0.80193751711206 0.60250401562139 0.03717963615990 15.999 24 O 0.75533500748249 0.99602482079459 0.25505619229094 15.999 25 O 0.24466499251751 0.49602482079459 0.24494380770906 15.999 26 O 0.24466499251751 0.00397517920541 0.74494380770906 15.999 27 O 0.71983188135095 0.12069553539233 0.96832982450104 15.999 28 O 0.19806248288794 0.39749598437861 0.96282036384010 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.752583940675313 0.000000000000000 0.000000000000000 b 0.000000000000000 13.922323660000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): 1 K 0.21156241970751 0.41821167011939 0.35642976426829 39.098 > 1 2 K 0.71156241970751 0.41821167011939 0.35642976426829 39.098 > 1 3 K 0.21156241970751 0.91821167011939 0.35642976426829 39.098 > 1 4 K 0.71156241970751 0.91821167011939 0.35642976426829 39.098 > 1 5 K 0.03472419134869 0.17946438956495 0.63926961856148 39.098 > 5 6 K 0.53472419134869 0.17946438956495 0.63926961856148 39.098 > 5 7 K 0.03472419134869 0.67946438956495 0.63926961856148 39.098 > 5 8 K 0.53472419134869 0.67946438956495 0.63926961856148 39.098 > 5 9 K 0.46527580865131 0.42946438956495 0.86073038143852 39.098 > 9 10 K 0.96527580865131 0.42946438956495 0.86073038143852 39.098 > 9 11 K 0.46527580865131 0.92946438956495 0.86073038143852 39.098 > 9 12 K 0.96527580865131 0.92946438956495 0.86073038143852 39.098 > 9 13 K 0.21156241970751 0.33178832988061 0.85642976426829 39.098 > 13 14 K 0.71156241970751 0.33178832988061 0.85642976426829 39.098 > 13 15 K 0.21156241970751 0.83178832988061 0.85642976426829 39.098 > 13 16 K 0.71156241970751 0.83178832988061 0.85642976426829 39.098 > 13 17 K 0.28843758029249 0.16821167011939 0.14357023573171 39.098 > 17 18 K 0.78843758029249 0.16821167011939 0.14357023573171 39.098 > 17 19 K 0.28843758029249 0.66821167011939 0.14357023573171 39.098 > 17 20 K 0.78843758029249 0.66821167011939 0.14357023573171 39.098 > 17 21 K 0.46527580865131 0.32053561043505 0.36073038143852 39.098 > 21 22 K 0.96527580865131 0.32053561043505 0.36073038143852 39.098 > 21 23 K 0.46527580865131 0.82053561043505 0.36073038143852 39.098 > 21 24 K 0.96527580865131 0.82053561043505 0.36073038143852 39.098 > 21 25 K 0.28843758029249 0.08178832988061 0.64357023573171 39.098 > 25 26 K 0.78843758029249 0.08178832988061 0.64357023573171 39.098 > 25 27 K 0.28843758029249 0.58178832988061 0.64357023573171 39.098 > 25 28 K 0.78843758029249 0.58178832988061 0.64357023573171 39.098 > 25 29 K 0.03472419134869 0.07053561043505 0.13926961856148 39.098 > 29 30 K 0.53472419134869 0.07053561043505 0.13926961856148 39.098 > 29 31 K 0.03472419134869 0.57053561043505 0.13926961856148 39.098 > 29 32 K 0.53472419134869 0.57053561043505 0.13926961856148 39.098 > 29 33 Na 0.31958184440009 0.43810475099235 0.08782194690138 22.990 > 33 34 Na 0.81958184440009 0.43810475099235 0.08782194690138 22.990 > 33 35 Na 0.31958184440009 0.93810475099235 0.08782194690138 22.990 > 33 36 Na 0.81958184440009 0.93810475099235 0.08782194690138 22.990 > 33 37 Na 0.18041815559992 0.06189524900765 0.91217805309862 22.990 > 37 38 Na 0.68041815559992 0.06189524900765 0.91217805309862 22.990 > 37 39 Na 0.18041815559992 0.56189524900765 0.91217805309862 22.990 > 37 40 Na 0.68041815559992 0.56189524900765 0.91217805309862 22.990 > 37 41 Na 0.18041815559992 0.18810475099235 0.41217805309862 22.990 > 41 42 Na 0.68041815559992 0.18810475099235 0.41217805309862 22.990 > 41 43 Na 0.18041815559992 0.68810475099235 0.41217805309862 22.990 > 41 44 Na 0.68041815559992 0.68810475099235 0.41217805309862 22.990 > 41 45 Na 0.31958184440009 0.31189524900765 0.58782194690138 22.990 > 45 46 Na 0.81958184440009 0.31189524900765 0.58782194690138 22.990 > 45 47 Na 0.31958184440009 0.81189524900765 0.58782194690138 22.990 > 45 48 Na 0.81958184440009 0.81189524900765 0.58782194690138 22.990 > 45 49 Tl 0.42735205499058 0.18631988490512 0.90846509742717 204.383 > 49 50 Tl 0.92735205499058 0.18631988490512 0.90846509742717 204.383 > 49 51 Tl 0.42735205499058 0.68631988490511 0.90846509742717 204.383 > 49 52 Tl 0.92735205499058 0.68631988490511 0.90846509742717 204.383 > 49 53 Tl 0.42735205499058 0.06368011509488 0.40846509742717 204.383 > 53 54 Tl 0.92735205499058 0.06368011509488 0.40846509742717 204.383 > 53 55 Tl 0.42735205499058 0.56368011509489 0.40846509742717 204.383 > 53 56 Tl 0.92735205499058 0.56368011509489 0.40846509742717 204.383 > 53 57 Tl 0.07264794500942 0.43631988490511 0.59153490257283 204.383 > 57 58 Tl 0.57264794500942 0.43631988490511 0.59153490257283 204.383 > 57 59 Tl 0.07264794500942 0.93631988490511 0.59153490257283 204.383 > 57 60 Tl 0.57264794500942 0.93631988490511 0.59153490257283 204.383 > 57 61 Tl 0.07264794500942 0.31368011509489 0.09153490257283 204.383 > 61 62 Tl 0.57264794500942 0.31368011509489 0.09153490257283 204.383 > 61 63 Tl 0.07264794500942 0.81368011509489 0.09153490257283 204.383 > 61 64 Tl 0.57264794500942 0.81368011509489 0.09153490257283 204.383 > 61 65 O 0.37766750374124 0.25198758960270 0.75505619229094 15.999 > 65 66 O 0.87766750374124 0.25198758960270 0.75505619229094 15.999 > 65 67 O 0.37766750374124 0.75198758960270 0.75505619229094 15.999 > 65 68 O 0.87766750374124 0.75198758960270 0.75505619229094 15.999 > 65 69 O 0.14008405932452 0.43965223230383 0.03167017549896 15.999 > 69 70 O 0.64008405932452 0.43965223230383 0.03167017549896 15.999 > 69 71 O 0.14008405932452 0.93965223230383 0.03167017549896 15.999 > 69 72 O 0.64008405932452 0.93965223230383 0.03167017549896 15.999 > 69 73 O 0.14008405932452 0.31034776769617 0.53167017549896 15.999 > 73 74 O 0.64008405932452 0.31034776769617 0.53167017549896 15.999 > 73 75 O 0.14008405932452 0.81034776769617 0.53167017549896 15.999 > 73 76 O 0.64008405932452 0.81034776769617 0.53167017549896 15.999 > 73 77 O 0.35991594067548 0.18965223230383 0.46832982450104 15.999 > 77 78 O 0.85991594067548 0.18965223230383 0.46832982450104 15.999 > 77 79 O 0.35991594067548 0.68965223230383 0.46832982450104 15.999 > 77 80 O 0.85991594067548 0.68965223230383 0.46832982450104 15.999 > 77 81 O 0.09903124144397 0.05125200781070 0.46282036384010 15.999 > 81 82 O 0.59903124144397 0.05125200781070 0.46282036384010 15.999 > 81 83 O 0.09903124144397 0.55125200781070 0.46282036384010 15.999 > 81 84 O 0.59903124144397 0.55125200781070 0.46282036384010 15.999 > 81 85 O 0.40096875855603 0.44874799218930 0.53717963615990 15.999 > 85 86 O 0.90096875855603 0.44874799218930 0.53717963615990 15.999 > 85 87 O 0.40096875855603 0.94874799218930 0.53717963615990 15.999 > 85 88 O 0.90096875855603 0.94874799218930 0.53717963615990 15.999 > 85 89 O 0.40096875855603 0.30125200781070 0.03717963615990 15.999 > 89 90 O 0.90096875855603 0.30125200781070 0.03717963615990 15.999 > 89 91 O 0.40096875855603 0.80125200781070 0.03717963615990 15.999 > 89 92 O 0.90096875855603 0.80125200781070 0.03717963615990 15.999 > 89 93 O 0.37766750374124 0.49801241039730 0.25505619229094 15.999 > 93 94 O 0.87766750374124 0.49801241039730 0.25505619229094 15.999 > 93 95 O 0.37766750374124 0.99801241039730 0.25505619229094 15.999 > 93 96 O 0.87766750374124 0.99801241039730 0.25505619229094 15.999 > 93 97 O 0.12233249625876 0.24801241039730 0.24494380770906 15.999 > 97 98 O 0.62233249625876 0.24801241039730 0.24494380770906 15.999 > 97 99 O 0.12233249625876 0.74801241039730 0.24494380770906 15.999 > 97 100 O 0.62233249625876 0.74801241039730 0.24494380770906 15.999 > 97 101 O 0.12233249625876 0.00198758960270 0.74494380770906 15.999 > 101 102 O 0.62233249625876 0.00198758960270 0.74494380770906 15.999 > 101 103 O 0.12233249625876 0.50198758960270 0.74494380770906 15.999 > 101 104 O 0.62233249625876 0.50198758960270 0.74494380770906 15.999 > 101 105 O 0.35991594067548 0.06034776769616 0.96832982450104 15.999 > 105 106 O 0.85991594067548 0.06034776769616 0.96832982450104 15.999 > 105 107 O 0.35991594067548 0.56034776769617 0.96832982450104 15.999 > 105 108 O 0.85991594067548 0.56034776769617 0.96832982450104 15.999 > 105 109 O 0.09903124144397 0.19874799218930 0.96282036384010 15.999 > 109 110 O 0.59903124144397 0.19874799218930 0.96282036384010 15.999 > 109 111 O 0.09903124144397 0.69874799218930 0.96282036384010 15.999 > 109 112 O 0.59903124144397 0.69874799218930 0.96282036384010 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6643083 0.0000000 0.1650033 0.0000000 3.7449107 0.0000000 0.1650030 0.0000000 3.8178356 -------------------------- Born effective charges -------------------------- 1 K 1.3310230 0.0927866 -0.0745354 0.0461558 1.0291278 0.1001992 0.0224448 0.1484556 1.1218670 2 K 0.8938492 -0.0082281 -0.0305889 0.0813741 1.2049587 0.0111470 -0.1152383 0.1004407 1.1606726 3 K 0.8938492 0.0082281 -0.0305889 -0.0813741 1.2049587 -0.0111470 -0.1152383 -0.1004407 1.1606726 4 K 1.3310230 -0.0927866 -0.0745354 -0.0461558 1.0291278 -0.1001992 0.0224448 -0.1484556 1.1218670 5 K 1.3310230 -0.0927866 -0.0745354 -0.0461558 1.0291278 -0.1001992 0.0224448 -0.1484556 1.1218670 6 K 0.8938492 -0.0082281 -0.0305889 0.0813741 1.2049587 0.0111470 -0.1152383 0.1004407 1.1606726 7 K 1.3310230 0.0927866 -0.0745354 0.0461558 1.0291278 0.1001992 0.0224448 0.1484556 1.1218670 8 K 0.8938492 0.0082281 -0.0305889 -0.0813741 1.2049587 -0.0111470 -0.1152383 -0.1004407 1.1606726 9 Na 1.1000750 -0.0022382 -0.0161026 0.1731420 1.0958702 -0.0081007 -0.0042095 0.0614790 1.0579698 10 Na 1.1000750 -0.0022382 -0.0161026 0.1731420 1.0958702 -0.0081007 -0.0042095 0.0614790 1.0579698 11 Na 1.1000750 0.0022382 -0.0161026 -0.1731420 1.0958702 0.0081007 -0.0042095 -0.0614790 1.0579698 12 Na 1.1000750 0.0022382 -0.0161026 -0.1731420 1.0958702 0.0081007 -0.0042095 -0.0614790 1.0579698 13 Tl 2.1212839 0.5978977 0.4502729 0.4390267 2.4517559 -0.0998384 0.4474391 -0.0452028 2.5712435 14 Tl 2.1212839 -0.5978977 0.4502729 -0.4390267 2.4517559 0.0998384 0.4474391 0.0452028 2.5712435 15 Tl 2.1212839 -0.5978977 0.4502729 -0.4390267 2.4517559 0.0998384 0.4474391 0.0452028 2.5712435 16 Tl 2.1212839 0.5978977 0.4502729 0.4390267 2.4517559 -0.0998384 0.4474391 -0.0452028 2.5712435 17 O -1.5427692 0.0207925 -0.2626464 -0.0142388 -1.6165155 0.1185361 -0.2137961 0.3679085 -2.5010440 18 O -1.7766633 -0.4710540 0.1374603 -0.4696141 -2.3451912 0.2944135 -0.0360153 0.0529933 -1.6113211 19 O -1.7766633 0.4710540 0.1374603 0.4696141 -2.3451912 -0.2944135 -0.0360153 -0.0529933 -1.6113211 20 O -1.7766633 0.4710540 0.1374603 0.4696141 -2.3451912 -0.2944135 -0.0360153 -0.0529933 -1.6113211 21 O -2.1267986 0.1540573 -0.2038599 0.0043076 -1.8200058 0.3427464 -0.1006247 0.3778240 -1.7993877 22 O -2.1267986 0.1540573 -0.2038599 0.0043076 -1.8200058 0.3427464 -0.1006247 0.3778240 -1.7993877 23 O -2.1267986 -0.1540573 -0.2038599 -0.0043076 -1.8200058 -0.3427464 -0.1006247 -0.3778240 -1.7993877 24 O -1.5427692 -0.0207925 -0.2626464 0.0142388 -1.6165155 -0.1185361 -0.2137961 -0.3679085 -2.5010440 25 O -1.5427692 0.0207925 -0.2626464 -0.0142388 -1.6165155 0.1185361 -0.2137961 0.3679085 -2.5010440 26 O -1.5427692 -0.0207925 -0.2626464 0.0142388 -1.6165155 -0.1185361 -0.2137961 -0.3679085 -2.5010440 27 O -1.7766633 -0.4710540 0.1374603 -0.4696141 -2.3451912 0.2944135 -0.0360153 0.0529933 -1.6113211 28 O -2.1267986 -0.1540573 -0.2038599 -0.0043076 -1.8200058 -0.3427464 -0.1006247 -0.3778240 -1.7993877 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] Computing fc3[ 5, 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] Computing fc3[ 69, 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 16:40:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:40:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.376291970337657 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961161830000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): 1 K 0.42312483941502 0.83642334023878 0.35642976426829 39.098 2 K 0.06944838269737 0.35892877912991 0.63926961856148 39.098 3 K 0.93055161730263 0.85892877912991 0.86073038143852 39.098 4 K 0.42312483941502 0.66357665976122 0.85642976426829 39.098 5 K 0.57687516058498 0.33642334023878 0.14357023573171 39.098 6 K 0.93055161730263 0.64107122087009 0.36073038143852 39.098 7 K 0.57687516058498 0.16357665976122 0.64357023573171 39.098 8 K 0.06944838269737 0.14107122087009 0.13926961856148 39.098 9 Na 0.63916368880017 0.87620950198470 0.08782194690138 22.990 10 Na 0.36083631119983 0.12379049801530 0.91217805309862 22.990 11 Na 0.36083631119983 0.37620950198470 0.41217805309862 22.990 12 Na 0.63916368880017 0.62379049801530 0.58782194690138 22.990 13 Tl 0.85470410998116 0.37263976981023 0.90846509742717 204.383 14 Tl 0.85470410998116 0.12736023018977 0.40846509742717 204.383 15 Tl 0.14529589001884 0.87263976981023 0.59153490257283 204.383 16 Tl 0.14529589001884 0.62736023018977 0.09153490257283 204.383 17 O 0.75533500748249 0.50397517920541 0.75505619229094 15.999 18 O 0.28016811864905 0.87930446460767 0.03167017549896 15.999 19 O 0.28016811864905 0.62069553539233 0.53167017549896 15.999 20 O 0.71983188135095 0.37930446460767 0.46832982450104 15.999 21 O 0.19806248288794 0.10250401562139 0.46282036384010 15.999 22 O 0.80193751711206 0.89749598437861 0.53717963615990 15.999 23 O 0.80193751711206 0.60250401562139 0.03717963615990 15.999 24 O 0.75533500748249 0.99602482079459 0.25505619229094 15.999 25 O 0.24466499251751 0.49602482079459 0.24494380770906 15.999 26 O 0.24466499251751 0.00397517920541 0.74494380770906 15.999 27 O 0.71983188135095 0.12069553539233 0.96832982450104 15.999 28 O 0.19806248288794 0.39749598437861 0.96282036384010 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.752583940675313 0.000000000000000 0.000000000000000 b 0.000000000000000 13.922323660000000 0.000000000000000 c -1.222204495669246 0.000000000000000 11.972736368643204 Atomic positions (fractional): 1 K 0.21156241970751 0.41821167011939 0.35642976426829 39.098 > 1 2 K 0.71156241970751 0.41821167011939 0.35642976426829 39.098 > 1 3 K 0.21156241970751 0.91821167011939 0.35642976426829 39.098 > 1 4 K 0.71156241970751 0.91821167011939 0.35642976426829 39.098 > 1 5 K 0.03472419134869 0.17946438956495 0.63926961856148 39.098 > 5 6 K 0.53472419134869 0.17946438956495 0.63926961856148 39.098 > 5 7 K 0.03472419134869 0.67946438956495 0.63926961856148 39.098 > 5 8 K 0.53472419134869 0.67946438956495 0.63926961856148 39.098 > 5 9 K 0.46527580865131 0.42946438956495 0.86073038143852 39.098 > 9 10 K 0.96527580865131 0.42946438956495 0.86073038143852 39.098 > 9 11 K 0.46527580865131 0.92946438956495 0.86073038143852 39.098 > 9 12 K 0.96527580865131 0.92946438956495 0.86073038143852 39.098 > 9 13 K 0.21156241970751 0.33178832988061 0.85642976426829 39.098 > 13 14 K 0.71156241970751 0.33178832988061 0.85642976426829 39.098 > 13 15 K 0.21156241970751 0.83178832988061 0.85642976426829 39.098 > 13 16 K 0.71156241970751 0.83178832988061 0.85642976426829 39.098 > 13 17 K 0.28843758029249 0.16821167011939 0.14357023573171 39.098 > 17 18 K 0.78843758029249 0.16821167011939 0.14357023573171 39.098 > 17 19 K 0.28843758029249 0.66821167011939 0.14357023573171 39.098 > 17 20 K 0.78843758029249 0.66821167011939 0.14357023573171 39.098 > 17 21 K 0.46527580865131 0.32053561043505 0.36073038143852 39.098 > 21 22 K 0.96527580865131 0.32053561043505 0.36073038143852 39.098 > 21 23 K 0.46527580865131 0.82053561043505 0.36073038143852 39.098 > 21 24 K 0.96527580865131 0.82053561043505 0.36073038143852 39.098 > 21 25 K 0.28843758029249 0.08178832988061 0.64357023573171 39.098 > 25 26 K 0.78843758029249 0.08178832988061 0.64357023573171 39.098 > 25 27 K 0.28843758029249 0.58178832988061 0.64357023573171 39.098 > 25 28 K 0.78843758029249 0.58178832988061 0.64357023573171 39.098 > 25 29 K 0.03472419134869 0.07053561043505 0.13926961856148 39.098 > 29 30 K 0.53472419134869 0.07053561043505 0.13926961856148 39.098 > 29 31 K 0.03472419134869 0.57053561043505 0.13926961856148 39.098 > 29 32 K 0.53472419134869 0.57053561043505 0.13926961856148 39.098 > 29 33 Na 0.31958184440009 0.43810475099235 0.08782194690138 22.990 > 33 34 Na 0.81958184440009 0.43810475099235 0.08782194690138 22.990 > 33 35 Na 0.31958184440009 0.93810475099235 0.08782194690138 22.990 > 33 36 Na 0.81958184440009 0.93810475099235 0.08782194690138 22.990 > 33 37 Na 0.18041815559992 0.06189524900765 0.91217805309862 22.990 > 37 38 Na 0.68041815559992 0.06189524900765 0.91217805309862 22.990 > 37 39 Na 0.18041815559992 0.56189524900765 0.91217805309862 22.990 > 37 40 Na 0.68041815559992 0.56189524900765 0.91217805309862 22.990 > 37 41 Na 0.18041815559992 0.18810475099235 0.41217805309862 22.990 > 41 42 Na 0.68041815559992 0.18810475099235 0.41217805309862 22.990 > 41 43 Na 0.18041815559992 0.68810475099235 0.41217805309862 22.990 > 41 44 Na 0.68041815559992 0.68810475099235 0.41217805309862 22.990 > 41 45 Na 0.31958184440009 0.31189524900765 0.58782194690138 22.990 > 45 46 Na 0.81958184440009 0.31189524900765 0.58782194690138 22.990 > 45 47 Na 0.31958184440009 0.81189524900765 0.58782194690138 22.990 > 45 48 Na 0.81958184440009 0.81189524900765 0.58782194690138 22.990 > 45 49 Tl 0.42735205499058 0.18631988490512 0.90846509742717 204.383 > 49 50 Tl 0.92735205499058 0.18631988490512 0.90846509742717 204.383 > 49 51 Tl 0.42735205499058 0.68631988490511 0.90846509742717 204.383 > 49 52 Tl 0.92735205499058 0.68631988490511 0.90846509742717 204.383 > 49 53 Tl 0.42735205499058 0.06368011509488 0.40846509742717 204.383 > 53 54 Tl 0.92735205499058 0.06368011509488 0.40846509742717 204.383 > 53 55 Tl 0.42735205499058 0.56368011509489 0.40846509742717 204.383 > 53 56 Tl 0.92735205499058 0.56368011509489 0.40846509742717 204.383 > 53 57 Tl 0.07264794500942 0.43631988490511 0.59153490257283 204.383 > 57 58 Tl 0.57264794500942 0.43631988490511 0.59153490257283 204.383 > 57 59 Tl 0.07264794500942 0.93631988490511 0.59153490257283 204.383 > 57 60 Tl 0.57264794500942 0.93631988490511 0.59153490257283 204.383 > 57 61 Tl 0.07264794500942 0.31368011509489 0.09153490257283 204.383 > 61 62 Tl 0.57264794500942 0.31368011509489 0.09153490257283 204.383 > 61 63 Tl 0.07264794500942 0.81368011509489 0.09153490257283 204.383 > 61 64 Tl 0.57264794500942 0.81368011509489 0.09153490257283 204.383 > 61 65 O 0.37766750374124 0.25198758960270 0.75505619229094 15.999 > 65 66 O 0.87766750374124 0.25198758960270 0.75505619229094 15.999 > 65 67 O 0.37766750374124 0.75198758960270 0.75505619229094 15.999 > 65 68 O 0.87766750374124 0.75198758960270 0.75505619229094 15.999 > 65 69 O 0.14008405932452 0.43965223230383 0.03167017549896 15.999 > 69 70 O 0.64008405932452 0.43965223230383 0.03167017549896 15.999 > 69 71 O 0.14008405932452 0.93965223230383 0.03167017549896 15.999 > 69 72 O 0.64008405932452 0.93965223230383 0.03167017549896 15.999 > 69 73 O 0.14008405932452 0.31034776769617 0.53167017549896 15.999 > 73 74 O 0.64008405932452 0.31034776769617 0.53167017549896 15.999 > 73 75 O 0.14008405932452 0.81034776769617 0.53167017549896 15.999 > 73 76 O 0.64008405932452 0.81034776769617 0.53167017549896 15.999 > 73 77 O 0.35991594067548 0.18965223230383 0.46832982450104 15.999 > 77 78 O 0.85991594067548 0.18965223230383 0.46832982450104 15.999 > 77 79 O 0.35991594067548 0.68965223230383 0.46832982450104 15.999 > 77 80 O 0.85991594067548 0.68965223230383 0.46832982450104 15.999 > 77 81 O 0.09903124144397 0.05125200781070 0.46282036384010 15.999 > 81 82 O 0.59903124144397 0.05125200781070 0.46282036384010 15.999 > 81 83 O 0.09903124144397 0.55125200781070 0.46282036384010 15.999 > 81 84 O 0.59903124144397 0.55125200781070 0.46282036384010 15.999 > 81 85 O 0.40096875855603 0.44874799218930 0.53717963615990 15.999 > 85 86 O 0.90096875855603 0.44874799218930 0.53717963615990 15.999 > 85 87 O 0.40096875855603 0.94874799218930 0.53717963615990 15.999 > 85 88 O 0.90096875855603 0.94874799218930 0.53717963615990 15.999 > 85 89 O 0.40096875855603 0.30125200781070 0.03717963615990 15.999 > 89 90 O 0.90096875855603 0.30125200781070 0.03717963615990 15.999 > 89 91 O 0.40096875855603 0.80125200781070 0.03717963615990 15.999 > 89 92 O 0.90096875855603 0.80125200781070 0.03717963615990 15.999 > 89 93 O 0.37766750374124 0.49801241039730 0.25505619229094 15.999 > 93 94 O 0.87766750374124 0.49801241039730 0.25505619229094 15.999 > 93 95 O 0.37766750374124 0.99801241039730 0.25505619229094 15.999 > 93 96 O 0.87766750374124 0.99801241039730 0.25505619229094 15.999 > 93 97 O 0.12233249625876 0.24801241039730 0.24494380770906 15.999 > 97 98 O 0.62233249625876 0.24801241039730 0.24494380770906 15.999 > 97 99 O 0.12233249625876 0.74801241039730 0.24494380770906 15.999 > 97 100 O 0.62233249625876 0.74801241039730 0.24494380770906 15.999 > 97 101 O 0.12233249625876 0.00198758960270 0.74494380770906 15.999 > 101 102 O 0.62233249625876 0.00198758960270 0.74494380770906 15.999 > 101 103 O 0.12233249625876 0.50198758960270 0.74494380770906 15.999 > 101 104 O 0.62233249625876 0.50198758960270 0.74494380770906 15.999 > 101 105 O 0.35991594067548 0.06034776769616 0.96832982450104 15.999 > 105 106 O 0.85991594067548 0.06034776769616 0.96832982450104 15.999 > 105 107 O 0.35991594067548 0.56034776769617 0.96832982450104 15.999 > 105 108 O 0.85991594067548 0.56034776769617 0.96832982450104 15.999 > 105 109 O 0.09903124144397 0.19874799218930 0.96282036384010 15.999 > 109 110 O 0.59903124144397 0.19874799218930 0.96282036384010 15.999 > 109 111 O 0.09903124144397 0.69874799218930 0.96282036384010 15.999 > 109 112 O 0.59903124144397 0.69874799218930 0.96282036384010 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6643083 0.0000000 0.1650033 0.0000000 3.7449107 0.0000000 0.1650030 0.0000000 3.8178356 -------------------------- Born effective charges -------------------------- 1 K 1.3310230 0.0927866 -0.0745354 0.0461558 1.0291278 0.1001992 0.0224448 0.1484556 1.1218670 2 K 0.8938492 -0.0082281 -0.0305889 0.0813741 1.2049587 0.0111470 -0.1152383 0.1004407 1.1606726 3 K 0.8938492 0.0082281 -0.0305889 -0.0813741 1.2049587 -0.0111470 -0.1152383 -0.1004407 1.1606726 4 K 1.3310230 -0.0927866 -0.0745354 -0.0461558 1.0291278 -0.1001992 0.0224448 -0.1484556 1.1218670 5 K 1.3310230 -0.0927866 -0.0745354 -0.0461558 1.0291278 -0.1001992 0.0224448 -0.1484556 1.1218670 6 K 0.8938492 -0.0082281 -0.0305889 0.0813741 1.2049587 0.0111470 -0.1152383 0.1004407 1.1606726 7 K 1.3310230 0.0927866 -0.0745354 0.0461558 1.0291278 0.1001992 0.0224448 0.1484556 1.1218670 8 K 0.8938492 0.0082281 -0.0305889 -0.0813741 1.2049587 -0.0111470 -0.1152383 -0.1004407 1.1606726 9 Na 1.1000750 -0.0022382 -0.0161026 0.1731420 1.0958702 -0.0081007 -0.0042095 0.0614790 1.0579698 10 Na 1.1000750 -0.0022382 -0.0161026 0.1731420 1.0958702 -0.0081007 -0.0042095 0.0614790 1.0579698 11 Na 1.1000750 0.0022382 -0.0161026 -0.1731420 1.0958702 0.0081007 -0.0042095 -0.0614790 1.0579698 12 Na 1.1000750 0.0022382 -0.0161026 -0.1731420 1.0958702 0.0081007 -0.0042095 -0.0614790 1.0579698 13 Tl 2.1212839 0.5978977 0.4502729 0.4390267 2.4517559 -0.0998384 0.4474391 -0.0452028 2.5712435 14 Tl 2.1212839 -0.5978977 0.4502729 -0.4390267 2.4517559 0.0998384 0.4474391 0.0452028 2.5712435 15 Tl 2.1212839 -0.5978977 0.4502729 -0.4390267 2.4517559 0.0998384 0.4474391 0.0452028 2.5712435 16 Tl 2.1212839 0.5978977 0.4502729 0.4390267 2.4517559 -0.0998384 0.4474391 -0.0452028 2.5712435 17 O -1.5427692 0.0207925 -0.2626464 -0.0142388 -1.6165155 0.1185361 -0.2137961 0.3679085 -2.5010440 18 O -1.7766633 -0.4710540 0.1374603 -0.4696141 -2.3451912 0.2944135 -0.0360153 0.0529933 -1.6113211 19 O -1.7766633 0.4710540 0.1374603 0.4696141 -2.3451912 -0.2944135 -0.0360153 -0.0529933 -1.6113211 20 O -1.7766633 0.4710540 0.1374603 0.4696141 -2.3451912 -0.2944135 -0.0360153 -0.0529933 -1.6113211 21 O -2.1267986 0.1540573 -0.2038599 0.0043076 -1.8200058 0.3427464 -0.1006247 0.3778240 -1.7993877 22 O -2.1267986 0.1540573 -0.2038599 0.0043076 -1.8200058 0.3427464 -0.1006247 0.3778240 -1.7993877 23 O -2.1267986 -0.1540573 -0.2038599 -0.0043076 -1.8200058 -0.3427464 -0.1006247 -0.3778240 -1.7993877 24 O -1.5427692 -0.0207925 -0.2626464 0.0142388 -1.6165155 -0.1185361 -0.2137961 -0.3679085 -2.5010440 25 O -1.5427692 0.0207925 -0.2626464 -0.0142388 -1.6165155 0.1185361 -0.2137961 0.3679085 -2.5010440 26 O -1.5427692 -0.0207925 -0.2626464 0.0142388 -1.6165155 -0.1185361 -0.2137961 -0.3679085 -2.5010440 27 O -1.7766633 -0.4710540 0.1374603 -0.4696141 -2.3451912 0.2944135 -0.0360153 0.0529933 -1.6113211 28 O -2.1267986 -0.1540573 -0.2038599 -0.0043076 -1.8200058 -0.3427464 -0.1006247 -0.3778240 -1.7993877 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 8 7 4 ] 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: 0.51, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.464 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 11.042 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.937 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.814 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 16.095 0.000 15.629) 22.435 0.410 ( 20.252 0.000 -0.644) 20.262 0.610 ( 30.121 0.000 -10.423) 31.873 1.173 ( 3.381 0.000 5.163) 6.171 1.256 ( 3.541 0.000 0.263) 3.551 1.328 ( 3.725 0.000 0.839) 3.819 1.496 ( 2.662 0.000 1.138) 2.895 1.644 ( 3.246 0.000 5.705) 6.564 1.907 ( -2.952 0.000 2.145) 3.649 1.994 ( -5.123 0.000 -1.241) 5.271 2.204 ( -4.938 0.000 1.181) 5.078 2.294 ( -3.601 0.000 1.374) 3.854 2.453 ( 0.371 0.000 -3.082) 3.104 2.469 ( -3.356 0.000 1.825) 3.820 2.584 ( 3.062 0.000 -1.477) 3.399 2.745 ( -1.291 0.000 1.929) 2.321 2.854 ( 2.320 0.000 -1.225) 2.624 2.905 ( 1.221 0.000 1.514) 1.945 2.975 ( -2.507 0.000 -3.646) 4.425 3.041 ( -8.135 0.000 -4.267) 9.186 3.071 ( -1.320 0.000 1.878) 2.296 3.150 ( -1.431 0.000 4.849) 5.056 3.171 ( 2.422 0.000 0.897) 2.583 3.204 ( -1.969 0.000 4.293) 4.722 3.374 ( -6.749 0.000 0.737) 6.789 3.493 ( 1.206 0.000 3.954) 4.134 3.622 ( 3.801 0.000 -4.805) 6.127 3.629 ( -1.804 0.000 -1.666) 2.456 3.664 ( -1.369 0.000 -4.399) 4.607 3.922 ( -4.991 0.000 3.074) 5.861 3.962 ( -5.003 0.000 -2.609) 5.642 3.984 ( -7.740 0.000 14.112) 16.096 4.039 ( -3.638 0.000 -1.954) 4.130 4.093 ( -4.964 0.000 -1.539) 5.197 4.115 ( -1.932 0.000 2.481) 3.144 4.221 ( -3.468 0.000 22.090) 22.360 4.397 ( 0.247 0.000 0.106) 0.269 4.514 ( 1.587 0.000 -3.093) 3.477 4.574 ( 1.222 0.000 -0.246) 1.246 4.712 ( 4.952 0.000 -5.303) 7.255 4.825 ( 4.743 0.000 4.673) 6.658 4.964 ( 5.505 0.000 4.626) 7.191 5.101 ( -3.355 0.000 0.972) 3.493 5.190 ( 3.354 0.000 -0.118) 3.356 5.414 ( -1.873 0.000 1.367) 2.319 5.584 ( -1.666 0.000 -5.135) 5.398 5.650 ( -1.845 0.000 -1.252) 2.229 5.811 ( 1.395 0.000 7.927) 8.049 5.921 ( -5.715 0.000 -2.779) 6.355 6.074 ( -1.916 0.000 0.503) 1.981 6.138 ( -4.418 0.000 2.670) 5.162 6.174 ( 6.203 0.000 -6.808) 9.210 6.231 ( 2.072 0.000 6.654) 6.969 6.527 ( 1.656 0.000 -32.184) 32.227 6.535 ( 7.019 0.000 -4.766) 8.484 6.631 ( -0.816 0.000 2.684) 2.805 6.817 ( 1.040 0.000 -1.176) 1.570 6.878 ( -5.977 0.000 1.086) 6.075 7.007 ( 0.297 0.000 2.906) 2.921 7.038 ( -0.103 0.000 -3.814) 3.815 7.144 ( 1.318 0.000 3.763) 3.988 7.211 ( 6.089 0.000 0.857) 6.149 7.916 ( -6.145 0.000 1.458) 6.316 7.998 ( 6.829 0.000 1.855) 7.077 8.176 ( 1.798 0.000 4.977) 5.292 8.430 ( 7.879 0.000 -3.574) 8.651 8.726 ( -4.442 0.000 -0.831) 4.519 8.954 ( 2.217 0.000 -4.915) 5.392 10.486 ( -7.145 0.000 -0.626) 7.172 10.577 ( -0.344 0.000 1.119) 1.171 11.211 ( 14.202 0.000 -2.226) 14.376 11.352 ( -2.596 0.000 19.435) 19.607 11.836 ( -3.180 0.000 0.501) 3.219 12.590 ( -0.303 0.000 -4.377) 4.387 12.669 ( 1.127 0.000 -0.280) 1.161 12.698 ( 1.243 0.000 8.794) 8.881 14.658 ( 3.152 0.000 -33.664) 33.811 14.939 ( 0.205 0.000 -0.276) 0.344 14.947 ( -1.556 0.000 2.068) 2.588 15.511 ( -1.045 0.000 -3.624) 3.772 15.921 ( 1.782 0.000 3.956) 4.339 16.166 ( -0.277 0.000 -1.687) 1.709 16.198 ( -3.712 0.000 33.011) 33.219 16.756 ( -5.528 0.000 -1.361) 5.693 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 15.205 0.000 14.522) 21.025 0.773 ( 16.302 0.000 -0.880) 16.326 1.091 ( 19.697 0.000 -8.991) 21.652 1.255 ( 3.479 0.000 5.465) 6.478 1.348 ( 5.336 0.000 3.856) 6.584 1.421 ( 4.221 0.000 2.770) 5.049 1.561 ( 4.365 0.000 -0.017) 4.365 1.721 ( 2.247 0.000 5.660) 6.089 1.861 ( -1.537 0.000 2.295) 2.762 1.925 ( -0.807 0.000 -1.511) 1.713 2.093 ( -5.986 0.000 2.905) 6.654 2.182 ( -6.852 0.000 -4.565) 8.233 2.399 ( -5.336 0.000 2.936) 6.090 2.413 ( -3.824 0.000 -4.395) 5.826 2.626 ( 1.257 0.000 -3.189) 3.428 2.729 ( -0.989 0.000 -0.177) 1.005 2.842 ( -9.180 0.000 -5.375) 10.638 2.877 ( 0.819 0.000 -0.284) 0.867 2.883 ( -3.318 0.000 -1.820) 3.784 2.982 ( 2.026 0.000 1.683) 2.634 3.021 ( -3.145 0.000 0.389) 3.169 3.153 ( 0.250 0.000 5.508) 5.513 3.170 ( -2.251 0.000 2.614) 3.450 3.247 ( -3.814 0.000 0.728) 3.883 3.255 ( 5.849 0.000 -0.384) 5.862 3.502 ( -2.201 0.000 1.459) 2.640 3.518 ( -6.319 0.000 -4.871) 7.978 3.582 ( -0.295 0.000 -2.748) 2.764 3.755 ( 3.372 0.000 -6.262) 7.112 3.801 ( -7.988 0.000 -2.051) 8.247 3.859 ( 0.463 0.000 2.646) 2.686 3.919 ( -2.202 0.000 4.989) 5.454 3.937 ( -5.806 0.000 -1.692) 6.048 4.038 ( -1.630 0.000 -0.319) 1.661 4.075 ( -2.531 0.000 0.847) 2.669 4.207 ( -1.739 0.000 12.927) 13.044 4.402 ( 0.584 0.000 -5.517) 5.548 4.517 ( -4.235 0.000 1.717) 4.570 4.568 ( 3.651 0.000 2.281) 4.305 4.794 ( 3.228 0.000 -9.198) 9.748 4.967 ( 5.830 0.000 4.633) 7.446 4.987 ( -5.245 0.000 5.728) 7.766 5.028 ( -1.965 0.000 -0.100) 1.967 5.256 ( 2.249 0.000 0.990) 2.458 5.363 ( -4.008 0.000 2.050) 4.502 5.552 ( -0.007 0.000 -4.881) 4.881 5.609 ( -1.858 0.000 -0.820) 2.031 5.792 ( -1.675 0.000 -1.417) 2.194 5.890 ( 0.674 0.000 3.243) 3.312 5.999 ( -6.773 0.000 1.683) 6.979 6.097 ( 1.577 0.000 0.253) 1.597 6.261 ( 1.853 0.000 8.469) 8.669 6.342 ( 8.914 0.000 -10.830) 14.027 6.483 ( -6.408 0.000 2.858) 7.017 6.503 ( 1.931 0.000 -12.969) 13.112 6.756 ( 4.089 0.000 -3.387) 5.310 6.804 ( 0.615 0.000 4.010) 4.057 6.840 ( 1.626 0.000 -1.992) 2.571 7.029 ( -0.026 0.000 -4.585) 4.585 7.039 ( 2.102 0.000 3.683) 4.241 7.177 ( 0.970 0.000 4.426) 4.531 7.336 ( 7.317 0.000 0.649) 7.346 7.762 ( -9.988 0.000 5.335) 11.324 8.129 ( 5.541 0.000 -1.958) 5.877 8.223 ( 2.045 0.000 3.153) 3.758 8.602 ( -2.015 0.000 -4.055) 4.528 8.627 ( 5.959 0.000 1.630) 6.178 8.993 ( 2.328 0.000 -3.398) 4.119 10.360 ( -5.068 0.000 -1.634) 5.325 10.573 ( -0.247 0.000 1.555) 1.575 11.337 ( -1.737 0.000 8.506) 8.682 11.480 ( 10.977 0.000 -4.497) 11.862 11.794 ( 0.516 0.000 3.320) 3.360 12.578 ( 0.099 0.000 -4.514) 4.515 12.691 ( 1.043 0.000 -0.594) 1.201 12.744 ( 1.886 0.000 3.859) 4.295 14.652 ( 1.078 0.000 -13.772) 13.814 14.916 ( -1.882 0.000 2.786) 3.362 14.943 ( 0.228 0.000 -0.334) 0.404 15.479 ( -1.249 0.000 -4.396) 4.570 15.978 ( 2.896 0.000 5.596) 6.301 16.156 ( -0.158 0.000 -3.173) 3.177 16.188 ( -2.378 0.000 16.249) 16.422 16.610 ( -8.277 0.000 -2.788) 8.734 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 11.167 0.000 10.227) 15.142 1.022 ( 8.660 0.000 0.617) 8.682 1.336 ( 7.555 0.000 -5.054) 9.089 1.341 ( 4.034 0.000 2.623) 4.812 1.460 ( 5.150 0.000 5.173) 7.300 1.476 ( 2.227 0.000 1.315) 2.586 1.672 ( 4.698 0.000 2.006) 5.108 1.716 ( -3.603 0.000 0.604) 3.654 1.853 ( -0.282 0.000 0.389) 0.480 1.936 ( 0.669 0.000 1.688) 1.816 2.030 ( -6.990 0.000 -6.414) 9.487 2.034 ( 0.897 0.000 1.457) 1.711 2.257 ( -8.032 0.000 2.687) 8.470 2.285 ( -7.911 0.000 -4.284) 8.996 2.632 ( 0.404 0.000 -1.614) 1.664 2.683 ( -2.165 0.000 -4.263) 4.781 2.723 ( -3.266 0.000 -0.005) 3.266 2.803 ( -3.879 0.000 -1.466) 4.146 2.921 ( 3.738 0.000 0.150) 3.741 2.973 ( -1.048 0.000 -1.980) 2.240 2.999 ( -0.725 0.000 2.638) 2.736 3.120 ( -3.120 0.000 0.741) 3.207 3.173 ( 2.201 0.000 5.905) 6.302 3.272 ( 3.183 0.000 0.547) 3.230 3.385 ( 7.055 0.000 -1.685) 7.254 3.398 ( -4.841 0.000 -4.151) 6.377 3.464 ( -0.071 0.000 -0.857) 0.860 3.575 ( -2.420 0.000 0.871) 2.572 3.699 ( -1.219 0.000 -1.402) 1.858 3.749 ( -2.744 0.000 -0.609) 2.810 3.844 ( -2.070 0.000 -2.496) 3.243 3.891 ( -1.727 0.000 2.379) 2.940 3.895 ( 2.119 0.000 -3.192) 3.832 4.028 ( -1.955 0.000 -0.346) 1.985 4.028 ( -0.530 0.000 3.658) 3.696 4.198 ( -1.388 0.000 6.811) 6.951 4.407 ( 1.323 0.000 -5.871) 6.019 4.469 ( 0.101 0.000 -1.052) 1.057 4.614 ( -1.151 0.000 4.060) 4.220 4.791 ( -1.849 0.000 -5.209) 5.527 4.861 ( -5.655 0.000 4.477) 7.213 4.954 ( -1.535 0.000 0.298) 1.564 5.128 ( 5.444 0.000 2.081) 5.828 5.246 ( -2.282 0.000 -0.539) 2.345 5.266 ( -5.206 0.000 -0.086) 5.207 5.575 ( 2.248 0.000 -3.445) 4.114 5.581 ( -0.927 0.000 0.899) 1.291 5.776 ( -0.721 0.000 1.238) 1.433 5.886 ( -4.384 0.000 1.041) 4.506 5.923 ( 2.435 0.000 1.417) 2.817 6.147 ( 2.909 0.000 -0.734) 3.001 6.301 ( 0.516 0.000 10.958) 10.970 6.375 ( -4.802 0.000 3.133) 5.734 6.385 ( -0.595 0.000 -14.990) 15.002 6.656 ( 13.078 0.000 -6.293) 14.513 6.721 ( -2.368 0.000 0.142) 2.372 6.872 ( 2.112 0.000 -4.100) 4.612 6.888 ( 2.892 0.000 0.617) 2.957 7.012 ( -1.333 0.000 -2.682) 2.995 7.081 ( 1.181 0.000 2.078) 2.390 7.192 ( -0.584 0.000 5.835) 5.864 7.516 ( 9.889 0.000 2.716) 10.256 7.565 ( -10.249 0.000 6.246) 12.002 8.167 ( -1.396 0.000 -7.144) 7.279 8.264 ( 1.536 0.000 1.109) 1.895 8.505 ( -2.777 0.000 1.653) 3.232 8.789 ( 5.934 0.000 0.275) 5.940 9.024 ( 1.254 0.000 -1.802) 2.195 10.286 ( -2.142 0.000 -1.404) 2.561 10.574 ( -0.005 0.000 1.080) 1.080 11.322 ( -0.987 0.000 3.646) 3.777 11.554 ( -0.240 0.000 -3.171) 3.180 11.911 ( 7.769 0.000 3.024) 8.337 12.574 ( 0.185 0.000 -2.631) 2.638 12.703 ( 0.292 0.000 -0.635) 0.699 12.781 ( 1.265 0.000 1.390) 1.880 14.647 ( 0.393 0.000 -5.656) 5.670 14.890 ( -1.162 0.000 1.894) 2.222 14.946 ( 0.121 0.000 -0.202) 0.236 15.450 ( -0.795 0.000 -2.782) 2.893 16.052 ( 3.365 0.000 4.947) 5.983 16.151 ( 0.452 0.000 -4.717) 4.738 16.172 ( -1.913 0.000 10.156) 10.334 16.446 ( -7.146 0.000 -3.366) 7.899 ======================= Grid point 4 (5/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 -0.000) 0.000 1.399 ( 0.000 0.000 -0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.563 ( -0.000 0.000 -0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 -0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.132 ( -0.000 0.000 -0.000) 0.000 2.174 ( 0.000 0.000 -0.000) 0.000 2.638 ( 0.000 0.000 -0.000) 0.000 2.664 ( 0.000 0.000 -0.000) 0.000 2.682 ( -0.000 0.000 0.000) 0.000 2.755 ( -0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 -0.000) 0.000 2.993 ( 0.000 0.000 -0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.245 ( -0.000 0.000 -0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 -0.000) 0.000 3.523 ( 0.000 0.000 -0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 -0.000) 0.000 3.820 ( 0.000 0.000 -0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.964 ( -0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 -0.000) 0.000 4.007 ( 0.000 0.000 -0.000) 0.000 4.185 ( 0.000 0.000 -0.000) 0.000 4.427 ( -0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 -0.000) 0.000 4.570 ( 0.000 0.000 -0.000) 0.000 4.749 ( 0.000 0.000 -0.000) 0.000 4.824 ( 0.000 0.000 -0.000) 0.000 4.939 ( 0.000 0.000 -0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.202 ( -0.000 0.000 -0.000) 0.000 5.216 ( 0.000 0.000 -0.000) 0.000 5.574 ( 0.000 0.000 -0.000) 0.000 5.597 ( 0.000 0.000 -0.000) 0.000 5.766 ( 0.000 0.000 -0.000) 0.000 5.842 ( 0.000 0.000 -0.000) 0.000 5.959 ( 0.000 0.000 -0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 -0.000) 0.000 6.335 ( -0.000 0.000 -0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 -0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 -0.000) 0.000 6.915 ( 0.000 0.000 -0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 -0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.281 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 -0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.575 ( 0.000 0.000 -0.000) 0.000 11.315 ( 0.000 0.000 -0.000) 0.000 11.542 ( 0.000 0.000 -0.000) 0.000 12.002 ( 0.000 0.000 -0.000) 0.000 12.574 ( 0.000 0.000 -0.000) 0.000 12.704 ( 0.000 0.000 -0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 -0.000) 0.000 14.947 ( 0.000 0.000 -0.000) 0.000 15.439 ( 0.000 0.000 -0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.155 ( -0.000 0.000 0.000) 0.000 16.158 ( 0.000 0.000 -0.000) 0.000 16.359 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 18.684 0.000) 18.684 0.469 ( 0.000 22.364 0.000) 22.364 0.755 ( 0.000 35.531 0.000) 35.531 1.150 ( 0.000 1.357 0.000) 1.357 1.227 ( 0.000 1.295 0.000) 1.295 1.386 ( 0.000 9.466 0.000) 9.466 1.456 ( 0.000 0.040 0.000) 0.040 1.633 ( 0.000 2.280 0.000) 2.280 2.009 ( 0.000 5.033 0.000) 5.033 2.102 ( 0.000 0.059 0.000) 0.059 2.251 ( 0.000 0.942 0.000) 0.942 2.283 ( 0.000 5.693 0.000) 5.693 2.361 ( 0.000 -7.637 0.000) 7.637 2.490 ( 0.000 -2.970 0.000) 2.970 2.582 ( 0.000 3.928 0.000) 3.928 2.785 ( 0.000 1.426 0.000) 1.426 2.822 ( 0.000 1.146 0.000) 1.146 2.933 ( 0.000 2.286 0.000) 2.286 3.014 ( 0.000 -0.675 0.000) 0.675 3.068 ( 0.000 -3.497 0.000) 3.497 3.109 ( 0.000 -2.636 0.000) 2.636 3.116 ( 0.000 3.278 0.000) 3.278 3.167 ( 0.000 0.908 0.000) 0.908 3.222 ( 0.000 -0.770 0.000) 0.770 3.437 ( 0.000 1.825 0.000) 1.825 3.478 ( 0.000 -4.257 0.000) 4.257 3.479 ( 0.000 -3.162 0.000) 3.162 3.623 ( 0.000 -3.959 0.000) 3.959 3.697 ( 0.000 -0.714 0.000) 0.714 3.764 ( 0.000 7.417 0.000) 7.417 3.977 ( 0.000 2.294 0.000) 2.294 4.006 ( 0.000 -1.718 0.000) 1.718 4.035 ( 0.000 -2.496 0.000) 2.496 4.170 ( 0.000 0.631 0.000) 0.631 4.253 ( 0.000 0.759 0.000) 0.759 4.390 ( 0.000 3.706 0.000) 3.706 4.453 ( 0.000 0.378 0.000) 0.378 4.503 ( 0.000 4.995 0.000) 4.995 4.509 ( 0.000 2.458 0.000) 2.458 4.698 ( 0.000 -0.074 0.000) 0.074 4.814 ( 0.000 -4.802 0.000) 4.802 4.830 ( 0.000 -5.351 0.000) 5.351 5.125 ( 0.000 -1.151 0.000) 1.151 5.140 ( 0.000 -0.932 0.000) 0.932 5.450 ( 0.000 1.479 0.000) 1.479 5.566 ( 0.000 5.177 0.000) 5.177 5.636 ( 0.000 1.998 0.000) 1.998 5.969 ( 0.000 -0.423 0.000) 0.423 6.000 ( 0.000 -0.810 0.000) 0.810 6.078 ( 0.000 -0.003 0.000) 0.003 6.157 ( 0.000 -3.953 0.000) 3.953 6.160 ( 0.000 2.270 0.000) 2.270 6.278 ( 0.000 -0.238 0.000) 0.238 6.393 ( 0.000 -2.763 0.000) 2.763 6.647 ( 0.000 -1.131 0.000) 1.131 6.772 ( 0.000 -3.091 0.000) 3.091 6.867 ( 0.000 -2.078 0.000) 2.078 6.873 ( 0.000 -7.015 0.000) 7.015 7.030 ( 0.000 1.757 0.000) 1.757 7.049 ( 0.000 0.474 0.000) 0.474 7.179 ( 0.000 5.777 0.000) 5.777 7.350 ( 0.000 1.353 0.000) 1.353 7.936 ( 0.000 -1.911 0.000) 1.911 8.013 ( 0.000 -0.585 0.000) 0.585 8.061 ( 0.000 -1.895 0.000) 1.895 8.177 ( 0.000 1.764 0.000) 1.764 8.396 ( 0.000 3.616 0.000) 3.616 8.802 ( 0.000 -5.198 0.000) 5.198 10.583 ( 0.000 0.122 0.000) 0.122 10.594 ( 0.000 1.180 0.000) 1.180 10.974 ( 0.000 3.948 0.000) 3.948 11.059 ( 0.000 -1.403 0.000) 1.403 11.577 ( 0.000 4.624 0.000) 4.624 12.592 ( 0.000 -1.299 0.000) 1.299 12.681 ( 0.000 2.153 0.000) 2.153 12.904 ( 0.000 -4.555 0.000) 4.555 14.575 ( 0.000 2.700 0.000) 2.700 14.928 ( 0.000 -0.961 0.000) 0.961 15.486 ( 0.000 1.050 0.000) 1.050 15.531 ( 0.000 0.458 0.000) 0.458 16.020 ( 0.000 0.814 0.000) 0.814 16.192 ( 0.000 1.953 0.000) 1.953 16.271 ( 0.000 -1.551 0.000) 1.551 16.765 ( 0.000 -4.515 0.000) 4.515 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 7.156 11.872 -3.429) 14.280 0.570 ( 9.924 15.852 6.529) 19.810 1.007 ( 16.328 22.784 -4.277) 28.355 1.187 ( 3.672 2.074 6.483) 7.734 1.276 ( 4.705 2.787 -0.085) 5.468 1.418 ( 4.004 6.670 -1.115) 7.859 1.462 ( 1.312 1.081 2.601) 3.107 1.671 ( 3.164 1.976 4.702) 6.003 1.974 ( -2.966 4.074 -1.125) 5.163 2.053 ( -3.449 2.941 1.494) 4.772 2.241 ( -3.567 4.005 1.302) 5.519 2.287 ( -1.046 1.262 -0.693) 1.780 2.383 ( 1.091 -5.327 -1.694) 5.695 2.438 ( -3.452 -3.049 -0.646) 4.651 2.592 ( 0.906 2.127 -1.560) 2.788 2.774 ( -0.433 1.927 1.128) 2.274 2.840 ( 0.843 -0.447 0.409) 1.038 2.923 ( -1.578 0.160 2.356) 2.840 2.973 ( -4.490 -4.338 -1.058) 6.332 3.023 ( -1.461 -0.250 -2.062) 2.540 3.054 ( -3.910 1.280 -0.739) 4.180 3.137 ( -0.015 1.594 2.436) 2.911 3.180 ( 1.289 0.842 0.393) 1.590 3.222 ( 1.338 1.740 2.646) 3.438 3.358 ( -7.013 -1.295 -0.004) 7.131 3.488 ( 1.961 -0.412 1.815) 2.704 3.590 ( 0.007 -2.670 -4.176) 4.957 3.632 ( 4.415 -3.690 -1.887) 6.056 3.711 ( -0.915 1.150 3.811) 4.085 3.835 ( 4.471 0.606 8.141) 9.308 3.904 ( -5.761 0.439 -0.313) 5.787 3.950 ( -4.271 -2.333 -4.286) 6.485 4.041 ( -9.246 1.484 3.923) 10.153 4.064 ( 1.741 -1.097 -1.131) 2.348 4.184 ( -6.918 3.777 2.166) 8.174 4.285 ( -4.072 1.902 -1.251) 4.665 4.444 ( -0.591 4.302 -0.447) 4.365 4.506 ( -0.822 -0.040 -2.101) 2.257 4.602 ( 2.112 0.564 0.142) 2.190 4.716 ( 4.544 -1.177 1.905) 5.066 4.805 ( -0.367 -3.135 -0.023) 3.157 4.906 ( 5.904 -4.231 2.279) 7.613 5.091 ( -3.808 -1.329 2.326) 4.656 5.170 ( 2.857 -1.808 -1.062) 3.544 5.423 ( -2.151 0.808 1.493) 2.740 5.551 ( -0.591 1.044 -7.130) 7.230 5.679 ( 1.235 3.200 2.401) 4.187 5.882 ( -4.091 2.156 5.316) 7.046 5.916 ( -4.677 -0.071 -2.754) 5.428 6.111 ( -3.954 0.828 3.283) 5.205 6.146 ( 0.788 0.157 -1.132) 1.388 6.161 ( 0.403 -4.076 2.923) 5.032 6.277 ( -0.391 3.268 4.964) 5.956 6.493 ( 8.651 -1.395 -12.752) 15.473 6.597 ( -4.504 -1.318 1.173) 4.837 6.658 ( -3.860 2.356 -12.883) 13.653 6.796 ( -0.416 -2.416 0.924) 2.620 6.865 ( -0.688 -0.624 -0.501) 1.055 7.028 ( -1.814 1.178 -0.557) 2.234 7.070 ( 2.207 1.675 0.327) 2.790 7.183 ( -2.570 5.188 -0.924) 5.863 7.252 ( 3.351 4.506 0.934) 5.693 7.901 ( -4.655 -1.422 1.919) 5.232 7.983 ( 5.627 -1.292 1.529) 5.973 8.150 ( 1.540 -2.540 3.599) 4.667 8.443 ( 7.384 0.916 -2.169) 7.750 8.576 ( 8.858 -10.154 3.253) 13.862 8.824 ( 5.637 -6.380 -3.735) 9.297 10.481 ( -7.533 -0.301 0.072) 7.539 10.514 ( -3.216 -2.666 1.714) 4.515 11.185 ( 13.656 -0.773 0.301) 13.681 11.301 ( 11.684 -2.294 8.913) 14.874 11.651 ( 8.500 -2.449 -5.028) 10.175 12.473 ( -9.792 -4.291 4.493) 11.597 12.647 ( -0.311 4.138 0.094) 4.150 12.940 ( 1.848 1.943 -1.139) 2.913 14.599 ( 2.513 0.469 -7.135) 7.579 14.895 ( -3.176 -0.850 1.194) 3.498 15.320 ( -9.846 12.316 -10.241) 18.802 15.512 ( -1.420 0.085 -3.914) 4.165 15.971 ( -1.273 3.074 -0.397) 3.351 16.188 ( -0.171 2.048 -1.856) 2.769 16.213 ( -4.355 0.401 21.862) 22.295 16.723 ( -4.626 -3.457 -1.409) 5.945 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 16.294 -1.495 4.046) 16.855 0.813 ( 12.229 8.205 6.004) 15.903 1.216 ( 6.720 3.984 0.417) 7.823 1.299 ( 5.652 2.578 1.979) 6.520 1.411 ( 7.393 7.581 -0.065) 10.589 1.486 ( 0.466 1.508 0.461) 1.645 1.568 ( 10.228 7.348 2.534) 12.846 1.746 ( 2.388 1.531 5.633) 6.307 1.919 ( -1.268 3.018 -2.912) 4.381 2.013 ( -1.067 6.328 1.187) 6.526 2.138 ( -6.821 6.142 2.349) 9.475 2.197 ( -6.050 2.211 -4.021) 7.594 2.348 ( -4.167 -5.298 -1.190) 6.845 2.392 ( -2.487 -1.133 -0.125) 2.736 2.606 ( 0.609 -0.027 -2.003) 2.093 2.775 ( 0.293 2.267 -1.299) 2.629 2.822 ( -7.426 -2.063 -2.655) 8.152 2.848 ( 0.207 -1.616 0.478) 1.698 2.913 ( -1.548 1.465 0.769) 2.266 2.980 ( -2.594 -0.572 -1.879) 3.254 3.027 ( 0.240 2.403 1.057) 2.636 3.115 ( -2.136 -0.898 4.756) 5.290 3.216 ( -2.875 -0.275 0.788) 2.994 3.238 ( 1.089 0.542 0.081) 1.219 3.275 ( 3.321 3.799 0.139) 5.048 3.470 ( -3.616 -1.149 -1.081) 3.945 3.549 ( -1.480 0.928 -0.240) 1.763 3.649 ( -2.976 4.107 -2.303) 5.570 3.740 ( 0.829 -0.448 -5.178) 5.263 3.776 ( -2.402 -0.534 -4.254) 4.914 3.863 ( -2.436 -3.202 4.672) 6.165 3.907 ( 0.077 1.371 2.534) 2.882 3.914 ( -4.380 -0.363 2.664) 5.140 4.073 ( -4.787 1.665 3.177) 5.982 4.091 ( 0.699 0.460 -1.075) 1.362 4.214 ( -2.661 1.504 2.720) 4.092 4.430 ( -0.808 2.174 -4.712) 5.252 4.473 ( -2.338 -1.491 2.877) 3.995 4.615 ( 1.088 1.929 0.178) 2.222 4.764 ( -0.019 -4.099 -6.802) 7.942 4.888 ( 6.039 -7.097 5.413) 10.777 4.967 ( -0.127 -1.200 2.084) 2.408 4.988 ( -6.443 -2.561 2.597) 7.404 5.231 ( 2.534 -2.397 -0.848) 3.589 5.380 ( -3.263 1.382 2.230) 4.187 5.529 ( 0.109 -0.853 -4.649) 4.728 5.656 ( -2.161 3.802 -0.501) 4.402 5.846 ( -1.264 -2.519 2.004) 3.459 5.861 ( -1.704 4.174 0.482) 4.534 6.012 ( -4.179 0.316 0.936) 4.294 6.132 ( -1.127 2.229 1.702) 3.022 6.199 ( 1.967 -5.199 4.171) 6.950 6.343 ( 5.112 0.023 -3.836) 6.391 6.482 ( -4.507 0.059 -0.328) 4.519 6.525 ( -0.650 0.613 -10.827) 10.864 6.734 ( 2.828 -4.621 0.309) 5.426 6.774 ( 3.790 0.559 -2.884) 4.795 6.895 ( 1.455 3.581 0.200) 3.870 6.999 ( -0.524 -0.840 -0.530) 1.123 7.120 ( 2.351 6.937 0.777) 7.366 7.192 ( 3.331 -0.889 1.174) 3.642 7.320 ( 2.629 1.163 3.205) 4.305 7.788 ( -7.112 2.048 5.077) 8.975 8.099 ( 4.735 -2.479 -1.562) 5.568 8.193 ( 2.193 -3.232 2.579) 4.680 8.549 ( -5.247 -5.460 -1.073) 7.648 8.617 ( 9.467 0.201 -1.691) 9.619 8.962 ( 6.035 -2.972 -2.358) 7.128 10.348 ( -5.458 -0.902 -1.063) 5.633 10.484 ( -0.759 -6.364 2.145) 6.758 11.370 ( 2.121 4.049 4.842) 6.659 11.494 ( 10.971 0.210 -2.057) 11.164 11.790 ( 4.622 -0.720 -0.670) 4.725 12.371 ( -0.516 -12.685 1.660) 12.804 12.649 ( 0.107 4.990 0.547) 5.021 12.961 ( 0.697 5.848 -0.813) 5.945 14.628 ( 1.830 -0.705 -7.510) 7.762 14.830 ( -3.371 -1.930 2.783) 4.779 15.174 ( -4.071 11.663 -4.422) 13.120 15.471 ( -1.675 -0.648 -4.503) 4.848 15.987 ( 1.722 0.892 4.750) 5.131 16.177 ( -0.550 1.407 -1.857) 2.394 16.190 ( -1.769 0.527 12.775) 12.908 16.593 ( -7.642 -1.842 -2.485) 8.244 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 11.561 -2.728 4.416) 12.672 1.029 ( 7.851 3.547 6.269) 10.655 1.342 ( 6.155 1.340 2.180) 6.666 1.403 ( 4.484 2.049 -0.150) 4.932 1.487 ( 0.860 -0.059 -0.551) 1.023 1.534 ( 4.610 5.661 -0.070) 7.301 1.737 ( 4.031 5.832 2.589) 7.548 1.752 ( -2.294 3.573 2.284) 4.821 1.908 ( -0.212 2.256 -1.942) 2.985 2.000 ( -1.866 6.661 -4.528) 8.268 2.027 ( -2.146 1.083 3.920) 4.598 2.081 ( -3.809 5.820 -2.938) 7.551 2.248 ( -5.463 -2.013 0.815) 5.879 2.296 ( -6.627 2.044 0.142) 6.937 2.606 ( 0.733 -0.495 -2.882) 3.014 2.721 ( -1.978 0.850 -1.438) 2.589 2.765 ( -1.181 2.236 -2.616) 3.639 2.834 ( -6.388 4.167 -0.718) 7.661 2.864 ( 1.079 -1.570 0.168) 1.912 2.936 ( -1.058 -3.243 0.358) 3.430 3.046 ( 1.742 3.422 2.572) 4.622 3.110 ( 0.903 -2.061 3.593) 4.239 3.209 ( 0.093 2.300 1.163) 2.579 3.247 ( 1.516 -1.146 -1.960) 2.730 3.376 ( 4.447 0.600 -1.638) 4.777 3.408 ( -1.482 0.424 -2.017) 2.539 3.504 ( -1.180 2.386 -0.101) 2.664 3.600 ( -3.310 3.713 0.236) 4.980 3.681 ( -0.313 -1.440 -1.426) 2.051 3.784 ( -4.485 -0.660 1.252) 4.702 3.820 ( 2.949 0.992 -3.545) 4.717 3.875 ( -2.933 -0.419 2.470) 3.857 3.916 ( 1.402 0.131 -1.888) 2.355 4.008 ( -2.596 -0.805 4.569) 5.316 4.070 ( -1.781 3.047 -1.912) 4.014 4.210 ( 0.508 0.763 3.866) 3.973 4.411 ( -0.759 0.518 -4.316) 4.413 4.451 ( 1.860 -1.605 0.155) 2.462 4.609 ( -3.696 -0.441 2.264) 4.356 4.735 ( -1.309 -5.159 -3.716) 6.491 4.844 ( -5.729 -2.185 3.095) 6.868 4.945 ( 0.045 -3.289 -0.592) 3.342 5.035 ( 4.240 -3.761 3.455) 6.638 5.234 ( -1.100 -0.772 -2.414) 2.763 5.300 ( -4.590 2.518 1.427) 5.427 5.541 ( 1.328 -2.430 -2.481) 3.719 5.631 ( -0.463 3.764 0.388) 3.813 5.804 ( -2.701 -0.036 1.574) 3.127 5.869 ( 2.233 -0.997 0.622) 2.523 5.951 ( -2.733 2.777 1.150) 4.062 6.142 ( 1.909 -0.693 -0.990) 2.259 6.238 ( 0.477 -5.402 6.522) 8.482 6.368 ( -1.282 1.311 -4.400) 4.767 6.413 ( -2.352 -0.625 -1.713) 2.976 6.539 ( 2.443 -5.204 -4.685) 7.416 6.741 ( 1.331 -3.274 0.782) 3.619 6.888 ( 1.712 -0.026 0.187) 1.722 6.921 ( 5.284 4.412 -6.971) 9.797 7.001 ( 1.309 -1.248 -2.870) 3.393 7.146 ( -0.068 8.148 2.077) 8.409 7.259 ( 0.781 5.119 5.205) 7.342 7.378 ( 1.311 -7.006 5.515) 9.012 7.688 ( -1.896 6.095 4.371) 7.736 8.138 ( -0.484 -2.778 -6.336) 6.935 8.227 ( 0.601 -3.461 0.655) 3.573 8.451 ( -3.177 -5.200 1.369) 6.246 8.787 ( 7.086 0.309 -0.684) 7.125 9.032 ( 1.661 0.026 -1.041) 1.961 10.269 ( -2.387 -1.380 -1.101) 2.969 10.481 ( -0.028 -7.328 1.369) 7.455 11.388 ( -0.005 6.112 2.507) 6.606 11.602 ( 0.696 2.902 -3.053) 4.269 11.900 ( 6.593 -0.463 2.293) 6.996 12.409 ( 2.693 -15.521 -0.828) 15.775 12.650 ( -0.165 5.963 0.657) 6.002 12.968 ( 0.184 6.781 -0.491) 6.801 14.641 ( 0.860 -0.347 -4.705) 4.796 14.783 ( -1.901 -3.973 2.660) 5.145 15.117 ( -1.526 9.266 -1.550) 9.518 15.435 ( -1.040 -1.241 -2.792) 3.228 16.038 ( 2.105 -0.689 4.167) 4.719 16.162 ( -0.710 0.181 0.324) 0.801 16.194 ( 0.395 2.192 4.953) 5.430 16.437 ( -6.977 -0.835 -3.093) 7.678 ======================= Grid point 13 (10/72) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 -1.620 0.000) 1.620 1.126 ( 0.000 1.505 0.000) 1.505 1.436 ( 0.000 0.404 -0.000) 0.404 1.440 ( -0.000 3.226 -0.000) 3.226 1.510 ( 0.000 -1.849 -0.000) 1.849 1.601 ( 0.000 4.482 0.000) 4.482 1.667 ( 0.000 4.279 -0.000) 4.279 1.765 ( 0.000 4.651 0.000) 4.651 1.929 ( 0.000 -0.698 0.000) 0.698 1.939 ( -0.000 8.785 -0.000) 8.785 2.011 ( 0.000 5.300 -0.000) 5.300 2.101 ( 0.000 0.014 0.000) 0.014 2.149 ( 0.000 3.168 -0.000) 3.168 2.220 ( 0.000 2.786 0.000) 2.786 2.627 ( 0.000 -1.255 0.000) 1.255 2.715 ( 0.000 2.609 -0.000) 2.609 2.728 ( 0.000 5.456 0.000) 5.456 2.754 ( 0.000 -0.179 -0.000) 0.179 2.875 ( 0.000 -1.681 0.000) 1.681 2.926 ( 0.000 -4.259 -0.000) 4.259 3.092 ( 0.000 5.119 -0.000) 5.119 3.110 ( 0.000 1.307 -0.000) 1.307 3.214 ( 0.000 -1.335 -0.000) 1.335 3.275 ( 0.000 -1.943 -0.000) 1.943 3.355 ( 0.000 2.407 -0.000) 2.407 3.439 ( 0.000 -2.837 -0.000) 2.837 3.517 ( 0.000 2.837 -0.000) 2.837 3.562 ( 0.000 4.205 0.000) 4.205 3.680 ( 0.000 -2.069 0.000) 2.069 3.740 ( -0.000 2.383 0.000) 2.383 3.808 ( -0.000 -0.868 0.000) 0.868 3.877 ( -0.000 -0.127 -0.000) 0.127 3.951 ( 0.000 0.415 -0.000) 0.415 3.963 ( -0.000 -1.871 0.000) 1.871 4.047 ( -0.000 3.289 -0.000) 3.289 4.212 ( 0.000 1.825 -0.000) 1.825 4.420 ( 0.000 -0.657 -0.000) 0.657 4.507 ( 0.000 -4.991 -0.000) 4.991 4.516 ( -0.000 2.282 0.000) 2.282 4.707 ( -0.000 -5.121 -0.000) 5.121 4.800 ( -0.000 -1.860 0.000) 1.860 4.940 ( 0.000 -1.162 -0.000) 1.162 5.086 ( 0.000 -5.742 -0.000) 5.742 5.225 ( -0.000 0.631 0.000) 0.631 5.240 ( 0.000 3.043 -0.000) 3.043 5.553 ( 0.000 -3.064 -0.000) 3.064 5.629 ( 0.000 3.778 -0.000) 3.778 5.777 ( 0.000 0.042 0.000) 0.042 5.911 ( 0.000 -4.368 0.000) 4.368 5.911 ( -0.000 5.203 -0.000) 5.203 6.172 ( -0.000 -1.706 0.000) 1.706 6.240 ( 0.000 -5.233 -0.000) 5.233 6.348 ( 0.000 2.106 0.000) 2.106 6.383 ( 0.000 1.146 -0.000) 1.146 6.555 ( 0.000 -9.268 -0.000) 9.268 6.769 ( 0.000 -4.833 -0.000) 4.833 6.888 ( 0.000 0.135 0.000) 0.135 6.969 ( 0.000 -0.698 -0.000) 0.698 7.078 ( 0.000 1.572 -0.000) 1.572 7.110 ( -0.000 12.457 0.000) 12.457 7.260 ( 0.000 5.709 0.000) 5.709 7.373 ( 0.000 -5.839 0.000) 5.839 7.714 ( 0.000 4.756 0.000) 4.756 8.096 ( 0.000 -1.753 0.000) 1.753 8.233 ( 0.000 -4.215 -0.000) 4.215 8.430 ( 0.000 -5.555 -0.000) 5.555 8.863 ( 0.000 1.292 -0.000) 1.292 9.040 ( 0.000 0.200 0.000) 0.200 10.245 ( 0.000 -1.560 0.000) 1.560 10.483 ( 0.000 -7.498 -0.000) 7.498 11.390 ( 0.000 6.593 -0.000) 6.593 11.594 ( 0.000 3.673 -0.000) 3.673 11.979 ( 0.000 -1.400 -0.000) 1.400 12.438 ( 0.000 -15.236 -0.000) 15.236 12.648 ( 0.000 6.473 -0.000) 6.473 12.969 ( 0.000 6.894 0.000) 6.894 14.645 ( 0.000 -0.008 -0.000) 0.008 14.767 ( 0.000 -4.941 -0.000) 4.941 15.101 ( 0.000 8.483 0.000) 8.483 15.422 ( 0.000 -1.456 -0.000) 1.456 16.066 ( 0.000 -1.496 0.000) 1.496 16.155 ( 0.000 -0.114 0.000) 0.114 16.215 ( 0.000 3.440 -0.000) 3.440 16.348 ( 0.000 -0.933 0.000) 0.933 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 14.494 0.000) 14.494 0.906 ( 0.000 19.862 0.000) 19.862 1.121 ( 0.000 -1.482 0.000) 1.482 1.284 ( 0.000 5.062 0.000) 5.062 1.455 ( 0.000 27.377 0.000) 27.377 1.489 ( 0.000 2.517 0.000) 2.517 1.646 ( 0.000 14.262 0.000) 14.262 1.693 ( 0.000 4.505 0.000) 4.505 2.061 ( 0.000 -0.879 0.000) 0.879 2.062 ( 0.000 -2.503 0.000) 2.503 2.191 ( 0.000 -8.193 0.000) 8.193 2.263 ( 0.000 0.296 0.000) 0.296 2.367 ( 0.000 0.406 0.000) 0.406 2.414 ( 0.000 -3.783 0.000) 3.783 2.719 ( 0.000 6.351 0.000) 6.351 2.799 ( 0.000 -3.349 0.000) 3.349 2.827 ( 0.000 2.851 0.000) 2.851 2.955 ( 0.000 0.941 0.000) 0.941 3.012 ( 0.000 -1.479 0.000) 1.479 3.038 ( 0.000 -1.896 0.000) 1.896 3.058 ( 0.000 1.299 0.000) 1.299 3.092 ( 0.000 -3.463 0.000) 3.463 3.201 ( 0.000 4.313 0.000) 4.313 3.364 ( 0.000 10.527 0.000) 10.527 3.378 ( 0.000 -3.873 0.000) 3.873 3.409 ( 0.000 -1.546 0.000) 1.546 3.499 ( 0.000 -0.772 0.000) 0.772 3.532 ( 0.000 -2.462 0.000) 2.462 3.705 ( 0.000 2.499 0.000) 2.499 3.783 ( 0.000 -3.075 0.000) 3.075 3.994 ( 0.000 -1.240 0.000) 1.240 4.015 ( 0.000 -1.538 0.000) 1.538 4.112 ( 0.000 8.274 0.000) 8.274 4.140 ( 0.000 -1.463 0.000) 1.463 4.244 ( 0.000 -0.963 0.000) 0.963 4.449 ( 0.000 2.215 0.000) 2.215 4.473 ( 0.000 0.892 0.000) 0.892 4.526 ( 0.000 -1.144 0.000) 1.144 4.627 ( 0.000 6.135 0.000) 6.135 4.647 ( 0.000 -3.639 0.000) 3.639 4.703 ( 0.000 -5.933 0.000) 5.933 4.795 ( 0.000 2.603 0.000) 2.603 5.078 ( 0.000 -3.580 0.000) 3.580 5.096 ( 0.000 -3.343 0.000) 3.343 5.493 ( 0.000 2.928 0.000) 2.928 5.682 ( 0.000 5.318 0.000) 5.318 5.694 ( 0.000 3.191 0.000) 3.191 5.921 ( 0.000 -5.215 0.000) 5.215 6.014 ( 0.000 2.498 0.000) 2.498 6.061 ( 0.000 -1.532 0.000) 1.532 6.107 ( 0.000 0.443 0.000) 0.443 6.193 ( 0.000 0.517 0.000) 0.517 6.263 ( 0.000 -1.360 0.000) 1.360 6.314 ( 0.000 -4.892 0.000) 4.892 6.615 ( 0.000 -1.334 0.000) 1.334 6.699 ( 0.000 -3.584 0.000) 3.584 6.735 ( 0.000 -5.605 0.000) 5.605 6.804 ( 0.000 -3.926 0.000) 3.926 7.066 ( 0.000 1.137 0.000) 1.137 7.077 ( 0.000 2.189 0.000) 2.189 7.315 ( 0.000 7.382 0.000) 7.382 7.390 ( 0.000 2.539 0.000) 2.539 7.876 ( 0.000 -3.276 0.000) 3.276 8.012 ( 0.000 0.428 0.000) 0.428 8.019 ( 0.000 -2.367 0.000) 2.367 8.178 ( 0.000 -2.534 0.000) 2.534 8.486 ( 0.000 4.638 0.000) 4.638 8.686 ( 0.000 -4.939 0.000) 4.939 10.592 ( 0.000 0.786 0.000) 0.786 10.617 ( 0.000 0.839 0.000) 0.839 11.022 ( 0.000 0.368 0.000) 0.368 11.026 ( 0.000 -1.592 0.000) 1.592 11.753 ( 0.000 12.154 0.000) 12.154 12.511 ( 0.000 -7.236 0.000) 7.236 12.732 ( 0.000 2.573 0.000) 2.573 12.822 ( 0.000 -2.439 0.000) 2.439 14.650 ( 0.000 4.391 0.000) 4.391 14.895 ( 0.000 -2.280 0.000) 2.280 15.512 ( 0.000 1.287 0.000) 1.287 15.542 ( 0.000 0.425 0.000) 0.425 16.046 ( 0.000 1.812 0.000) 1.812 16.217 ( 0.000 -2.155 0.000) 2.155 16.261 ( 0.000 3.361 0.000) 3.361 16.643 ( 0.000 -6.998 0.000) 6.998 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -2.207 16.432 -0.360) 16.584 0.911 ( 2.626 16.038 3.600) 16.645 1.137 ( 1.678 -1.984 5.678) 6.244 1.300 ( 2.339 5.191 -2.580) 6.251 1.461 ( -1.468 2.358 -1.327) 3.078 1.554 ( 4.849 14.664 -1.082) 15.483 1.683 ( 4.868 15.132 1.673) 15.984 1.726 ( 2.676 4.833 2.549) 6.084 1.996 ( -2.696 -0.581 -5.484) 6.139 2.083 ( -0.105 -1.124 4.585) 4.722 2.218 ( 0.992 -6.500 -1.001) 6.651 2.268 ( -0.382 -2.920 0.965) 3.099 2.356 ( -1.281 1.271 -3.988) 4.377 2.417 ( 0.828 0.932 3.249) 3.480 2.700 ( -1.921 5.313 -0.391) 5.664 2.800 ( 0.163 -1.143 0.139) 1.163 2.825 ( -0.119 1.979 0.518) 2.049 2.871 ( -7.978 -1.910 1.623) 8.362 2.965 ( -0.557 1.802 -0.546) 1.963 2.984 ( -0.567 -0.192 -0.860) 1.048 3.073 ( -0.188 -0.940 1.712) 1.963 3.206 ( 0.908 3.766 1.597) 4.190 3.219 ( 2.547 0.593 -1.152) 2.857 3.315 ( -0.423 6.645 0.620) 6.687 3.347 ( -4.664 1.624 0.461) 4.960 3.462 ( 3.799 -1.819 0.191) 4.216 3.518 ( 4.065 -3.620 -2.744) 6.096 3.568 ( 1.148 -1.199 1.408) 2.176 3.712 ( 0.804 1.106 2.292) 2.669 3.819 ( 2.425 -2.898 0.109) 3.780 3.920 ( -6.091 -0.948 -2.475) 6.643 3.995 ( -2.698 -3.607 -3.454) 5.676 4.035 ( -6.541 6.252 -0.075) 9.049 4.107 ( -3.398 4.517 4.457) 7.198 4.231 ( -2.197 -0.238 1.044) 2.444 4.316 ( -6.191 2.077 -1.917) 6.806 4.514 ( -1.669 0.560 -0.137) 1.765 4.536 ( 0.402 2.751 -3.384) 4.380 4.565 ( -1.283 -2.034 2.492) 3.463 4.687 ( 1.424 -2.456 -2.264) 3.631 4.700 ( 0.154 -5.037 3.090) 5.912 4.861 ( 4.776 0.269 -0.788) 4.848 5.034 ( -4.758 -4.202 3.268) 7.139 5.119 ( 2.309 -3.173 -2.175) 4.487 5.453 ( -2.613 2.264 1.742) 3.871 5.586 ( -4.296 1.415 -5.201) 6.893 5.763 ( 1.317 4.137 0.962) 4.446 5.921 ( -5.768 2.373 5.444) 8.279 5.928 ( -0.286 0.490 -3.048) 3.100 6.062 ( 0.095 -3.872 2.305) 4.507 6.108 ( -5.338 -1.157 3.380) 6.424 6.148 ( 2.228 0.075 -3.153) 3.861 6.299 ( 0.635 -0.604 4.270) 4.359 6.414 ( 6.680 -6.486 -5.625) 10.879 6.581 ( -2.510 0.286 -0.446) 2.565 6.645 ( -2.663 -1.812 -5.649) 6.503 6.733 ( 0.428 -2.616 2.433) 3.598 6.852 ( 5.064 -1.931 -0.564) 5.449 7.049 ( -1.700 0.972 -2.037) 2.826 7.065 ( -0.504 -0.392 -1.352) 1.495 7.347 ( -1.300 8.632 1.397) 8.840 7.369 ( 2.236 6.247 0.586) 6.661 7.859 ( -1.203 -2.411 0.967) 2.863 7.951 ( 2.424 -1.714 0.345) 2.989 8.092 ( 0.661 -2.364 2.159) 3.269 8.353 ( 8.972 -8.765 3.781) 13.101 8.528 ( 4.144 3.334 -1.868) 5.637 8.721 ( 5.519 -3.674 -2.670) 7.147 10.482 ( -8.237 0.332 0.157) 8.246 10.494 ( -7.733 0.015 1.089) 7.809 11.175 ( 13.535 -0.597 -0.649) 13.564 11.257 ( 15.777 -2.581 0.366) 15.990 11.747 ( 0.024 9.983 -0.954) 10.029 12.379 ( -10.711 -5.791 3.005) 12.541 12.737 ( 1.191 4.212 0.687) 4.430 12.910 ( 5.751 -2.698 -1.296) 6.483 14.649 ( 0.026 3.656 -1.744) 4.051 14.867 ( -2.889 -2.004 1.171) 3.706 15.459 ( -4.452 3.462 -4.561) 7.253 15.514 ( -2.083 0.158 -3.920) 4.442 16.024 ( -1.535 2.397 0.615) 2.912 16.191 ( -2.767 -2.054 8.716) 9.373 16.254 ( -0.383 4.090 0.128) 4.110 16.620 ( -2.628 -6.174 -1.387) 6.852 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 7.843 11.026 2.461) 13.753 1.013 ( 5.720 9.769 6.748) 13.179 1.221 ( 5.254 -2.303 6.485) 8.658 1.360 ( 3.949 4.059 -1.066) 5.762 1.449 ( 0.396 -1.141 -2.185) 2.496 1.590 ( 1.236 5.377 -2.616) 6.106 1.769 ( 1.548 2.083 1.769) 3.141 1.815 ( 5.002 10.381 2.736) 11.844 1.956 ( 0.011 1.576 -6.049) 6.251 2.076 ( -1.502 -0.570 1.196) 2.003 2.209 ( -1.472 -2.571 -1.635) 3.384 2.248 ( -1.460 -3.236 2.474) 4.328 2.306 ( -2.840 5.507 -0.928) 6.265 2.423 ( -2.565 5.184 1.702) 6.030 2.652 ( -1.839 4.810 -0.810) 5.213 2.770 ( -2.123 -1.701 1.813) 3.269 2.805 ( -0.430 0.994 -2.449) 2.678 2.838 ( 1.341 1.796 0.675) 2.340 2.933 ( -1.370 0.986 -0.599) 1.791 3.005 ( 1.040 3.254 0.885) 3.529 3.041 ( -2.669 -0.721 1.381) 3.091 3.173 ( -2.119 1.643 0.007) 2.682 3.193 ( -5.221 2.433 0.876) 5.826 3.300 ( 2.863 4.557 -2.161) 5.800 3.370 ( 1.383 3.667 0.848) 4.010 3.476 ( -0.114 2.484 0.278) 2.502 3.550 ( -1.077 -0.454 1.077) 1.589 3.664 ( 6.207 -5.028 -0.675) 8.016 3.697 ( -3.668 1.004 -4.876) 6.184 3.791 ( -2.267 -2.539 2.485) 4.214 3.821 ( -4.699 -0.337 -1.607) 4.978 3.919 ( -3.437 2.073 0.689) 4.073 3.944 ( -1.344 0.102 -0.789) 1.562 4.060 ( -2.061 2.499 3.680) 4.903 4.166 ( -2.850 3.030 1.857) 4.555 4.234 ( -2.785 0.161 -2.227) 3.570 4.443 ( -3.925 0.941 1.405) 4.274 4.512 ( -2.998 2.790 -1.753) 4.455 4.578 ( 1.239 -6.122 -0.626) 6.278 4.658 ( -1.349 -4.356 -6.144) 7.651 4.760 ( 2.515 -4.313 5.275) 7.263 4.894 ( -5.224 -5.252 3.903) 8.374 4.971 ( 2.788 0.424 -0.058) 2.820 5.169 ( 2.999 -3.482 -3.530) 5.794 5.414 ( -2.494 1.853 2.315) 3.874 5.514 ( -2.325 -0.970 -2.156) 3.316 5.731 ( -3.024 2.988 -0.061) 4.251 5.827 ( -3.100 0.856 1.002) 3.369 5.929 ( -3.343 2.427 0.281) 4.140 6.007 ( -1.311 -0.520 0.749) 1.597 6.079 ( 0.689 -5.052 3.139) 5.988 6.159 ( -1.638 0.002 -0.650) 1.762 6.322 ( 0.684 -2.221 2.228) 3.219 6.453 ( -0.684 -7.211 -2.398) 7.630 6.512 ( -2.427 2.348 -5.528) 6.478 6.652 ( 1.166 -2.514 -1.344) 3.080 6.793 ( 6.880 1.736 -3.538) 7.929 6.961 ( 2.561 2.210 0.539) 3.425 6.996 ( -2.614 0.234 -1.266) 2.914 7.091 ( 5.158 -5.825 1.288) 7.887 7.332 ( 1.052 10.961 -0.355) 11.017 7.426 ( 1.335 7.870 5.476) 9.680 7.828 ( -2.391 1.538 3.363) 4.404 8.040 ( 3.988 -3.109 0.236) 5.062 8.100 ( 0.867 -4.990 0.294) 5.074 8.389 ( -3.603 -9.680 -1.186) 10.397 8.650 ( 8.347 2.797 -1.577) 8.944 8.884 ( 8.788 -4.195 -1.317) 9.827 10.334 ( -6.227 -0.268 -0.100) 6.234 10.385 ( -3.752 -2.997 1.338) 4.985 11.439 ( 11.145 0.613 -0.619) 11.179 11.503 ( 8.150 0.847 0.346) 8.201 11.789 ( 5.373 2.734 -2.227) 6.427 12.194 ( -7.308 -5.873 3.576) 10.034 12.769 ( 1.554 6.015 0.909) 6.278 12.997 ( 3.202 -1.006 -0.896) 3.474 14.645 ( 0.070 2.071 -2.560) 3.294 14.798 ( -4.026 -1.625 2.004) 4.782 15.353 ( -4.618 5.778 -4.685) 8.755 15.458 ( -2.459 -0.462 -4.553) 5.195 16.014 ( 0.175 1.788 3.843) 4.242 16.163 ( -1.744 -1.863 7.668) 8.082 16.246 ( -0.386 3.823 -0.564) 3.883 16.532 ( -5.641 -3.969 -1.972) 7.173 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 10.445 5.214 3.488) 12.184 1.128 ( 3.795 5.414 8.139) 10.486 1.344 ( 5.663 -1.387 3.210) 6.656 1.434 ( 3.193 1.700 -0.136) 3.620 1.460 ( 1.367 -2.416 -3.471) 4.445 1.621 ( 2.050 1.422 -1.432) 2.876 1.779 ( -0.569 1.489 0.732) 1.754 1.862 ( -1.211 2.749 1.761) 3.482 1.963 ( 0.682 3.236 -7.408) 8.113 2.052 ( 1.186 2.708 0.333) 2.975 2.168 ( -1.456 4.545 -4.217) 6.369 2.211 ( -3.684 2.486 5.088) 6.755 2.259 ( -1.701 3.904 1.511) 4.519 2.337 ( -5.023 4.739 1.759) 7.126 2.626 ( -0.741 3.217 -2.420) 4.093 2.752 ( -0.294 1.705 2.250) 2.839 2.774 ( -1.827 -0.035 -2.814) 3.355 2.867 ( 0.579 1.638 -0.348) 1.772 2.899 ( -2.235 1.005 -1.031) 2.658 2.948 ( -5.256 3.846 1.129) 6.610 3.051 ( 2.063 -3.006 0.885) 3.752 3.139 ( 1.208 5.515 1.180) 5.767 3.175 ( 1.516 -2.194 1.251) 2.946 3.315 ( -2.888 5.220 -1.286) 6.102 3.393 ( 2.599 1.360 -2.272) 3.710 3.475 ( -0.503 5.142 -0.397) 5.182 3.530 ( -0.299 -0.039 1.062) 1.103 3.631 ( -1.569 -2.462 -1.026) 3.094 3.693 ( -3.271 3.482 0.485) 4.802 3.730 ( -0.467 -2.560 0.332) 2.623 3.835 ( 3.586 -1.700 -1.865) 4.385 3.887 ( -2.629 1.127 0.692) 2.943 3.901 ( -1.585 -0.760 -0.750) 1.911 4.033 ( -1.394 3.736 2.993) 4.986 4.131 ( -1.768 2.241 -0.354) 2.876 4.216 ( 1.870 -0.375 0.649) 2.014 4.401 ( -3.109 -1.091 -1.598) 3.662 4.440 ( -0.289 0.256 1.390) 1.443 4.564 ( -3.184 -7.039 0.589) 7.748 4.618 ( -1.794 -2.035 -4.514) 5.266 4.783 ( -2.209 -3.781 1.342) 4.580 4.817 ( -0.182 -5.364 3.514) 6.415 5.057 ( 4.401 2.765 0.029) 5.198 5.212 ( 2.135 -1.493 -3.760) 4.575 5.351 ( -4.141 1.979 2.223) 5.099 5.476 ( -1.368 -3.589 -0.646) 3.895 5.701 ( -0.018 1.809 1.289) 2.221 5.780 ( -1.942 -0.274 -0.598) 2.051 5.848 ( -3.331 -1.033 1.318) 3.728 6.009 ( -0.066 2.455 -0.673) 2.547 6.111 ( 1.369 -6.300 3.698) 7.433 6.120 ( -1.162 -1.185 -1.164) 2.028 6.321 ( -0.278 -5.122 -0.860) 5.201 6.408 ( -3.418 -5.411 2.585) 6.903 6.477 ( -0.532 3.109 -6.161) 6.921 6.675 ( 1.432 -1.561 -0.554) 2.189 6.893 ( 0.917 0.569 -1.268) 1.665 6.950 ( -1.250 -0.859 0.375) 1.562 7.016 ( 6.890 1.492 -7.582) 10.353 7.219 ( 4.420 -6.038 4.426) 8.694 7.368 ( 1.315 11.858 3.025) 12.308 7.441 ( -0.418 10.492 4.825) 11.555 7.794 ( -0.885 4.256 3.646) 5.674 8.060 ( -0.535 -4.499 -5.293) 6.967 8.134 ( 0.711 -5.267 0.348) 5.326 8.303 ( -3.218 -8.815 0.146) 9.385 8.809 ( 7.223 1.741 -1.023) 7.500 9.002 ( 3.234 -2.887 -0.508) 4.365 10.245 ( -2.848 -0.757 -0.492) 2.988 10.341 ( -1.273 -5.442 1.154) 5.706 11.533 ( 1.025 6.645 1.073) 6.809 11.628 ( 3.320 -0.035 -2.404) 4.099 11.907 ( 5.627 0.820 0.001) 5.687 12.140 ( 0.620 -9.759 1.696) 9.925 12.794 ( 0.722 7.255 0.669) 7.321 13.036 ( 1.133 0.494 -0.485) 1.328 14.643 ( 0.337 0.689 -2.319) 2.443 14.731 ( -3.015 -1.694 2.088) 4.040 15.275 ( -2.426 5.879 -2.468) 6.821 15.410 ( -1.536 -1.061 -2.783) 3.351 16.038 ( 1.152 0.806 3.527) 3.797 16.150 ( -0.783 -1.356 3.191) 3.555 16.246 ( 0.656 2.709 0.728) 2.881 16.410 ( -5.864 -1.879 -2.367) 6.597 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 4.182 -0.000) 4.182 1.178 ( 0.000 3.574 0.000) 3.574 1.422 ( 0.000 -1.057 -0.000) 1.057 1.461 ( 0.000 -0.005 -0.000) 0.005 1.478 ( 0.000 -1.993 -0.000) 1.993 1.645 ( 0.000 -1.828 0.000) 1.828 1.766 ( 0.000 4.102 0.000) 4.102 1.824 ( -0.000 1.500 -0.000) 1.500 1.954 ( 0.000 2.689 0.000) 2.689 2.126 ( -0.000 4.243 0.000) 4.243 2.127 ( 0.000 6.600 -0.000) 6.600 2.157 ( 0.000 7.969 -0.000) 7.969 2.248 ( 0.000 -0.539 0.000) 0.539 2.273 ( 0.000 6.512 -0.000) 6.512 2.620 ( 0.000 2.204 0.000) 2.204 2.744 ( 0.000 -0.915 -0.000) 0.915 2.764 ( 0.000 2.359 -0.000) 2.359 2.845 ( 0.000 5.077 -0.000) 5.077 2.862 ( 0.000 -1.099 -0.000) 1.099 2.905 ( -0.000 2.921 0.000) 2.921 3.083 ( 0.000 -3.584 -0.000) 3.584 3.179 ( 0.000 -1.474 -0.000) 1.474 3.201 ( 0.000 0.933 0.000) 0.933 3.264 ( -0.000 5.994 -0.000) 5.994 3.405 ( 0.000 -0.172 -0.000) 0.172 3.453 ( 0.000 6.431 0.000) 6.431 3.560 ( 0.000 1.375 -0.000) 1.375 3.611 ( 0.000 -3.762 0.000) 3.762 3.659 ( 0.000 2.879 0.000) 2.879 3.767 ( -0.000 1.065 0.000) 1.065 3.786 ( 0.000 -1.807 0.000) 1.807 3.867 ( -0.000 -0.137 0.000) 0.137 3.922 ( 0.000 -1.298 -0.000) 1.298 4.018 ( 0.000 4.922 0.000) 4.922 4.110 ( 0.000 2.415 -0.000) 2.415 4.240 ( 0.000 0.800 -0.000) 0.800 4.396 ( 0.000 -1.833 -0.000) 1.833 4.413 ( -0.000 -3.226 0.000) 3.226 4.543 ( 0.000 -9.494 0.000) 9.494 4.572 ( -0.000 2.745 -0.000) 2.745 4.758 ( 0.000 -2.403 0.000) 2.403 4.827 ( 0.000 -6.611 -0.000) 6.611 5.107 ( -0.000 5.070 -0.000) 5.070 5.238 ( -0.000 0.663 0.000) 0.663 5.294 ( 0.000 1.514 -0.000) 1.514 5.461 ( 0.000 -5.548 0.000) 5.548 5.713 ( 0.000 3.033 -0.000) 3.033 5.754 ( 0.000 -2.249 0.000) 2.249 5.817 ( 0.000 -2.883 0.000) 2.883 6.003 ( 0.000 3.567 0.000) 3.567 6.115 ( -0.000 -2.864 0.000) 2.864 6.126 ( 0.000 -5.776 -0.000) 5.776 6.341 ( 0.000 -5.539 0.000) 5.539 6.346 ( 0.000 -7.236 -0.000) 7.236 6.464 ( 0.000 5.155 -0.000) 5.155 6.692 ( 0.000 -1.595 -0.000) 1.595 6.890 ( 0.000 -0.058 0.000) 0.058 6.935 ( 0.000 -1.869 -0.000) 1.869 7.116 ( 0.000 0.623 -0.000) 0.623 7.249 ( 0.000 -5.200 -0.000) 5.200 7.384 ( 0.000 13.034 0.000) 13.034 7.438 ( 0.000 11.707 0.000) 11.707 7.806 ( 0.000 4.078 -0.000) 4.078 8.029 ( 0.000 -4.924 0.000) 4.924 8.133 ( 0.000 -5.008 -0.000) 5.008 8.280 ( 0.000 -8.700 -0.000) 8.700 8.890 ( 0.000 1.273 0.000) 1.273 9.025 ( 0.000 -1.878 0.000) 1.878 10.217 ( 0.000 -0.948 0.000) 0.948 10.331 ( 0.000 -6.327 -0.000) 6.327 11.542 ( 0.000 7.098 -0.000) 7.098 11.644 ( 0.000 0.955 0.000) 0.955 11.972 ( -0.000 0.661 0.000) 0.661 12.159 ( 0.000 -11.002 -0.000) 11.002 12.801 ( 0.000 7.646 -0.000) 7.646 13.046 ( 0.000 0.993 -0.000) 0.993 14.646 ( 0.000 0.235 0.000) 0.235 14.700 ( 0.000 -1.905 -0.000) 1.905 15.249 ( 0.000 5.678 0.000) 5.678 15.392 ( 0.000 -1.302 -0.000) 1.302 16.057 ( 0.000 0.496 0.000) 0.496 16.145 ( 0.000 -0.983 -0.000) 0.983 16.272 ( -0.000 1.932 -0.000) 1.932 16.326 ( 0.000 -1.009 0.000) 1.009 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 6.574 0.000) 6.574 1.059 ( 0.000 -3.865 0.000) 3.865 1.263 ( 0.000 14.590 0.000) 14.590 1.463 ( 0.000 11.392 0.000) 11.392 1.480 ( 0.000 -5.418 0.000) 5.418 1.641 ( 0.000 -3.552 0.000) 3.552 1.896 ( 0.000 8.524 0.000) 8.524 1.963 ( 0.000 6.610 0.000) 6.610 2.018 ( 0.000 -0.669 0.000) 0.669 2.022 ( 0.000 -1.267 0.000) 1.267 2.092 ( 0.000 4.427 0.000) 4.427 2.240 ( 0.000 -3.656 0.000) 3.656 2.337 ( 0.000 -1.760 0.000) 1.760 2.344 ( 0.000 -2.595 0.000) 2.595 2.748 ( 0.000 -0.742 0.000) 0.742 2.758 ( 0.000 -0.819 0.000) 0.819 2.890 ( 0.000 3.031 0.000) 3.031 2.958 ( 0.000 -3.079 0.000) 3.079 2.982 ( 0.000 -0.017 0.000) 0.017 2.996 ( 0.000 0.370 0.000) 0.370 3.035 ( 0.000 -0.521 0.000) 0.521 3.098 ( 0.000 -2.071 0.000) 2.071 3.299 ( 0.000 3.698 0.000) 3.698 3.333 ( 0.000 -0.585 0.000) 0.585 3.395 ( 0.000 0.680 0.000) 0.680 3.437 ( 0.000 -3.196 0.000) 3.196 3.540 ( 0.000 2.801 0.000) 2.801 3.549 ( 0.000 4.606 0.000) 4.606 3.760 ( 0.000 1.678 0.000) 1.678 3.797 ( 0.000 4.087 0.000) 4.087 3.896 ( 0.000 -5.753 0.000) 5.753 3.941 ( 0.000 -4.139 0.000) 4.139 4.153 ( 0.000 0.917 0.000) 0.917 4.168 ( 0.000 -1.243 0.000) 1.243 4.320 ( 0.000 6.836 0.000) 6.836 4.437 ( 0.000 -4.381 0.000) 4.381 4.499 ( 0.000 2.917 0.000) 2.917 4.522 ( 0.000 1.209 0.000) 1.209 4.580 ( 0.000 -3.109 0.000) 3.109 4.587 ( 0.000 -3.796 0.000) 3.796 4.770 ( 0.000 6.579 0.000) 6.579 4.852 ( 0.000 0.942 0.000) 0.942 4.989 ( 0.000 -3.376 0.000) 3.376 5.015 ( 0.000 -3.962 0.000) 3.962 5.583 ( 0.000 5.993 0.000) 5.993 5.714 ( 0.000 -4.163 0.000) 4.163 5.767 ( 0.000 2.797 0.000) 2.797 5.805 ( 0.000 -2.755 0.000) 2.755 6.062 ( 0.000 1.717 0.000) 1.717 6.083 ( 0.000 2.409 0.000) 2.409 6.140 ( 0.000 2.375 0.000) 2.375 6.181 ( 0.000 -0.828 0.000) 0.828 6.206 ( 0.000 -4.506 0.000) 4.506 6.219 ( 0.000 -2.868 0.000) 2.868 6.617 ( 0.000 1.265 0.000) 1.265 6.641 ( 0.000 -1.767 0.000) 1.767 6.664 ( 0.000 -0.744 0.000) 0.744 6.715 ( 0.000 -4.337 0.000) 4.337 7.091 ( 0.000 1.130 0.000) 1.130 7.102 ( 0.000 0.236 0.000) 0.236 7.445 ( 0.000 3.658 0.000) 3.658 7.446 ( 0.000 2.388 0.000) 2.388 7.849 ( 0.000 2.024 0.000) 2.024 7.947 ( 0.000 -5.183 0.000) 5.183 8.030 ( 0.000 1.481 0.000) 1.481 8.087 ( 0.000 -4.522 0.000) 4.522 8.568 ( 0.000 3.168 0.000) 3.168 8.618 ( 0.000 -2.157 0.000) 2.157 10.611 ( 0.000 0.870 0.000) 0.870 10.623 ( 0.000 -0.226 0.000) 0.226 11.003 ( 0.000 -0.423 0.000) 0.423 11.009 ( 0.000 -0.876 0.000) 0.876 12.033 ( 0.000 14.132 0.000) 14.132 12.306 ( 0.000 -12.110 0.000) 12.110 12.776 ( 0.000 1.562 0.000) 1.562 12.797 ( 0.000 -0.669 0.000) 0.669 14.745 ( 0.000 4.661 0.000) 4.661 14.833 ( 0.000 -3.746 0.000) 3.746 15.535 ( 0.000 0.865 0.000) 0.865 15.545 ( 0.000 -0.149 0.000) 0.149 16.094 ( 0.000 2.779 0.000) 2.779 16.156 ( 0.000 -3.191 0.000) 3.191 16.360 ( 0.000 5.832 0.000) 5.832 16.494 ( 0.000 -7.141 0.000) 7.141 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.306 7.717 5.172) 9.295 1.073 ( 1.385 -3.641 5.675) 6.884 1.212 ( -3.453 13.370 -1.320) 13.871 1.433 ( -3.649 -6.283 -2.537) 7.696 1.468 ( 0.742 10.174 -1.982) 10.392 1.635 ( -0.489 -3.610 -1.136) 3.816 1.868 ( -2.249 6.886 -1.649) 7.429 1.944 ( -1.749 2.468 -1.463) 3.360 2.009 ( 0.640 3.618 -1.190) 3.862 2.048 ( 0.340 0.559 4.532) 4.579 2.099 ( 1.439 -3.746 -0.812) 4.094 2.169 ( -2.736 -5.840 -3.114) 7.161 2.403 ( 3.254 2.187 2.453) 4.624 2.422 ( 3.580 -0.029 4.463) 5.721 2.719 ( -0.262 0.739 -0.508) 0.934 2.755 ( -0.293 -2.456 -1.046) 2.685 2.881 ( -0.498 3.030 0.366) 3.092 2.928 ( -1.630 0.579 -0.309) 1.758 2.976 ( 0.051 2.948 -0.280) 2.962 3.044 ( 1.602 -0.859 -0.499) 1.885 3.068 ( 2.687 4.480 1.864) 5.546 3.179 ( 4.801 -4.259 2.819) 7.009 3.297 ( -0.196 3.578 0.212) 3.590 3.325 ( -1.532 -0.390 3.379) 3.730 3.386 ( -2.602 -0.159 -1.322) 2.923 3.423 ( 3.596 -3.347 -3.560) 6.067 3.548 ( 0.718 3.836 1.502) 4.181 3.571 ( 1.198 1.660 0.560) 2.122 3.759 ( -1.123 2.099 0.938) 2.559 3.794 ( 0.422 1.085 -2.498) 2.756 3.865 ( -4.103 -4.487 1.045) 6.169 3.890 ( -2.844 -3.773 -7.116) 8.542 4.119 ( -2.511 3.207 -0.441) 4.096 4.182 ( 0.079 -1.935 1.372) 2.374 4.254 ( -6.079 5.541 3.690) 9.015 4.337 ( -6.955 -1.466 2.907) 7.679 4.499 ( -0.903 0.458 -3.793) 3.926 4.545 ( -0.674 0.775 -0.802) 1.303 4.570 ( -1.817 -3.484 0.566) 3.970 4.580 ( 1.434 -2.035 -3.034) 3.924 4.727 ( -2.808 5.064 3.595) 6.816 4.846 ( -2.244 -4.444 1.276) 5.140 4.974 ( 0.047 0.986 -0.302) 1.033 5.042 ( 2.269 -4.147 -2.544) 5.368 5.518 ( -4.316 3.816 1.179) 5.881 5.585 ( -6.359 -1.928 -1.347) 6.780 5.827 ( 1.183 2.443 -1.483) 3.093 5.885 ( 2.682 -3.403 -2.120) 4.824 5.991 ( -4.649 4.032 4.492) 7.619 6.065 ( -5.962 -2.710 3.098) 7.244 6.074 ( -0.747 3.687 0.490) 3.794 6.145 ( 0.454 -1.291 -1.592) 2.099 6.265 ( 1.732 -2.198 0.174) 2.804 6.281 ( 2.933 -4.304 -1.553) 5.435 6.595 ( -1.679 0.884 -0.699) 2.022 6.616 ( -1.522 -1.151 -2.555) 3.189 6.718 ( 5.179 1.562 2.165) 5.826 6.783 ( 6.743 -4.020 1.117) 7.929 7.065 ( -2.270 0.524 -2.802) 3.644 7.068 ( -2.699 0.239 -2.800) 3.896 7.477 ( 2.433 4.293 1.901) 5.288 7.497 ( 3.645 3.633 4.958) 7.146 7.837 ( 0.150 1.545 -2.987) 3.366 7.905 ( 0.166 -3.185 -2.450) 4.022 8.074 ( 0.813 1.112 2.872) 3.185 8.167 ( 4.203 -8.044 2.961) 9.546 8.604 ( 4.011 3.483 -1.214) 5.449 8.663 ( 5.064 -2.457 -1.416) 5.804 10.490 ( -8.672 0.407 0.321) 8.688 10.496 ( -8.992 -0.068 0.803) 9.028 11.171 ( 13.759 0.550 -1.042) 13.809 11.202 ( 14.675 -2.379 -1.231) 14.917 11.989 ( -3.866 12.303 0.324) 12.900 12.219 ( -7.497 -9.729 1.291) 12.350 12.811 ( 3.165 2.892 0.547) 4.323 12.860 ( 5.032 -2.183 -0.188) 5.489 14.732 ( -1.314 4.167 -0.116) 4.371 14.811 ( -2.254 -3.389 0.787) 4.146 15.503 ( -2.735 1.190 -3.316) 4.460 15.515 ( -2.435 -0.168 -3.464) 4.238 16.077 ( -1.604 2.768 2.586) 4.114 16.137 ( -2.013 -2.981 4.843) 6.032 16.356 ( -0.405 5.739 -0.801) 5.809 16.485 ( -1.147 -6.650 -1.143) 6.844 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 3.334 10.551 6.563) 12.865 1.149 ( 4.205 -3.941 9.587) 11.186 1.187 ( 1.862 7.369 0.722) 7.635 1.360 ( -2.093 -7.778 -3.334) 8.718 1.489 ( 1.661 7.777 -3.557) 8.712 1.618 ( -0.884 -3.069 -1.960) 3.747 1.833 ( -0.530 4.231 -1.713) 4.595 1.908 ( -1.574 -1.297 -0.277) 2.059 2.024 ( 1.547 5.010 -5.071) 7.294 2.066 ( 0.800 1.243 3.075) 3.412 2.128 ( 1.347 -4.274 1.161) 4.629 2.144 ( 0.246 -5.785 -2.988) 6.516 2.415 ( -1.414 3.926 3.439) 5.407 2.465 ( -0.261 -0.890 2.569) 2.731 2.740 ( 0.785 2.521 1.391) 2.985 2.762 ( 0.487 0.075 0.939) 1.060 2.882 ( -1.115 3.778 0.434) 3.963 2.899 ( -0.310 2.903 -1.274) 3.185 2.951 ( -1.806 1.665 -1.744) 3.012 3.014 ( -3.876 -2.278 -0.579) 4.533 3.126 ( -0.616 6.941 1.871) 7.215 3.177 ( -2.469 0.922 1.024) 2.827 3.271 ( -2.187 2.920 2.418) 4.376 3.356 ( 3.202 -3.550 1.855) 5.128 3.384 ( 3.179 3.457 -3.301) 5.740 3.488 ( 0.678 -4.975 -0.383) 5.035 3.577 ( -0.098 2.273 -0.065) 2.276 3.606 ( 5.089 0.745 0.724) 5.194 3.706 ( -4.971 0.536 -1.987) 5.380 3.743 ( -2.550 -2.130 2.139) 3.952 3.809 ( -1.354 0.136 -2.648) 2.977 3.852 ( 0.164 -4.069 -4.390) 5.988 4.053 ( -4.446 7.463 0.354) 8.694 4.144 ( -3.868 4.106 3.837) 6.822 4.173 ( -1.419 -2.489 0.237) 2.875 4.218 ( -5.480 -2.739 2.324) 6.552 4.463 ( -1.617 -1.686 -4.041) 4.668 4.484 ( -4.278 -0.884 -2.853) 5.218 4.529 ( -2.518 1.755 3.569) 4.707 4.604 ( 1.053 -2.386 -3.796) 4.606 4.707 ( -0.468 0.265 4.016) 4.052 4.778 ( -4.042 -5.398 3.776) 7.729 5.010 ( 3.915 3.306 -2.900) 5.888 5.090 ( 3.590 -4.125 -4.410) 7.025 5.451 ( -3.287 1.711 2.384) 4.407 5.486 ( -4.016 -1.653 0.903) 4.436 5.791 ( -3.861 3.061 -0.257) 4.934 5.839 ( -3.837 -0.880 -0.804) 4.018 5.948 ( -5.595 0.168 2.368) 6.078 5.974 ( -0.017 -2.412 1.328) 2.754 6.069 ( -0.004 4.134 -0.634) 4.182 6.148 ( -0.778 -1.604 -0.669) 1.904 6.268 ( -1.566 -2.324 2.436) 3.713 6.292 ( -1.110 -5.916 -1.593) 6.227 6.570 ( 0.201 2.676 -4.199) 4.983 6.614 ( 1.787 -1.719 -3.312) 4.138 6.852 ( 7.281 4.075 0.784) 8.381 6.950 ( 7.995 -4.568 4.730) 10.352 7.000 ( -3.178 0.189 -2.277) 3.914 7.007 ( -2.138 -0.684 -2.760) 3.558 7.532 ( 2.784 7.514 2.840) 8.502 7.580 ( 3.416 4.352 5.674) 7.925 7.854 ( 1.510 2.337 -1.491) 3.157 7.953 ( 3.894 -5.621 -0.266) 6.843 8.056 ( -2.661 2.048 -0.058) 3.358 8.181 ( -2.606 -9.429 -0.504) 9.795 8.720 ( 7.426 3.752 -1.102) 8.393 8.799 ( 7.951 -3.978 -1.011) 8.948 10.336 ( -6.583 0.338 0.356) 6.602 10.348 ( -5.925 -0.963 0.634) 6.036 11.442 ( 12.695 0.718 -1.529) 12.807 11.478 ( 12.159 -2.409 -1.659) 12.506 11.920 ( -2.200 8.213 0.608) 8.524 12.075 ( -6.427 -6.491 2.194) 9.395 12.879 ( 3.133 4.475 0.704) 5.508 12.954 ( 3.996 -2.905 -0.097) 4.941 14.699 ( -1.827 2.909 -0.259) 3.445 14.756 ( -3.281 -2.512 1.175) 4.296 15.428 ( -3.673 1.995 -4.170) 5.904 15.450 ( -3.059 -0.498 -4.300) 5.301 16.059 ( -0.636 2.507 4.043) 4.800 16.114 ( -1.187 -2.719 5.352) 6.119 16.336 ( -1.467 4.800 -1.101) 5.138 16.438 ( -3.304 -4.984 -1.499) 6.165 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 6.424 8.387 3.939) 11.275 1.219 ( 1.890 1.988 7.618) 8.097 1.303 ( 6.862 -1.507 5.134) 8.702 1.362 ( 2.879 -5.854 -2.090) 6.850 1.504 ( 0.275 4.348 -4.038) 5.940 1.591 ( -1.469 -3.471 -2.343) 4.438 1.828 ( -0.176 2.554 -1.620) 3.029 1.869 ( -2.325 -1.199 -1.345) 2.941 2.036 ( -0.041 4.304 -2.980) 5.235 2.115 ( 3.572 1.675 -1.397) 4.186 2.147 ( 1.154 -3.352 2.839) 4.542 2.180 ( 4.597 -2.395 -3.711) 6.375 2.376 ( -3.793 4.934 2.943) 6.885 2.424 ( -4.451 0.827 2.581) 5.212 2.724 ( -2.238 3.793 0.236) 4.410 2.758 ( -1.729 -0.501 0.441) 1.853 2.824 ( -2.007 5.272 1.106) 5.749 2.899 ( -0.763 1.762 -1.768) 2.610 2.933 ( 0.543 -0.178 -1.547) 1.650 2.952 ( -1.217 -3.927 1.015) 4.235 3.043 ( -5.311 3.425 0.544) 6.343 3.114 ( -4.139 -2.949 0.776) 5.141 3.290 ( 1.811 7.050 1.371) 7.407 3.381 ( -0.768 -0.759 -0.836) 1.365 3.440 ( 1.115 2.960 -1.038) 3.330 3.485 ( 1.451 -2.109 0.611) 2.632 3.562 ( -0.674 2.195 -0.155) 2.301 3.618 ( -1.301 -1.689 -0.554) 2.203 3.701 ( 1.049 1.923 0.387) 2.224 3.728 ( -2.487 0.119 0.001) 2.490 3.793 ( 3.594 -0.793 -1.901) 4.143 3.843 ( -1.831 -3.912 -0.717) 4.378 3.991 ( -0.883 7.981 0.496) 8.045 4.107 ( -1.164 2.528 2.154) 3.519 4.149 ( -0.999 -0.709 0.402) 1.289 4.163 ( 0.748 -5.422 0.856) 5.539 4.375 ( -5.688 -0.847 -0.098) 5.752 4.417 ( -3.884 -4.891 -1.563) 6.439 4.496 ( -0.362 5.955 0.391) 5.979 4.607 ( 0.156 -2.030 -3.418) 3.978 4.706 ( -0.552 -2.307 2.113) 3.177 4.730 ( -1.281 -3.350 2.895) 4.610 5.116 ( 7.008 2.883 -2.896) 8.113 5.172 ( 5.574 -2.431 -4.460) 7.541 5.378 ( -4.918 1.053 3.050) 5.882 5.411 ( -4.362 -2.418 2.094) 5.410 5.720 ( -2.698 1.257 0.915) 3.114 5.761 ( -3.838 -2.323 -0.623) 4.529 5.878 ( -1.780 4.109 1.039) 4.597 5.984 ( 0.984 -5.786 0.120) 5.870 6.067 ( 0.163 3.629 -1.581) 3.962 6.117 ( -1.950 0.280 0.772) 2.116 6.226 ( -2.603 -3.587 2.404) 5.043 6.247 ( -2.809 -6.756 -0.910) 7.373 6.583 ( 1.470 4.960 -3.969) 6.520 6.653 ( 2.244 -1.739 -2.751) 3.954 6.911 ( -1.500 1.099 -0.754) 2.007 6.931 ( -2.645 -0.837 0.282) 2.789 7.039 ( 6.234 1.615 -1.972) 6.735 7.106 ( 4.934 -4.737 4.534) 8.206 7.596 ( 2.904 9.189 2.752) 10.022 7.653 ( 2.820 6.570 4.530) 8.464 7.864 ( -0.507 3.448 0.232) 3.493 7.975 ( -2.996 -3.979 -4.445) 6.675 8.032 ( 1.605 -2.834 0.136) 3.260 8.110 ( -2.993 -8.775 -0.153) 9.273 8.857 ( 5.948 2.940 -0.780) 6.681 8.928 ( 4.673 -3.865 -0.547) 6.089 10.241 ( -3.144 0.407 0.066) 3.171 10.265 ( -2.744 -2.177 0.571) 3.549 11.611 ( 4.177 1.305 -0.979) 4.484 11.628 ( 3.629 -0.147 -1.654) 3.991 11.936 ( 3.377 2.646 0.304) 4.301 12.009 ( -0.735 -4.171 2.192) 4.769 12.926 ( 1.460 5.329 0.477) 5.546 13.009 ( 1.730 -2.813 -0.043) 3.302 14.667 ( -1.146 1.473 -0.390) 1.906 14.699 ( -2.475 -1.538 1.017) 3.086 15.359 ( -2.331 2.523 -2.626) 4.324 15.391 ( -1.969 -0.949 -2.695) 3.470 16.067 ( 0.553 1.914 3.206) 3.775 16.111 ( -0.081 -2.210 3.212) 3.900 16.304 ( -1.251 2.897 -0.671) 3.226 16.362 ( -3.695 -2.698 -1.537) 4.827 ======================= Grid point 31 (20/72) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 5.472 -0.000) 5.472 1.249 ( 0.000 1.979 0.000) 1.979 1.401 ( 0.000 -0.811 -0.000) 0.811 1.418 ( 0.000 -2.937 0.000) 2.937 1.484 ( 0.000 2.451 -0.000) 2.451 1.563 ( 0.000 -4.831 0.000) 4.831 1.820 ( 0.000 1.464 0.000) 1.464 1.837 ( 0.000 -0.227 -0.000) 0.227 2.027 ( 0.000 4.540 0.000) 4.540 2.128 ( 0.000 -4.287 0.000) 4.287 2.246 ( -0.000 3.724 0.000) 3.724 2.258 ( 0.000 2.152 -0.000) 2.152 2.284 ( 0.000 4.070 -0.000) 4.070 2.340 ( 0.000 -0.423 -0.000) 0.423 2.695 ( 0.000 2.706 0.000) 2.706 2.722 ( 0.000 -0.905 -0.000) 0.905 2.836 ( 0.000 5.288 -0.000) 5.288 2.885 ( 0.000 2.891 -0.000) 2.891 2.932 ( 0.000 1.621 0.000) 1.621 2.939 ( 0.000 -0.168 -0.000) 0.168 2.996 ( 0.000 -2.894 0.000) 2.894 3.061 ( -0.000 -5.928 -0.000) 5.928 3.311 ( 0.000 5.265 0.000) 5.265 3.366 ( 0.000 0.977 -0.000) 0.977 3.431 ( 0.000 3.430 0.000) 3.430 3.515 ( 0.000 -3.659 0.000) 3.659 3.589 ( 0.000 3.636 0.000) 3.636 3.592 ( -0.000 1.773 -0.000) 1.773 3.667 ( 0.000 -0.040 0.000) 0.040 3.727 ( 0.000 -3.892 -0.000) 3.892 3.809 ( 0.000 1.975 0.000) 1.975 3.840 ( 0.000 -1.694 -0.000) 1.694 3.997 ( 0.000 8.496 -0.000) 8.496 4.097 ( 0.000 2.688 -0.000) 2.688 4.137 ( 0.000 -0.030 -0.000) 0.030 4.207 ( 0.000 -7.340 -0.000) 7.340 4.313 ( 0.000 -3.281 0.000) 3.281 4.340 ( 0.000 -3.307 -0.000) 3.307 4.500 ( 0.000 5.716 -0.000) 5.716 4.604 ( 0.000 -1.273 -0.000) 1.273 4.700 ( 0.000 -1.983 0.000) 1.983 4.725 ( 0.000 -3.361 -0.000) 3.361 5.223 ( -0.000 5.576 0.000) 5.576 5.259 ( 0.000 1.599 0.000) 1.599 5.290 ( 0.000 -1.611 -0.000) 1.611 5.342 ( -0.000 -5.674 0.000) 5.674 5.706 ( -0.000 -1.473 -0.000) 1.473 5.706 ( 0.000 -1.663 0.000) 1.663 5.866 ( 0.000 5.722 -0.000) 5.722 5.999 ( 0.000 -6.644 0.000) 6.644 6.071 ( -0.000 3.292 0.000) 3.292 6.093 ( 0.000 0.832 -0.000) 0.832 6.202 ( 0.000 -5.481 -0.000) 5.481 6.207 ( 0.000 -5.755 -0.000) 5.755 6.596 ( 0.000 5.978 -0.000) 5.978 6.675 ( 0.000 -1.535 -0.000) 1.535 6.890 ( 0.000 0.224 -0.000) 0.224 6.903 ( 0.000 -1.134 -0.000) 1.134 7.115 ( 0.000 0.283 -0.000) 0.283 7.154 ( 0.000 -3.561 -0.000) 3.561 7.637 ( 0.000 10.657 0.000) 10.657 7.685 ( 0.000 9.570 -0.000) 9.570 7.873 ( -0.000 1.775 -0.000) 1.775 7.905 ( 0.000 -5.910 0.000) 5.910 8.043 ( 0.000 -3.077 -0.000) 3.077 8.091 ( 0.000 -8.462 -0.000) 8.462 8.921 ( 0.000 1.935 0.000) 1.935 8.972 ( 0.000 -2.870 0.000) 2.870 10.211 ( 0.000 0.379 0.000) 0.379 10.239 ( 0.000 -2.679 -0.000) 2.679 11.641 ( 0.000 2.108 -0.000) 2.108 11.652 ( 0.000 0.205 0.000) 0.205 11.987 ( -0.000 0.513 0.000) 0.513 12.013 ( 0.000 -3.240 -0.000) 3.240 12.940 ( 0.000 5.568 -0.000) 5.568 13.025 ( 0.000 -2.720 -0.000) 2.720 14.656 ( 0.000 0.688 -0.000) 0.688 14.673 ( 0.000 -0.968 -0.000) 0.968 15.333 ( 0.000 2.656 0.000) 2.656 15.369 ( 0.000 -1.138 -0.000) 1.138 16.080 ( 0.000 1.578 -0.000) 1.578 16.115 ( 0.000 -1.750 -0.000) 1.750 16.298 ( -0.000 0.757 -0.000) 0.757 16.310 ( 0.000 -0.610 0.000) 0.610 ======================= Grid point 63 (21/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -13.530 0.000 17.647) 22.237 0.452 ( -2.568 0.000 20.588) 20.748 0.805 ( -0.240 0.000 36.889) 36.890 0.996 ( 6.653 0.000 -9.567) 11.653 1.161 ( 1.716 0.000 -10.917) 11.051 1.316 ( -1.456 0.000 5.024) 5.231 1.463 ( 0.627 0.000 -1.270) 1.416 1.653 ( 5.881 0.000 3.834) 7.020 1.959 ( 2.434 0.000 1.203) 2.715 2.047 ( -2.863 0.000 -4.253) 5.127 2.288 ( 1.116 0.000 3.239) 3.426 2.327 ( -0.148 0.000 -7.369) 7.371 2.332 ( 0.100 0.000 -2.932) 2.934 2.489 ( 0.893 0.000 -2.644) 2.790 2.634 ( -1.844 0.000 6.760) 7.007 2.760 ( 2.798 0.000 -0.145) 2.802 2.840 ( -3.169 0.000 0.759) 3.259 2.892 ( 0.106 0.000 0.677) 0.685 2.947 ( -2.443 0.000 -4.003) 4.690 3.088 ( 3.819 0.000 0.720) 3.886 3.095 ( -3.583 0.000 -2.717) 4.496 3.124 ( 1.426 0.000 -2.395) 2.788 3.211 ( 4.299 0.000 1.897) 4.699 3.229 ( 4.153 0.000 0.407) 4.173 3.462 ( 1.159 0.000 1.349) 1.779 3.462 ( 0.898 0.000 -4.277) 4.371 3.521 ( -6.798 0.000 -0.428) 6.811 3.630 ( 12.279 0.000 -0.265) 12.282 3.696 ( -3.549 0.000 -1.982) 4.064 3.810 ( 9.910 0.000 -3.531) 10.520 3.946 ( -0.074 0.000 -0.528) 0.534 3.951 ( 5.983 0.000 -2.695) 6.562 4.127 ( -3.212 0.000 3.599) 4.824 4.166 ( 0.939 0.000 3.066) 3.207 4.218 ( 2.096 0.000 0.434) 2.140 4.233 ( 10.351 0.000 -1.204) 10.421 4.355 ( 3.651 0.000 -4.841) 6.064 4.379 ( -5.229 0.000 -6.485) 8.330 4.557 ( -8.503 0.000 4.879) 9.803 4.640 ( 3.105 0.000 0.412) 3.133 4.974 ( -0.368 0.000 8.879) 8.887 5.000 ( 5.229 0.000 4.394) 6.830 5.165 ( 0.344 0.000 3.130) 3.149 5.190 ( -1.826 0.000 2.755) 3.305 5.380 ( 1.628 0.000 -4.164) 4.471 5.389 ( -2.148 0.000 -6.836) 7.166 5.684 ( -1.042 0.000 1.233) 1.614 5.714 ( -0.964 0.000 3.752) 3.874 6.051 ( -3.203 0.000 -0.427) 3.231 6.088 ( -2.642 0.000 0.936) 2.803 6.101 ( 1.296 0.000 -1.954) 2.345 6.150 ( 5.225 0.000 -0.839) 5.292 6.245 ( 6.896 0.000 3.030) 7.532 6.383 ( -7.122 0.000 -3.641) 7.998 6.687 ( 1.576 0.000 2.400) 2.871 6.799 ( -2.321 0.000 -1.092) 2.565 6.922 ( -8.286 0.000 -4.259) 9.316 6.933 ( 0.228 0.000 -2.831) 2.840 7.029 ( 3.610 0.000 1.542) 3.925 7.072 ( -8.102 0.000 0.662) 8.129 7.159 ( 2.396 0.000 3.387) 4.149 7.283 ( -18.073 0.000 -2.015) 18.185 7.913 ( 3.313 0.000 0.013) 3.313 7.966 ( -9.351 0.000 -3.167) 9.872 8.203 ( 13.093 0.000 3.605) 13.580 8.331 ( -5.005 0.000 -2.185) 5.461 8.683 ( 5.269 0.000 2.755) 5.946 8.767 ( -1.017 0.000 -0.611) 1.186 10.582 ( -0.089 0.000 0.173) 0.194 10.585 ( 0.035 0.000 0.070) 0.079 11.060 ( -3.804 0.000 1.620) 4.135 11.153 ( 32.589 0.000 -1.919) 32.646 11.874 ( 0.223 0.000 0.142) 0.265 11.885 ( -5.326 0.000 -0.277) 5.333 12.611 ( 0.347 0.000 0.933) 0.995 12.651 ( -0.213 0.000 -0.571) 0.610 14.949 ( -9.956 0.000 0.436) 9.965 14.959 ( 2.623 0.000 -0.164) 2.628 15.026 ( -8.359 0.000 5.452) 9.980 15.401 ( -1.474 0.000 -9.662) 9.774 15.977 ( 2.301 0.000 5.487) 5.950 16.148 ( -1.523 0.000 -2.206) 2.681 16.818 ( -1.684 0.000 0.312) 1.713 16.819 ( 13.112 0.000 0.302) 13.115 ======================= Grid point 64 (22/72) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 18.416 0.000 5.353) 19.178 0.592 ( 10.979 0.000 14.611) 18.276 0.952 ( 6.443 0.000 26.716) 27.481 1.161 ( 9.651 0.000 -5.178) 10.953 1.242 ( 8.486 0.000 -6.509) 10.694 1.326 ( 1.680 0.000 3.731) 4.092 1.496 ( 2.529 0.000 -1.367) 2.875 1.771 ( 4.614 0.000 4.316) 6.318 1.908 ( -7.734 0.000 -8.872) 11.770 1.966 ( -2.218 0.000 2.676) 3.476 2.210 ( -7.727 0.000 -6.565) 10.139 2.241 ( -3.366 0.000 2.317) 4.086 2.374 ( 1.446 0.000 -1.837) 2.338 2.470 ( -2.239 0.000 -2.661) 3.478 2.627 ( -0.152 0.000 5.336) 5.338 2.800 ( -1.352 0.000 2.510) 2.850 2.827 ( 2.770 0.000 -0.624) 2.839 2.884 ( -0.871 0.000 -4.014) 4.107 2.927 ( 1.487 0.000 0.801) 1.689 2.941 ( -8.915 0.000 -3.343) 9.521 3.109 ( -1.945 0.000 1.186) 2.278 3.155 ( 2.604 0.000 -2.116) 3.355 3.230 ( -1.408 0.000 -1.274) 1.899 3.258 ( -1.655 0.000 4.524) 4.817 3.421 ( -3.732 0.000 3.711) 5.263 3.487 ( 2.839 0.000 -6.434) 7.033 3.488 ( 1.246 0.000 -3.708) 3.912 3.581 ( -6.260 0.000 -3.127) 6.997 3.639 ( -5.609 0.000 2.367) 6.088 3.791 ( -2.775 0.000 -7.878) 8.353 3.930 ( -0.026 0.000 -3.636) 3.637 3.988 ( -8.086 0.000 -0.252) 8.090 4.022 ( -3.896 0.000 -2.622) 4.696 4.126 ( -5.416 0.000 3.520) 6.459 4.186 ( -3.371 0.000 2.474) 4.182 4.282 ( 2.441 0.000 -7.912) 8.280 4.415 ( -3.931 0.000 3.212) 5.076 4.501 ( 9.329 0.000 -6.454) 11.344 4.655 ( 9.574 0.000 1.713) 9.726 4.664 ( -1.687 0.000 3.181) 3.601 4.998 ( 1.258 0.000 6.859) 6.974 5.076 ( 1.377 0.000 3.020) 3.319 5.143 ( -3.409 0.000 2.858) 4.448 5.199 ( 3.541 0.000 -0.230) 3.548 5.390 ( 0.350 0.000 -3.302) 3.321 5.408 ( 2.008 0.000 -7.000) 7.282 5.645 ( -2.810 0.000 1.343) 3.115 5.710 ( 0.737 0.000 -0.953) 1.205 5.956 ( -3.956 0.000 2.196) 4.524 6.071 ( -2.135 0.000 -0.573) 2.211 6.072 ( 0.385 0.000 -2.445) 2.475 6.172 ( -5.401 0.000 0.224) 5.406 6.380 ( 5.018 0.000 5.669) 7.571 6.425 ( 12.345 0.000 -5.569) 13.543 6.532 ( -13.496 0.000 9.050) 16.250 6.686 ( -2.348 0.000 3.256) 4.014 6.804 ( 0.198 0.000 0.119) 0.231 6.906 ( -1.730 0.000 1.254) 2.137 6.960 ( -1.457 0.000 -2.798) 3.154 7.059 ( 1.622 0.000 1.939) 2.528 7.204 ( 1.338 0.000 1.683) 2.150 7.249 ( 3.258 0.000 2.824) 4.312 7.891 ( -0.297 0.000 -0.965) 1.010 8.020 ( 3.531 0.000 -0.030) 3.531 8.352 ( 9.193 0.000 -3.336) 9.779 8.371 ( 1.220 0.000 9.105) 9.187 8.700 ( -4.650 0.000 -1.564) 4.906 8.797 ( 5.762 0.000 -6.175) 8.446 10.473 ( -8.404 0.000 -0.739) 8.437 10.550 ( -0.927 0.000 -1.789) 2.015 11.181 ( 12.433 0.000 -1.113) 12.482 11.571 ( 1.665 0.000 1.535) 2.265 11.858 ( -1.016 0.000 1.805) 2.071 12.061 ( 19.790 0.000 -25.002) 31.887 12.650 ( 3.404 0.000 0.220) 3.411 12.658 ( 0.919 0.000 -0.762) 1.194 14.671 ( -10.104 0.000 9.729) 14.027 14.981 ( -0.672 0.000 1.142) 1.325 15.032 ( 0.605 0.000 7.552) 7.576 15.367 ( 0.001 0.000 -8.170) 8.170 16.036 ( 2.487 0.000 5.609) 6.136 16.111 ( -1.552 0.000 -3.370) 3.710 16.698 ( -13.946 0.000 10.225) 17.293 16.711 ( -8.398 0.000 -3.317) 9.030 ======================= Grid point 65 (23/72) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 12.875 0.000 8.594) 15.480 0.862 ( 16.783 0.000 1.283) 16.832 1.121 ( 6.668 0.000 8.476) 10.785 1.281 ( 2.935 0.000 -5.661) 6.377 1.405 ( 5.584 0.000 1.890) 5.895 1.437 ( 9.991 0.000 -0.369) 9.998 1.530 ( 1.738 0.000 -2.469) 3.019 1.763 ( -4.152 0.000 -5.937) 7.245 1.829 ( -0.448 0.000 -2.158) 2.204 1.898 ( -4.718 0.000 0.445) 4.739 2.060 ( -5.565 0.000 -4.470) 7.138 2.178 ( -3.209 0.000 4.157) 5.252 2.354 ( -2.883 0.000 -1.838) 3.419 2.415 ( -3.419 0.000 -1.589) 3.770 2.654 ( 1.692 0.000 6.974) 7.176 2.704 ( -7.252 0.000 -1.853) 7.485 2.820 ( -2.049 0.000 3.394) 3.965 2.853 ( -1.727 0.000 -1.206) 2.107 2.884 ( 1.932 0.000 1.148) 2.247 2.964 ( -0.234 0.000 -2.198) 2.211 3.075 ( -0.264 0.000 2.950) 2.962 3.167 ( -2.159 0.000 -3.264) 3.913 3.214 ( -0.878 0.000 1.171) 1.463 3.242 ( 3.429 0.000 -0.322) 3.444 3.313 ( -5.489 0.000 1.811) 5.780 3.461 ( -2.545 0.000 -6.918) 7.371 3.473 ( -3.516 0.000 3.996) 5.323 3.561 ( -0.381 0.000 2.297) 2.328 3.600 ( 6.139 0.000 -6.766) 9.136 3.699 ( -4.682 0.000 -4.901) 6.778 3.880 ( -2.563 0.000 -0.583) 2.629 3.921 ( -2.103 0.000 -1.706) 2.708 3.957 ( -2.238 0.000 0.035) 2.238 4.049 ( -1.552 0.000 2.035) 2.559 4.099 ( -4.723 0.000 1.623) 4.995 4.297 ( 0.648 0.000 -5.855) 5.891 4.370 ( -2.205 0.000 2.620) 3.424 4.578 ( -6.870 0.000 3.164) 7.564 4.630 ( 4.753 0.000 -5.862) 7.547 4.737 ( 0.626 0.000 10.277) 10.296 5.026 ( -3.046 0.000 -0.877) 3.170 5.062 ( -4.085 0.000 2.046) 4.569 5.088 ( 1.452 0.000 7.001) 7.150 5.274 ( 1.726 0.000 -2.100) 2.718 5.378 ( -1.790 0.000 -0.497) 1.858 5.396 ( -0.125 0.000 -8.519) 8.520 5.601 ( -1.383 0.000 0.367) 1.431 5.712 ( 0.882 0.000 -2.939) 3.069 5.921 ( -0.709 0.000 -0.530) 0.885 6.001 ( -6.109 0.000 -1.101) 6.207 6.096 ( -0.106 0.000 -0.808) 0.815 6.132 ( 6.136 0.000 -4.378) 7.538 6.400 ( -1.620 0.000 2.200) 2.732 6.475 ( 2.258 0.000 5.623) 6.059 6.584 ( -3.137 0.000 6.812) 7.500 6.676 ( 5.852 0.000 -3.980) 7.077 6.826 ( 1.475 0.000 0.122) 1.480 6.892 ( -0.243 0.000 4.280) 4.287 6.952 ( 0.936 0.000 -2.140) 2.336 7.114 ( 2.441 0.000 2.904) 3.793 7.244 ( 1.997 0.000 2.174) 2.951 7.324 ( 6.597 0.000 -1.911) 6.868 7.884 ( -2.224 0.000 6.175) 6.564 8.023 ( -1.353 0.000 -7.893) 8.008 8.341 ( -4.136 0.000 7.091) 8.209 8.488 ( -0.601 0.000 -6.110) 6.139 8.707 ( 8.440 0.000 5.517) 10.083 8.898 ( 5.467 0.000 -4.905) 7.345 10.332 ( -5.024 0.000 -0.884) 5.102 10.536 ( -0.179 0.000 -3.543) 3.547 11.403 ( 8.286 0.000 -3.437) 8.970 11.526 ( -4.845 0.000 8.011) 9.362 11.893 ( 4.690 0.000 6.671) 8.155 12.290 ( 9.591 0.000 -21.039) 23.122 12.676 ( 0.946 0.000 -0.866) 1.282 12.720 ( 3.210 0.000 -1.293) 3.461 14.587 ( -1.305 0.000 4.934) 5.104 14.944 ( -2.858 0.000 -0.433) 2.890 15.057 ( 0.200 0.000 9.018) 9.020 15.370 ( 1.503 0.000 -4.489) 4.734 16.076 ( -1.190 0.000 -4.204) 4.369 16.091 ( 1.949 0.000 4.432) 4.842 16.490 ( -9.298 0.000 10.398) 13.949 16.512 ( -9.755 0.000 -7.041) 12.030 ======================= Grid point 66 (24/72) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 2.761 0.000 -0.357) 2.784 1.078 ( 5.664 0.000 3.498) 6.657 1.256 ( 7.646 0.000 -4.029) 8.643 1.299 ( 2.725 0.000 -7.640) 8.111 1.505 ( 3.634 0.000 -2.651) 4.498 1.527 ( 2.012 0.000 4.241) 4.694 1.637 ( 6.885 0.000 -8.502) 10.940 1.675 ( -5.776 0.000 -1.914) 6.085 1.745 ( -8.967 0.000 -5.348) 10.441 1.776 ( -2.122 0.000 -6.214) 6.566 2.033 ( 1.801 0.000 5.446) 5.736 2.160 ( 0.885 0.000 5.375) 5.447 2.273 ( -4.500 0.000 -1.074) 4.626 2.296 ( -7.640 0.000 1.170) 7.729 2.641 ( 0.333 0.000 0.018) 0.334 2.695 ( 0.240 0.000 7.356) 7.359 2.788 ( -1.917 0.000 5.614) 5.932 2.811 ( -2.399 0.000 0.721) 2.505 2.933 ( -0.249 0.000 0.299) 0.389 2.935 ( 3.224 0.000 0.946) 3.360 3.069 ( -1.541 0.000 2.649) 3.065 3.097 ( -3.243 0.000 -3.352) 4.664 3.230 ( 0.139 0.000 -1.683) 1.689 3.297 ( 3.241 0.000 0.875) 3.357 3.328 ( 5.252 0.000 -3.481) 6.301 3.420 ( -0.304 0.000 -3.466) 3.479 3.422 ( -2.976 0.000 8.516) 9.021 3.583 ( 0.044 0.000 -0.100) 0.109 3.645 ( 1.085 0.000 -2.361) 2.598 3.675 ( 2.501 0.000 -4.350) 5.017 3.842 ( -3.587 0.000 2.075) 4.144 3.872 ( 1.115 0.000 -0.292) 1.153 3.909 ( -2.742 0.000 0.330) 2.762 4.024 ( -2.952 0.000 0.818) 3.063 4.089 ( 3.486 0.000 0.902) 3.601 4.275 ( -2.682 0.000 -3.063) 4.071 4.343 ( -0.001 0.000 0.877) 0.877 4.456 ( -4.449 0.000 0.428) 4.470 4.678 ( 1.836 0.000 -5.098) 5.418 4.745 ( -2.147 0.000 7.984) 8.268 4.924 ( -9.292 0.000 2.095) 9.525 4.946 ( -2.450 0.000 -2.146) 3.257 5.160 ( 1.610 0.000 3.686) 4.022 5.247 ( -1.606 0.000 -0.112) 1.610 5.312 ( -3.853 0.000 3.217) 5.019 5.423 ( 4.174 0.000 -10.631) 11.421 5.595 ( 0.326 0.000 0.130) 0.351 5.738 ( 1.280 0.000 -3.826) 4.034 5.882 ( -4.884 0.000 -1.163) 5.021 5.910 ( -0.112 0.000 -2.902) 2.905 6.126 ( 2.653 0.000 -1.364) 2.983 6.200 ( -0.127 0.000 -2.664) 2.667 6.477 ( 9.410 0.000 -0.882) 9.452 6.485 ( -6.702 0.000 7.301) 9.910 6.534 ( 3.868 0.000 2.686) 4.709 6.729 ( -0.159 0.000 0.500) 0.525 6.844 ( 0.089 0.000 0.059) 0.107 6.907 ( 0.576 0.000 1.326) 1.446 6.981 ( 1.856 0.000 0.079) 1.858 7.127 ( -1.037 0.000 1.863) 2.132 7.286 ( 1.807 0.000 3.109) 3.596 7.524 ( 10.965 0.000 -2.398) 11.225 7.784 ( -10.435 0.000 13.718) 17.236 7.963 ( -0.798 0.000 -12.201) 12.227 8.292 ( -1.272 0.000 1.262) 1.792 8.438 ( -1.499 0.000 -5.960) 6.145 8.873 ( 4.912 0.000 6.034) 7.781 8.981 ( 3.599 0.000 -2.208) 4.223 10.277 ( -0.797 0.000 0.736) 1.085 10.523 ( -0.388 0.000 -4.725) 4.741 11.444 ( -4.699 0.000 6.716) 8.197 11.486 ( 2.411 0.000 -3.442) 4.203 12.029 ( 5.270 0.000 8.210) 9.756 12.403 ( 5.997 0.000 -13.188) 14.487 12.691 ( 0.827 0.000 -0.492) 0.962 12.761 ( 1.276 0.000 -1.585) 2.035 14.603 ( 1.746 0.000 2.169) 2.785 14.882 ( -2.791 0.000 -2.561) 3.788 15.078 ( 0.068 0.000 10.484) 10.485 15.400 ( 2.028 0.000 -1.612) 2.591 16.047 ( -0.845 0.000 -4.910) 4.982 16.112 ( -1.253 0.000 -0.340) 1.299 16.352 ( -3.754 0.000 -4.824) 6.113 16.361 ( -5.989 0.000 7.143) 9.321 ======================= Grid point 67 (25/72) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -7.790 0.000 -7.345) 10.707 1.074 ( -2.833 0.000 -5.089) 5.824 1.374 ( 4.185 0.000 -2.557) 4.905 1.387 ( 3.585 0.000 -1.756) 3.992 1.469 ( -8.428 0.000 -1.248) 8.519 1.504 ( -4.512 0.000 -3.048) 5.445 1.590 ( 2.213 0.000 -6.126) 6.513 1.656 ( 1.706 0.000 -0.056) 1.707 1.741 ( 4.546 0.000 -6.116) 7.620 1.746 ( -0.495 0.000 -6.178) 6.198 2.094 ( 2.914 0.000 7.054) 7.632 2.167 ( -3.586 0.000 0.878) 3.692 2.181 ( -3.514 0.000 1.548) 3.840 2.259 ( 5.121 0.000 4.850) 7.053 2.669 ( 2.286 0.000 1.010) 2.500 2.688 ( -1.645 0.000 2.308) 2.835 2.787 ( 0.563 0.000 8.074) 8.094 2.792 ( 1.144 0.000 3.147) 3.348 2.956 ( 1.121 0.000 2.763) 2.982 2.976 ( -0.909 0.000 -1.166) 1.479 3.048 ( -0.724 0.000 1.607) 1.763 3.064 ( 1.264 0.000 -1.133) 1.697 3.180 ( -5.384 0.000 -2.189) 5.812 3.333 ( -0.815 0.000 1.744) 1.925 3.405 ( 2.409 0.000 -4.975) 5.528 3.420 ( 1.905 0.000 7.545) 7.782 3.420 ( 0.308 0.000 -4.948) 4.957 3.572 ( -0.551 0.000 2.355) 2.419 3.676 ( 1.295 0.000 -1.825) 2.237 3.694 ( 1.194 0.000 -1.065) 1.600 3.840 ( 2.462 0.000 2.489) 3.501 3.858 ( -2.407 0.000 0.054) 2.407 3.909 ( 1.587 0.000 -1.052) 1.904 3.994 ( -0.211 0.000 0.450) 0.497 4.100 ( -2.757 0.000 5.239) 5.920 4.192 ( -4.306 0.000 -2.118) 4.799 4.388 ( 4.790 0.000 -1.619) 5.056 4.442 ( 1.849 0.000 -3.930) 4.343 4.669 ( -6.223 0.000 6.324) 8.872 4.728 ( 5.604 0.000 -1.161) 5.723 4.788 ( -3.646 0.000 -1.824) 4.077 4.941 ( 2.079 0.000 -2.803) 3.490 5.112 ( -4.761 0.000 1.827) 5.100 5.249 ( 1.301 0.000 2.579) 2.889 5.300 ( 0.269 0.000 2.771) 2.784 5.497 ( 5.008 0.000 -8.831) 10.153 5.591 ( -1.083 0.000 1.387) 1.759 5.727 ( -1.345 0.000 -4.015) 4.234 5.825 ( -0.471 0.000 -1.110) 1.206 5.898 ( -0.502 0.000 -4.608) 4.635 6.159 ( -2.395 0.000 -3.528) 4.265 6.176 ( 1.990 0.000 -0.762) 2.131 6.373 ( -5.202 0.000 4.757) 7.049 6.601 ( 3.860 0.000 10.366) 11.061 6.715 ( -0.736 0.000 1.445) 1.622 6.728 ( 11.429 0.000 -9.513) 14.870 6.833 ( 0.244 0.000 0.887) 0.920 6.905 ( -0.777 0.000 -0.795) 1.112 7.012 ( 0.817 0.000 2.261) 2.404 7.099 ( -1.976 0.000 0.065) 1.977 7.320 ( -0.495 0.000 6.326) 6.346 7.565 ( -12.012 0.000 11.919) 16.922 7.574 ( -4.743 0.000 -6.242) 7.840 8.070 ( 12.886 0.000 -5.002) 13.823 8.282 ( -0.525 0.000 0.184) 0.556 8.394 ( -2.410 0.000 -6.659) 7.082 8.914 ( -1.408 0.000 4.692) 4.899 9.030 ( 1.710 0.000 -0.596) 1.811 10.290 ( 1.386 0.000 2.467) 2.829 10.500 ( -0.825 0.000 -6.049) 6.105 11.374 ( -3.524 0.000 4.702) 5.876 11.528 ( 2.946 0.000 -1.518) 3.314 12.066 ( -3.574 0.000 6.201) 7.157 12.477 ( 3.808 0.000 -8.971) 9.746 12.708 ( 0.855 0.000 0.453) 0.967 12.760 ( -1.116 0.000 -2.240) 2.502 14.656 ( 3.078 0.000 1.963) 3.651 14.832 ( -1.444 0.000 -4.157) 4.400 15.104 ( 0.340 0.000 12.301) 12.305 15.438 ( 1.968 0.000 -0.926) 2.175 16.021 ( -0.777 0.000 -5.513) 5.567 16.037 ( -4.455 0.000 -5.085) 6.760 16.279 ( -3.585 0.000 4.728) 5.933 16.364 ( 4.305 0.000 0.119) 4.306 ======================= Grid point 68 (26/72) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -11.292 0.000 -3.596) 11.851 1.027 ( -1.611 0.000 -0.288) 1.637 1.271 ( -9.500 0.000 -0.212) 9.502 1.350 ( -5.894 0.000 -5.773) 8.250 1.380 ( -3.142 0.000 -3.087) 4.404 1.452 ( -1.005 0.000 -0.404) 1.084 1.650 ( -3.560 0.000 0.908) 3.674 1.673 ( 0.992 0.000 -2.002) 2.234 1.745 ( 5.828 0.000 -8.119) 9.994 1.796 ( 1.638 0.000 -3.447) 3.817 2.102 ( -2.699 0.000 3.175) 4.167 2.167 ( 2.541 0.000 5.124) 5.719 2.203 ( 6.318 0.000 -1.412) 6.474 2.384 ( 5.491 0.000 1.473) 5.685 2.672 ( 0.276 0.000 0.467) 0.542 2.726 ( 2.658 0.000 1.322) 2.969 2.846 ( 3.683 0.000 8.462) 9.229 2.866 ( 4.472 0.000 3.412) 5.625 2.918 ( -3.479 0.000 -0.833) 3.577 2.964 ( -0.212 0.000 0.646) 0.680 3.048 ( 0.345 0.000 2.815) 2.836 3.068 ( -3.799 0.000 -1.869) 4.234 3.096 ( 1.308 0.000 -1.168) 1.754 3.281 ( -4.271 0.000 1.710) 4.601 3.360 ( -5.039 0.000 -5.301) 7.314 3.408 ( -0.633 0.000 -5.143) 5.182 3.502 ( 4.602 0.000 4.779) 6.634 3.583 ( 1.407 0.000 1.130) 1.805 3.699 ( 1.958 0.000 -1.037) 2.216 3.722 ( 1.139 0.000 -2.729) 2.957 3.818 ( -1.591 0.000 -1.616) 2.268 3.889 ( 0.589 0.000 2.326) 2.399 3.935 ( 3.947 0.000 0.368) 3.964 4.009 ( 1.506 0.000 0.315) 1.539 4.071 ( -2.100 0.000 6.956) 7.267 4.119 ( -2.664 0.000 -4.617) 5.330 4.448 ( 0.384 0.000 -3.344) 3.366 4.510 ( 6.577 0.000 0.466) 6.593 4.578 ( -4.069 0.000 1.668) 4.397 4.769 ( 2.651 0.000 -1.203) 2.911 4.888 ( 8.261 0.000 4.033) 9.193 4.986 ( 1.812 0.000 2.418) 3.022 5.046 ( -2.272 0.000 -3.029) 3.787 5.281 ( -1.790 0.000 -0.360) 1.826 5.287 ( 1.177 0.000 3.018) 3.239 5.555 ( 1.685 0.000 -6.023) 6.254 5.587 ( 1.163 0.000 1.979) 2.295 5.697 ( 0.071 0.000 -5.444) 5.444 5.853 ( 3.332 0.000 -1.375) 3.604 5.880 ( -0.154 0.000 -2.149) 2.154 6.110 ( -1.400 0.000 -4.972) 5.165 6.163 ( -3.426 0.000 0.932) 3.550 6.349 ( 2.697 0.000 0.402) 2.727 6.686 ( -2.550 0.000 6.484) 6.967 6.715 ( 0.611 0.000 -0.918) 1.102 6.734 ( 0.410 0.000 4.531) 4.549 6.872 ( -2.559 0.000 -0.942) 2.727 6.977 ( 6.866 0.000 -3.532) 7.721 7.018 ( -0.274 0.000 4.706) 4.714 7.045 ( -3.405 0.000 -1.592) 3.759 7.202 ( -9.866 0.000 9.379) 13.613 7.432 ( -6.861 0.000 -4.676) 8.303 7.525 ( 5.744 0.000 2.369) 6.214 8.260 ( -2.724 0.000 1.194) 2.974 8.260 ( -2.152 0.000 1.149) 2.440 8.369 ( 9.899 0.000 -9.094) 13.442 8.849 ( -5.991 0.000 4.205) 7.319 9.042 ( -0.520 0.000 -0.474) 0.703 10.334 ( 2.461 0.000 3.134) 3.985 10.470 ( -0.779 0.000 -7.507) 7.547 11.321 ( -2.918 0.000 3.012) 4.193 11.604 ( 4.720 0.000 0.651) 4.764 11.919 ( -11.935 0.000 4.557) 12.776 12.509 ( 0.806 0.000 -9.639) 9.673 12.707 ( -3.593 0.000 -2.787) 4.547 12.718 ( -0.240 0.000 0.767) 0.803 14.731 ( 4.162 0.000 2.735) 4.980 14.814 ( 0.557 0.000 -5.026) 5.057 15.145 ( 1.272 0.000 14.653) 14.708 15.468 ( 1.359 0.000 -2.602) 2.935 15.954 ( -2.841 0.000 -2.988) 4.123 15.995 ( -0.730 0.000 -4.829) 4.884 16.236 ( -1.827 0.000 3.194) 3.680 16.484 ( 7.434 0.000 0.398) 7.444 ======================= Grid point 69 (27/72) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -7.496 0.000 10.215) 12.671 0.888 ( -14.045 0.000 8.635) 16.487 1.155 ( -7.948 0.000 -4.702) 9.235 1.248 ( 3.321 0.000 -2.498) 4.155 1.281 ( -6.313 0.000 -3.673) 7.304 1.358 ( -11.742 0.000 7.317) 13.835 1.531 ( -5.797 0.000 -2.108) 6.168 1.609 ( -4.122 0.000 -4.311) 5.964 1.822 ( 2.328 0.000 -1.076) 2.565 1.896 ( 7.523 0.000 -2.163) 7.827 2.101 ( 2.543 0.000 2.715) 3.720 2.234 ( 2.372 0.000 0.908) 2.540 2.335 ( 6.821 0.000 -2.095) 7.135 2.447 ( 0.949 0.000 -3.269) 3.404 2.690 ( 0.555 0.000 1.618) 1.711 2.752 ( -0.654 0.000 1.939) 2.046 2.863 ( -0.237 0.000 -1.179) 1.203 2.899 ( -0.809 0.000 -0.713) 1.079 2.966 ( 5.128 0.000 4.468) 6.802 2.984 ( 0.299 0.000 3.378) 3.391 3.042 ( 1.064 0.000 -3.492) 3.651 3.077 ( 0.292 0.000 4.998) 5.006 3.109 ( 0.961 0.000 -2.001) 2.220 3.223 ( -6.590 0.000 -3.256) 7.350 3.241 ( 3.473 0.000 -0.488) 3.508 3.427 ( 3.284 0.000 -6.407) 7.199 3.565 ( -3.068 0.000 -3.726) 4.827 3.608 ( 4.971 0.000 2.682) 5.649 3.742 ( 2.995 0.000 -4.659) 5.538 3.769 ( -0.122 0.000 -2.188) 2.191 3.813 ( 6.725 0.000 0.304) 6.732 3.889 ( -4.166 0.000 4.631) 6.229 4.019 ( 4.186 0.000 2.568) 4.911 4.040 ( -0.498 0.000 -4.710) 4.736 4.055 ( 1.344 0.000 3.871) 4.097 4.071 ( 0.931 0.000 -1.824) 2.048 4.479 ( 3.324 0.000 -2.474) 4.144 4.489 ( -5.037 0.000 0.935) 5.123 4.614 ( 3.216 0.000 5.697) 6.542 4.879 ( 6.668 0.000 -2.079) 6.985 4.921 ( -9.812 0.000 0.387) 9.820 4.989 ( -0.127 0.000 6.345) 6.346 5.051 ( 3.919 0.000 4.278) 5.802 5.272 ( -3.184 0.000 2.330) 3.946 5.290 ( 3.042 0.000 -4.257) 5.232 5.555 ( -0.027 0.000 -8.399) 8.399 5.636 ( 2.652 0.000 1.742) 3.173 5.696 ( 0.266 0.000 -3.566) 3.576 5.909 ( 3.435 0.000 2.913) 4.504 5.945 ( 6.262 0.000 -2.650) 6.800 6.091 ( -3.049 0.000 -0.420) 3.078 6.092 ( 0.655 0.000 -5.033) 5.076 6.451 ( 7.165 0.000 -0.687) 7.198 6.492 ( -13.684 0.000 5.168) 14.628 6.716 ( -1.898 0.000 -4.779) 5.142 6.807 ( -2.355 0.000 1.421) 2.750 6.847 ( 4.907 0.000 4.304) 6.528 6.947 ( -3.114 0.000 10.901) 11.337 6.976 ( -2.571 0.000 -2.190) 3.377 7.065 ( 1.124 0.000 -4.614) 4.749 7.148 ( 2.142 0.000 7.497) 7.797 7.309 ( -5.220 0.000 -1.582) 5.454 7.694 ( 9.528 0.000 0.567) 9.545 8.111 ( -8.729 0.000 -3.243) 9.312 8.232 ( -1.055 0.000 3.769) 3.914 8.568 ( 7.825 0.000 -3.040) 8.395 8.708 ( -7.956 0.000 4.567) 9.173 8.995 ( -4.396 0.000 -3.915) 5.886 10.401 ( 3.977 0.000 2.398) 4.644 10.447 ( 0.272 0.000 -8.172) 8.176 11.257 ( -4.720 0.000 1.104) 4.848 11.615 ( -15.006 0.000 8.790) 17.391 11.735 ( 3.730 0.000 -2.606) 4.550 12.425 ( -7.772 0.000 -18.322) 19.902 12.640 ( -2.066 0.000 0.334) 2.092 12.701 ( -1.448 0.000 0.370) 1.495 14.828 ( 4.974 0.000 2.940) 5.778 14.836 ( 2.677 0.000 -4.790) 5.487 15.219 ( 3.131 0.000 14.507) 14.841 15.475 ( 0.116 0.000 -5.829) 5.830 15.918 ( -0.615 0.000 0.941) 1.124 15.991 ( 1.829 0.000 2.449) 3.057 16.214 ( -1.032 0.000 2.232) 2.459 16.641 ( 8.033 0.000 0.342) 8.040 ======================= Grid point 70 (28/72) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -3.690 0.000 22.430) 22.731 0.609 ( -14.762 0.000 14.534) 20.716 0.984 ( -22.303 0.000 22.497) 31.679 0.993 ( -4.303 0.000 -10.661) 11.497 1.197 ( -3.116 0.000 -10.149) 10.617 1.329 ( 0.924 0.000 5.963) 6.034 1.466 ( -0.930 0.000 -1.704) 1.942 1.561 ( 1.656 0.000 -1.862) 2.492 1.884 ( 3.954 0.000 -0.285) 3.965 2.015 ( 4.962 0.000 0.099) 4.963 2.194 ( 5.541 0.000 0.078) 5.542 2.248 ( 0.980 0.000 1.650) 1.919 2.412 ( -3.322 0.000 -6.725) 7.501 2.452 ( 4.650 0.000 -0.814) 4.720 2.672 ( -2.977 0.000 6.226) 6.901 2.736 ( -0.388 0.000 0.894) 0.974 2.888 ( 0.118 0.000 0.179) 0.215 2.894 ( 2.036 0.000 3.798) 4.309 2.974 ( -1.036 0.000 -7.864) 7.932 2.994 ( 0.541 0.000 -2.848) 2.899 3.022 ( -0.437 0.000 -0.594) 0.737 3.128 ( 3.791 0.000 2.104) 4.336 3.133 ( -1.371 0.000 -2.319) 2.694 3.187 ( 4.397 0.000 5.363) 6.935 3.371 ( 6.791 0.000 0.631) 6.820 3.424 ( -2.763 0.000 -1.715) 3.252 3.516 ( 0.122 0.000 -7.847) 7.848 3.665 ( -2.534 0.000 -0.519) 2.586 3.739 ( -4.098 0.000 2.136) 4.621 3.747 ( -0.602 0.000 1.344) 1.472 3.878 ( 6.307 0.000 0.682) 6.344 3.971 ( 0.558 0.000 -5.301) 5.330 4.016 ( 8.692 0.000 -4.795) 9.927 4.103 ( 4.107 0.000 -0.563) 4.145 4.115 ( 2.873 0.000 4.838) 5.627 4.131 ( 2.928 0.000 2.749) 4.016 4.395 ( -4.067 0.000 -0.581) 4.108 4.554 ( 4.193 0.000 -3.352) 5.368 4.657 ( -1.238 0.000 6.272) 6.393 4.665 ( -14.992 0.000 -0.486) 15.000 4.941 ( 0.237 0.000 2.866) 2.875 4.979 ( -1.720 0.000 8.310) 8.486 5.127 ( 2.607 0.000 4.512) 5.211 5.222 ( -1.861 0.000 2.470) 3.093 5.343 ( 2.897 0.000 -4.376) 5.248 5.491 ( -4.140 0.000 -12.560) 13.225 5.678 ( 1.202 0.000 1.285) 1.760 5.706 ( 0.772 0.000 2.301) 2.427 6.014 ( 5.116 0.000 5.656) 7.626 6.046 ( 2.630 0.000 -2.219) 3.441 6.082 ( 3.734 0.000 -2.189) 4.329 6.111 ( 2.220 0.000 -4.311) 4.849 6.252 ( -9.857 0.000 2.844) 10.259 6.557 ( -5.503 0.000 -3.926) 6.760 6.618 ( 2.520 0.000 2.556) 3.590 6.843 ( -2.475 0.000 0.806) 2.603 6.856 ( 6.441 0.000 -1.479) 6.609 6.952 ( 0.702 0.000 -1.846) 1.975 6.978 ( 0.612 0.000 -4.545) 4.586 7.093 ( 1.640 0.000 0.817) 1.833 7.208 ( -4.995 0.000 0.413) 5.012 7.299 ( 12.160 0.000 12.100) 17.155 7.860 ( 7.856 0.000 2.531) 8.253 7.951 ( -5.977 0.000 -2.495) 6.477 8.245 ( -0.248 0.000 6.399) 6.403 8.487 ( -9.705 0.000 1.725) 9.857 8.733 ( 4.341 0.000 -0.168) 4.345 8.818 ( -12.957 0.000 -12.674) 18.125 10.467 ( 4.278 0.000 -3.801) 5.723 10.501 ( 5.699 0.000 0.794) 5.754 11.100 ( -11.760 0.000 -0.182) 11.761 11.289 ( -16.922 0.000 5.550) 17.809 11.830 ( 4.145 0.000 -0.173) 4.148 12.142 ( -15.542 0.000 -18.089) 23.848 12.618 ( -0.828 0.000 0.832) 1.174 12.670 ( -1.514 0.000 -0.189) 1.526 14.894 ( 3.847 0.000 -3.001) 4.879 14.924 ( 3.791 0.000 2.629) 4.613 15.261 ( -3.916 0.000 -1.906) 4.355 15.449 ( -1.223 0.000 -8.609) 8.696 15.930 ( 1.245 0.000 4.069) 4.255 16.154 ( 5.777 0.000 4.848) 7.542 16.259 ( 16.595 0.000 20.386) 26.286 16.778 ( 5.106 0.000 0.852) 5.177 ======================= Grid point 71 (29/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -9.626 14.229 11.622) 20.741 0.640 ( 2.291 14.480 14.132) 20.363 1.007 ( 2.130 8.945 6.454) 11.234 1.090 ( 2.329 16.049 9.170) 18.630 1.257 ( 0.980 8.883 -9.486) 13.033 1.329 ( -1.274 1.225 5.051) 5.351 1.465 ( 0.510 1.136 -0.829) 1.497 1.662 ( 5.270 0.969 3.104) 6.192 2.000 ( -0.607 1.486 -0.566) 1.702 2.129 ( -2.739 4.865 -4.042) 6.892 2.225 ( 3.007 -4.884 -1.520) 5.933 2.296 ( 1.048 -1.706 1.290) 2.382 2.336 ( -0.369 1.989 -0.745) 2.156 2.457 ( -0.792 -1.243 -2.612) 2.999 2.670 ( -2.704 3.612 7.129) 8.437 2.789 ( 1.462 1.833 0.470) 2.391 2.823 ( 0.005 0.638 -0.304) 0.707 2.939 ( -0.014 1.128 0.755) 1.357 2.956 ( -1.795 0.491 -5.355) 5.669 3.071 ( 2.416 -2.201 -1.237) 3.495 3.093 ( 2.573 -1.493 1.416) 3.294 3.113 ( -0.397 1.292 0.230) 1.371 3.169 ( -0.510 -0.066 0.169) 0.542 3.217 ( 2.737 -0.539 -0.670) 2.869 3.381 ( 0.840 -1.809 -0.698) 2.113 3.473 ( -3.271 -2.830 0.429) 4.347 3.512 ( 2.701 -0.156 -1.943) 3.331 3.641 ( -2.786 -4.039 -2.691) 5.596 3.685 ( 7.562 3.140 -3.597) 8.943 3.791 ( 2.672 -1.834 1.813) 3.713 3.926 ( -2.438 -1.462 -1.060) 3.034 3.988 ( -1.112 1.313 0.751) 1.877 4.086 ( 1.177 0.221 3.968) 4.145 4.148 ( 2.864 0.671 0.847) 3.061 4.251 ( 3.434 -0.016 -1.360) 3.694 4.335 ( -8.585 3.365 -3.460) 9.849 4.393 ( 1.838 1.946 -5.180) 5.831 4.421 ( 6.030 6.687 -6.396) 11.045 4.580 ( -6.271 1.293 4.365) 7.749 4.648 ( 1.735 0.422 0.820) 1.965 4.899 ( 1.374 -6.513 5.479) 8.621 4.950 ( -0.103 -3.016 5.946) 6.667 5.164 ( 1.417 0.342 3.407) 3.706 5.214 ( -1.293 -0.881 6.282) 6.474 5.425 ( 2.498 1.941 -4.266) 5.311 5.440 ( -3.967 4.802 -6.635) 9.100 5.719 ( 2.345 2.694 2.615) 4.427 5.789 ( 0.097 3.968 -4.972) 6.362 6.045 ( 0.956 -0.402 0.282) 1.075 6.078 ( -0.752 -1.185 -0.583) 1.520 6.101 ( -2.018 -0.086 -1.029) 2.267 6.184 ( 3.536 2.101 -2.710) 4.925 6.245 ( 5.784 0.345 2.944) 6.500 6.363 ( -6.046 -2.057 -2.968) 7.042 6.674 ( 1.017 -1.438 2.023) 2.682 6.761 ( -1.481 -3.428 -1.377) 3.980 6.850 ( -3.253 -4.494 -1.259) 5.689 6.901 ( -7.572 -3.419 -1.445) 8.433 7.014 ( -3.220 -2.350 0.257) 3.995 7.032 ( 3.843 -0.266 0.043) 3.853 7.224 ( 4.602 5.126 3.174) 7.585 7.350 ( -11.820 4.577 -1.572) 12.772 7.880 ( 2.734 -2.447 -0.100) 3.671 7.967 ( -6.982 -0.190 -3.213) 7.688 8.226 ( 11.074 1.540 3.543) 11.728 8.355 ( -4.010 -2.976 1.856) 5.328 8.410 ( 7.958 -7.521 11.304) 15.738 8.744 ( -3.552 -5.225 -4.490) 7.751 10.599 ( 0.062 1.459 0.505) 1.545 10.606 ( -0.524 1.175 0.844) 1.538 11.044 ( 1.419 -0.999 3.065) 3.522 11.072 ( 7.700 -3.032 1.099) 8.348 11.698 ( -4.416 2.805 10.465) 11.699 12.372 ( 8.216 10.713 -23.489) 27.092 12.651 ( 0.717 3.724 -0.972) 3.915 12.683 ( -3.580 3.189 -1.351) 4.981 14.752 ( -4.676 -4.888 9.796) 11.905 14.955 ( 0.431 -1.256 1.499) 2.003 15.250 ( -3.362 8.222 -8.756) 12.473 15.424 ( -2.801 1.706 -9.094) 9.668 16.007 ( 1.822 2.542 4.098) 5.155 16.168 ( -1.584 1.826 -2.303) 3.339 16.607 ( 9.721 -12.335 11.580) 19.513 16.766 ( -2.402 -4.995 -0.263) 5.549 ======================= Grid point 72 (30/72) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 4.074 9.007 10.235) 14.230 0.811 ( 10.349 12.380 11.400) 19.757 1.120 ( 6.029 10.215 11.911) 16.809 1.195 ( 5.656 5.853 -5.670) 9.919 1.336 ( 1.690 1.419 3.658) 4.272 1.365 ( 10.226 10.886 -1.465) 15.007 1.475 ( 0.751 -0.711 -1.542) 1.857 1.777 ( 4.738 0.098 3.000) 5.608 1.912 ( -6.045 1.009 -3.702) 7.160 2.073 ( -2.105 5.583 -1.513) 6.156 2.202 ( -3.743 -0.658 -3.895) 5.442 2.276 ( -4.394 3.554 1.831) 5.940 2.346 ( 0.524 -2.769 -2.150) 3.545 2.415 ( -1.562 -1.621 -1.034) 2.477 2.645 ( -1.027 2.457 5.615) 6.215 2.806 ( -0.717 0.432 0.980) 1.289 2.854 ( 2.363 2.122 1.216) 3.400 2.895 ( -4.351 -1.342 -4.107) 6.132 2.929 ( -1.389 1.959 -2.635) 3.565 2.975 ( -3.244 1.020 -0.683) 3.468 3.069 ( -2.782 -1.734 1.959) 3.819 3.166 ( 2.310 0.544 -0.460) 2.417 3.211 ( 2.271 0.217 1.863) 2.945 3.253 ( -0.844 0.204 0.187) 0.889 3.388 ( -2.441 -1.291 3.297) 4.301 3.452 ( 3.261 -2.200 -4.342) 5.859 3.529 ( -0.587 -1.375 -4.000) 4.271 3.549 ( -3.471 -0.376 -2.951) 4.572 3.689 ( -5.221 3.136 -3.212) 6.886 3.789 ( -0.631 0.637 -6.568) 6.629 3.928 ( -4.342 -1.614 2.090) 5.082 3.997 ( -2.093 5.175 0.249) 5.587 4.055 ( -0.517 -5.354 2.917) 6.119 4.099 ( -4.743 2.297 0.087) 5.271 4.226 ( -4.573 2.874 1.724) 5.669 4.267 ( 1.442 -2.749 -1.842) 3.610 4.398 ( -3.353 0.756 -0.762) 3.520 4.484 ( 3.913 0.224 -2.970) 4.918 4.606 ( 6.567 -2.115 -3.310) 7.653 4.675 ( -1.220 0.333 4.356) 4.536 4.946 ( 1.868 -6.142 3.710) 7.415 4.980 ( 1.584 -4.186 5.983) 7.472 5.176 ( -2.305 0.180 4.362) 4.937 5.183 ( -0.415 -1.137 1.205) 1.708 5.396 ( 1.074 2.349 -4.721) 5.382 5.432 ( -1.490 0.703 -2.115) 2.681 5.721 ( -3.045 3.572 1.211) 4.848 5.788 ( 1.576 4.981 -5.757) 7.774 5.964 ( -5.069 0.973 2.418) 5.699 6.063 ( 0.607 -0.346 -2.792) 2.878 6.125 ( 0.458 2.819 -5.663) 6.342 6.172 ( -6.382 -0.045 0.593) 6.409 6.305 ( 4.268 -3.936 1.566) 6.013 6.417 ( 5.282 -1.527 2.195) 5.920 6.569 ( -6.521 1.382 1.176) 6.769 6.658 ( -2.531 -2.603 3.084) 4.763 6.811 ( 0.951 0.397 0.714) 1.253 6.875 ( 0.731 -2.622 0.350) 2.744 6.973 ( -0.493 1.069 -2.014) 2.332 7.104 ( 3.172 -0.142 1.438) 3.486 7.176 ( -4.107 3.749 0.614) 5.595 7.323 ( 3.621 5.142 3.631) 7.262 7.884 ( 0.142 -0.770 -1.206) 1.438 8.011 ( 4.427 -1.091 0.850) 4.638 8.293 ( 0.603 -5.034 3.636) 6.239 8.404 ( 5.881 2.557 1.446) 6.573 8.611 ( -2.729 -8.078 -1.397) 8.640 8.715 ( 10.553 -5.043 -3.513) 12.212 10.475 ( -8.285 0.263 -0.384) 8.298 10.534 ( -4.430 -0.827 0.063) 4.507 11.176 ( 12.710 -0.370 -0.580) 12.728 11.473 ( 19.872 -14.270 -0.044) 24.465 11.639 ( -3.439 5.301 8.567) 10.646 12.345 ( -4.307 6.355 -16.943) 18.602 12.661 ( 1.012 3.474 1.491) 3.914 12.734 ( 6.564 4.308 -6.826) 10.404 14.659 ( -5.281 0.356 8.514) 10.025 14.942 ( -1.845 -1.361 2.270) 3.226 15.187 ( -2.072 8.845 -0.820) 9.122 15.369 ( -0.756 0.299 -7.882) 7.924 16.051 ( 1.428 1.431 4.777) 5.187 16.133 ( -1.098 2.069 -3.003) 3.809 16.580 ( -9.012 -7.673 8.166) 14.379 16.691 ( -5.982 -3.560 -0.506) 6.979 ======================= Grid point 73 (31/72) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 15.458 -1.294 5.249) 16.376 1.031 ( 8.715 7.030 8.911) 14.310 1.247 ( 5.286 8.254 1.750) 9.957 1.283 ( 3.375 0.936 -4.301) 5.547 1.408 ( 5.391 0.959 -0.208) 5.480 1.480 ( 0.451 -2.398 -0.333) 2.463 1.562 ( 8.607 7.955 -5.904) 13.124 1.795 ( -1.235 1.174 -5.380) 5.643 1.853 ( -1.490 4.966 3.722) 6.382 1.988 ( -6.418 3.122 -5.112) 8.779 2.125 ( -2.514 6.546 -0.542) 7.033 2.188 ( -4.075 3.159 4.194) 6.646 2.322 ( -2.020 -2.813 -2.544) 4.297 2.392 ( -1.433 -1.040 0.257) 1.789 2.638 ( -1.901 -0.553 3.584) 4.094 2.733 ( -3.416 1.855 -0.616) 3.936 2.832 ( -1.967 0.324 2.698) 3.355 2.872 ( -0.829 -0.709 0.897) 1.412 2.897 ( -1.535 3.467 -1.554) 4.098 2.974 ( 1.284 0.993 1.291) 2.074 3.059 ( 1.216 -0.733 1.619) 2.154 3.160 ( -1.642 -1.273 -0.577) 2.157 3.203 ( -1.831 1.188 -0.851) 2.343 3.269 ( 0.576 2.746 -0.563) 2.862 3.315 ( -2.716 -0.116 3.868) 4.728 3.456 ( -3.178 -0.917 3.206) 4.606 3.511 ( 0.977 1.580 -9.216) 9.402 3.554 ( -0.642 0.766 -1.069) 1.464 3.613 ( 4.472 1.064 -4.401) 6.364 3.724 ( -5.334 4.455 -0.718) 6.987 3.884 ( -0.226 -1.885 0.177) 1.907 3.946 ( -4.439 2.631 -0.083) 5.161 3.966 ( -2.886 0.172 0.223) 2.899 4.072 ( -1.215 1.732 -0.734) 2.240 4.126 ( -4.334 2.706 1.987) 5.482 4.276 ( -1.134 -5.219 0.534) 5.367 4.360 ( -0.490 2.836 -1.073) 3.071 4.557 ( -1.527 -3.672 2.614) 4.759 4.589 ( -0.586 -1.260 -3.925) 4.164 4.689 ( 0.633 -4.759 2.924) 5.621 4.955 ( -3.307 -4.879 0.825) 5.952 5.013 ( 0.542 -3.871 2.071) 4.424 5.106 ( -3.044 0.436 8.209) 8.766 5.222 ( 2.009 -4.126 -1.851) 4.948 5.376 ( -3.296 0.262 -2.596) 4.203 5.422 ( 1.563 2.072 -4.486) 5.183 5.663 ( -2.227 4.876 1.004) 5.453 5.803 ( 1.483 4.626 -3.092) 5.758 5.899 ( -2.940 0.026 0.577) 2.997 6.010 ( -6.201 0.750 -1.045) 6.333 6.105 ( 2.788 -0.883 -3.240) 4.365 6.129 ( 1.255 0.829 -5.213) 5.425 6.345 ( -0.154 -4.448 2.847) 5.284 6.458 ( 0.838 -1.347 4.970) 5.217 6.597 ( -2.333 0.080 5.571) 6.040 6.647 ( 6.353 -2.688 -4.846) 8.430 6.793 ( -1.827 -2.236 2.019) 3.523 6.919 ( 1.812 1.755 0.109) 2.525 6.972 ( -0.004 1.307 0.506) 1.401 7.137 ( -0.526 1.171 -0.034) 1.284 7.223 ( 8.994 1.314 1.698) 9.246 7.389 ( 3.235 5.228 2.318) 6.571 7.891 ( -0.999 0.335 4.660) 4.778 8.009 ( -2.516 -1.141 -6.966) 7.494 8.293 ( -2.614 -4.843 6.134) 8.241 8.463 ( -3.626 -3.696 -6.076) 7.983 8.631 ( 10.350 -3.493 2.258) 11.155 8.912 ( 8.101 -0.503 -1.583) 8.269 10.328 ( -5.651 -0.238 -0.725) 5.702 10.480 ( -1.431 -4.321 -1.822) 4.903 11.406 ( 8.507 0.918 -1.477) 8.683 11.582 ( -2.746 3.754 8.780) 9.936 11.788 ( 11.865 -6.918 0.680) 13.751 12.263 ( 0.112 -2.796 -11.128) 11.474 12.683 ( 0.690 3.970 2.370) 4.675 12.832 ( 4.461 5.389 -7.561) 10.301 14.608 ( -1.341 1.952 4.541) 5.121 14.896 ( -3.206 -2.389 2.246) 4.586 15.159 ( -1.075 6.724 2.965) 7.427 15.362 ( 0.996 -0.685 -4.389) 4.553 16.063 ( -0.762 -0.158 -0.802) 1.117 16.129 ( 0.814 2.442 0.886) 2.722 16.424 ( -7.311 -3.944 3.335) 8.952 16.535 ( -8.751 -0.113 -0.090) 8.753 ======================= Grid point 74 (32/72) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.877 -2.454 1.750) 9.375 1.123 ( -1.082 2.202 -0.719) 2.556 1.310 ( 2.574 1.138 -8.911) 9.345 1.349 ( 5.251 3.901 -2.216) 6.907 1.509 ( 1.804 -1.337 2.062) 3.048 1.526 ( 5.830 2.435 0.315) 6.326 1.658 ( 2.665 1.977 -11.242) 11.722 1.761 ( -6.188 1.935 -3.090) 7.182 1.796 ( 1.378 8.546 -2.294) 8.955 1.839 ( -6.658 6.683 -2.379) 9.728 2.091 ( -1.015 3.093 2.590) 4.160 2.169 ( 1.047 3.217 5.645) 6.581 2.268 ( -3.063 -0.536 -1.742) 3.565 2.317 ( -6.284 1.829 1.736) 6.771 2.629 ( 1.875 -0.690 3.625) 4.139 2.720 ( 0.034 1.533 2.530) 2.959 2.806 ( -1.066 1.235 4.434) 4.724 2.839 ( -2.397 0.406 1.625) 2.924 2.862 ( -1.102 1.615 -0.884) 2.145 2.984 ( -1.113 -0.175 4.185) 4.334 3.096 ( 2.133 1.937 0.588) 2.940 3.125 ( -3.864 0.145 -2.305) 4.501 3.172 ( 1.301 -0.322 -1.529) 2.033 3.295 ( 2.748 0.204 1.965) 3.385 3.326 ( 2.826 -0.625 -4.202) 5.103 3.413 ( -2.225 -0.419 6.773) 7.141 3.474 ( -0.885 4.057 -2.370) 4.781 3.606 ( 1.726 0.729 -1.294) 2.277 3.655 ( -0.577 2.257 1.269) 2.652 3.710 ( 4.971 2.581 -4.822) 7.391 3.834 ( -4.177 -0.037 2.838) 5.051 3.889 ( -1.450 1.286 -0.779) 2.089 3.920 ( -1.357 -0.717 1.015) 1.840 4.033 ( -2.070 0.970 -0.787) 2.417 4.105 ( -0.263 1.975 2.251) 3.006 4.242 ( -1.379 -3.335 -2.160) 4.206 4.359 ( 0.485 2.696 -0.282) 2.754 4.462 ( -3.440 -0.343 1.138) 3.639 4.625 ( 1.758 -4.820 -3.970) 6.487 4.686 ( -1.658 -4.906 3.491) 6.245 4.887 ( -3.985 -4.945 -2.404) 6.791 4.905 ( -6.716 -2.072 0.275) 7.034 5.137 ( 1.016 -1.416 6.982) 7.196 5.225 ( -0.771 -2.109 0.390) 2.279 5.318 ( -2.178 1.344 -0.475) 2.603 5.433 ( 1.483 0.523 -6.840) 7.018 5.648 ( -0.050 4.948 1.415) 5.147 5.818 ( -2.731 3.658 -0.977) 4.668 5.847 ( 1.744 -1.950 -2.606) 3.692 5.936 ( -2.482 2.347 -2.136) 4.029 6.114 ( 0.867 -0.763 -2.241) 2.521 6.170 ( 0.653 -2.491 -4.512) 5.195 6.389 ( 3.167 -5.956 3.395) 7.552 6.463 ( 0.115 -2.944 0.778) 3.047 6.567 ( -0.490 1.837 8.515) 8.724 6.759 ( 4.611 1.095 -4.434) 6.490 6.768 ( -0.077 -5.116 1.003) 5.214 6.919 ( -1.573 1.640 0.603) 2.351 6.982 ( 0.808 -1.056 0.523) 1.429 7.138 ( 0.603 1.676 -1.907) 2.609 7.348 ( 1.833 5.622 3.681) 6.965 7.528 ( 8.505 0.982 3.782) 9.359 7.809 ( -8.677 2.004 8.367) 12.219 7.953 ( 0.245 -1.212 -10.481) 10.554 8.248 ( -1.702 -3.912 1.123) 4.412 8.393 ( -1.981 -4.593 -5.426) 7.380 8.828 ( 7.779 -2.053 3.484) 8.767 9.015 ( 2.594 1.172 -0.325) 2.865 10.261 ( -1.333 -1.288 0.442) 1.905 10.455 ( -0.878 -5.598 -3.219) 6.516 11.474 ( -0.608 3.863 3.572) 5.297 11.560 ( -0.266 4.661 0.037) 4.669 11.979 ( 6.481 -3.846 5.190) 9.150 12.295 ( 4.096 -8.818 -9.065) 13.293 12.695 ( -0.035 4.260 3.152) 5.300 12.882 ( 2.239 5.891 -6.140) 8.799 14.615 ( 1.171 1.165 2.360) 2.881 14.834 ( -3.160 -3.043 0.609) 4.429 15.156 ( -0.096 5.581 5.599) 7.906 15.384 ( 1.760 -1.361 -1.645) 2.767 16.036 ( -1.305 -0.405 -3.711) 3.954 16.134 ( -1.294 1.316 -1.266) 2.238 16.327 ( -2.031 -1.185 0.246) 2.364 16.383 ( -6.425 0.911 2.309) 6.888 ======================= Grid point 75 (33/72) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -8.528 0.565 -6.885) 10.975 1.053 ( -0.992 -1.160 -3.399) 3.727 1.369 ( 2.299 0.814 -6.680) 7.112 1.393 ( -1.521 -1.932 -4.513) 5.139 1.521 ( -2.093 0.984 2.750) 3.593 1.559 ( -2.045 7.259 -2.457) 7.931 1.658 ( 3.758 5.880 -3.614) 7.859 1.705 ( -0.302 0.974 -6.644) 6.722 1.764 ( 0.501 6.684 -1.002) 6.778 1.851 ( 4.029 8.682 -4.097) 10.411 2.100 ( 0.792 0.625 3.791) 3.923 2.195 ( -3.154 2.269 0.617) 3.934 2.206 ( -3.805 1.911 1.733) 4.597 2.243 ( 4.380 -0.414 4.903) 6.588 2.696 ( 2.193 0.283 4.099) 4.658 2.714 ( -0.198 3.112 0.350) 3.138 2.799 ( 0.351 1.530 4.087) 4.378 2.822 ( 0.674 2.207 5.991) 6.420 2.874 ( 1.342 -2.750 0.969) 3.210 2.964 ( -1.267 -2.538 3.400) 4.427 3.038 ( -2.596 1.452 -4.526) 5.416 3.151 ( 0.545 3.079 2.865) 4.241 3.161 ( -2.668 -0.338 -3.379) 4.318 3.334 ( 1.611 -0.131 0.735) 1.775 3.376 ( 1.394 -1.342 -2.303) 3.008 3.404 ( -0.223 0.158 3.325) 3.336 3.478 ( 1.287 3.163 -0.760) 3.498 3.609 ( -0.128 3.046 2.081) 3.691 3.662 ( 0.293 -0.835 -1.257) 1.537 3.748 ( 0.007 3.822 -0.366) 3.840 3.804 ( 0.240 -1.074 0.948) 1.452 3.892 ( 1.663 0.409 0.922) 1.945 3.904 ( -1.422 0.035 1.100) 1.797 4.014 ( 0.544 0.781 0.238) 0.981 4.081 ( -1.410 -0.042 2.264) 2.668 4.199 ( -2.855 0.262 -2.814) 4.018 4.388 ( 3.717 -0.081 -0.419) 3.742 4.460 ( 1.192 1.211 -3.800) 4.162 4.603 ( -6.022 -4.998 5.821) 9.753 4.697 ( 6.199 -3.427 -0.468) 7.098 4.766 ( -3.436 -2.043 -2.134) 4.532 4.888 ( 1.751 -5.517 -6.248) 8.518 5.109 ( -4.502 0.576 5.197) 6.900 5.233 ( 1.414 -1.363 1.957) 2.772 5.296 ( -0.280 1.302 1.495) 2.002 5.473 ( 3.684 -2.167 -7.273) 8.436 5.643 ( -0.840 4.410 2.127) 4.968 5.786 ( -0.393 2.492 0.182) 2.529 5.864 ( -1.204 -2.353 -3.152) 4.114 5.886 ( -0.501 4.976 -3.056) 5.860 6.121 ( -0.970 -3.476 -2.459) 4.367 6.170 ( 1.856 0.127 -4.998) 5.333 6.343 ( -4.760 -3.086 5.350) 7.798 6.546 ( 2.591 -8.132 -0.849) 8.577 6.625 ( 4.878 0.143 12.035) 12.987 6.763 ( -0.348 -4.777 -0.400) 4.806 6.860 ( 6.852 3.036 -7.897) 10.887 6.882 ( -1.762 0.939 -0.806) 2.153 6.993 ( 0.115 -2.556 1.320) 2.878 7.141 ( -0.156 4.678 -3.291) 5.722 7.371 ( 0.124 3.735 4.784) 6.070 7.521 ( -11.197 0.080 11.990) 16.405 7.655 ( -5.737 4.034 -2.707) 7.517 8.066 ( 12.021 -0.710 -4.059) 12.708 8.235 ( -0.253 -4.109 0.286) 4.126 8.341 ( -2.545 -4.779 -6.300) 8.307 8.920 ( -0.290 0.451 4.222) 4.256 9.035 ( 0.829 0.096 -0.745) 1.118 10.265 ( 1.168 -1.987 1.965) 3.029 10.428 ( -1.039 -5.954 -4.536) 7.557 11.441 ( -2.843 5.893 4.196) 7.773 11.584 ( 2.995 4.203 -1.251) 5.310 12.028 ( -2.931 -2.766 4.736) 6.219 12.349 ( 2.349 -10.971 -7.429) 13.456 12.693 ( -0.990 4.087 3.545) 5.500 12.902 ( 1.037 6.317 -5.440) 8.401 14.658 ( 2.678 0.268 2.049) 3.382 14.783 ( -1.882 -3.280 -0.598) 3.829 15.177 ( 0.943 5.417 7.423) 9.238 15.420 ( 2.061 -1.526 -0.848) 2.701 15.998 ( -1.809 -0.580 -3.902) 4.340 16.073 ( -3.085 1.584 -5.709) 6.680 16.291 ( -3.481 0.984 4.107) 5.472 16.361 ( 4.238 -0.326 0.545) 4.285 ======================= Grid point 76 (34/72) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -10.242 1.057 -2.879) 10.692 1.021 ( -2.474 -0.137 1.177) 2.743 1.289 ( -5.859 -1.000 -8.442) 10.325 1.295 ( -7.285 1.992 -0.321) 7.559 1.492 ( -0.805 0.930 -1.516) 1.952 1.515 ( -3.100 7.670 -2.563) 8.660 1.678 ( -2.281 2.806 -2.336) 4.305 1.706 ( -1.215 3.730 -1.490) 4.196 1.842 ( 8.111 9.430 -4.471) 13.218 1.911 ( 2.783 9.266 -3.413) 10.259 2.079 ( -2.813 -1.177 2.775) 4.123 2.182 ( 1.261 1.227 3.172) 3.627 2.228 ( 5.553 0.935 0.147) 5.633 2.353 ( 5.028 -2.011 2.466) 5.950 2.666 ( -1.570 1.251 1.062) 2.271 2.773 ( 2.365 -0.163 2.085) 3.156 2.849 ( 0.704 2.446 0.447) 2.584 2.872 ( 3.153 -0.201 4.934) 5.859 2.881 ( -0.230 -1.237 2.136) 2.479 2.960 ( 0.947 -3.062 1.368) 3.485 3.013 ( 0.060 3.108 0.122) 3.111 3.053 ( -2.890 -0.466 0.603) 2.988 3.186 ( 0.989 3.780 -1.482) 4.178 3.308 ( -4.035 2.247 3.801) 5.982 3.353 ( -3.296 -0.213 -4.841) 5.861 3.408 ( -0.685 0.783 -2.760) 2.950 3.514 ( 2.923 0.383 2.540) 3.891 3.614 ( 0.559 3.137 0.638) 3.249 3.684 ( 2.512 -1.565 -1.183) 3.188 3.764 ( 0.847 2.697 -1.449) 3.177 3.804 ( 0.875 -1.089 1.965) 2.411 3.873 ( -0.321 1.225 0.225) 1.287 3.950 ( 3.376 0.936 0.290) 3.516 4.029 ( -1.376 -1.686 4.247) 4.772 4.083 ( 1.525 2.170 -0.669) 2.735 4.140 ( -2.129 2.243 -2.542) 4.003 4.424 ( -1.134 -1.590 -1.976) 2.778 4.512 ( 2.303 -1.580 2.583) 3.804 4.548 ( 3.729 -1.736 -2.964) 5.070 4.732 ( 1.066 -2.606 -0.583) 2.876 4.862 ( 7.197 -3.362 2.998) 8.490 4.911 ( 0.960 -8.607 -3.755) 9.439 5.033 ( -3.397 2.131 4.583) 6.090 5.266 ( 1.383 0.000 -1.193) 1.826 5.300 ( 0.259 0.882 2.064) 2.259 5.524 ( 2.377 -2.896 -4.559) 5.901 5.642 ( 0.781 3.869 2.278) 4.557 5.773 ( -1.227 4.179 -1.881) 4.744 5.843 ( 1.170 0.365 -1.469) 1.913 5.901 ( 2.299 1.856 -2.625) 3.952 6.086 ( -1.259 -2.431 -4.400) 5.182 6.162 ( -2.962 0.035 -1.013) 3.130 6.327 ( 3.409 -1.842 -0.060) 3.875 6.550 ( -2.336 -8.431 3.143) 9.296 6.720 ( -2.189 -5.364 0.559) 5.821 6.748 ( 3.441 1.677 10.189) 10.884 6.854 ( -0.938 0.441 -2.390) 2.605 6.966 ( 1.612 -1.367 -6.165) 6.517 7.014 ( 3.473 -0.533 -0.397) 3.536 7.114 ( -1.419 6.643 -2.949) 7.406 7.266 ( -12.812 4.077 10.553) 17.092 7.379 ( -2.079 -1.053 3.894) 4.538 7.604 ( 2.014 5.078 -2.894) 6.182 8.212 ( -2.766 -3.769 1.093) 4.801 8.228 ( -2.361 -3.703 0.127) 4.394 8.342 ( 10.222 -2.667 -7.155) 12.759 8.840 ( -7.379 -0.406 3.070) 8.003 9.046 ( -0.870 -0.335 -0.099) 0.938 10.304 ( 2.285 -2.402 2.177) 3.966 10.402 ( -0.343 -5.233 -5.103) 7.317 11.393 ( -2.793 6.293 2.485) 7.320 11.665 ( 4.650 4.347 1.775) 6.609 11.894 ( -10.558 -1.473 2.693) 10.995 12.333 ( -2.910 -13.336 -7.085) 15.379 12.675 ( -1.251 4.100 2.616) 5.022 12.900 ( -0.222 6.854 -5.571) 8.835 14.728 ( 3.926 -0.340 2.345) 4.585 14.761 ( -0.266 -3.336 -0.359) 3.366 15.224 ( 2.283 5.682 7.718) 9.852 15.457 ( 1.938 -0.954 -1.961) 2.918 15.958 ( -1.135 0.598 -1.158) 1.728 16.015 ( -1.659 1.395 -5.673) 6.073 16.251 ( -1.532 1.389 2.967) 3.617 16.476 ( 7.021 -0.866 0.563) 7.097 ======================= Grid point 77 (35/72) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -4.831 4.210 9.812) 11.719 0.891 ( -11.682 2.692 8.312) 14.588 1.122 ( -7.983 -1.707 -7.279) 10.937 1.259 ( 3.157 3.190 0.543) 4.521 1.419 ( -5.512 8.266 -5.651) 11.430 1.457 ( -2.614 0.806 -0.560) 2.792 1.558 ( -11.332 10.267 4.304) 15.885 1.638 ( -3.205 2.087 -4.412) 5.839 1.929 ( 1.936 8.603 -0.380) 8.827 2.015 ( 4.809 8.328 -1.201) 9.692 2.071 ( 4.152 -0.877 -0.392) 4.261 2.240 ( 3.246 -0.068 0.653) 3.312 2.342 ( 5.156 -0.008 -0.931) 5.239 2.417 ( 0.777 -2.223 -0.157) 2.360 2.661 ( 0.798 -0.522 1.767) 2.008 2.809 ( -1.443 -1.061 -1.576) 2.385 2.814 ( 1.009 -2.118 0.494) 2.398 2.860 ( -0.898 1.523 0.962) 2.012 2.952 ( 1.837 -2.678 2.453) 4.070 2.984 ( 0.001 -0.998 -0.546) 1.137 3.017 ( 2.892 0.041 1.663) 3.336 3.103 ( 2.746 3.959 4.740) 6.759 3.185 ( -1.625 3.915 -2.822) 5.092 3.251 ( -3.413 1.983 -0.927) 4.054 3.260 ( 0.299 3.301 0.493) 3.351 3.408 ( 2.093 -1.095 -5.908) 6.362 3.568 ( -1.813 -0.513 -2.135) 2.848 3.603 ( 2.196 0.160 -1.221) 2.517 3.755 ( 2.966 -0.846 -0.997) 3.241 3.800 ( 2.483 4.841 -2.510) 5.992 3.860 ( 5.219 3.555 2.140) 6.667 3.897 ( 1.701 -1.258 2.237) 3.079 3.951 ( -3.966 -1.606 5.405) 6.894 4.025 ( 2.698 -1.541 -1.264) 3.355 4.073 ( -1.021 1.562 -3.233) 3.733 4.176 ( 5.126 5.696 -0.634) 7.689 4.431 ( 2.108 -2.937 -1.360) 3.862 4.496 ( -1.551 -0.187 -0.970) 1.839 4.653 ( 3.647 2.611 3.757) 5.851 4.794 ( -2.775 -6.831 -1.381) 7.501 4.838 ( 1.007 -7.029 -0.427) 7.114 4.997 ( 0.269 -0.333 5.704) 5.720 5.011 ( 2.837 -2.378 4.520) 5.843 5.280 ( -2.422 0.347 2.319) 3.371 5.298 ( 2.118 0.998 -3.800) 4.463 5.559 ( 2.362 -1.064 -4.480) 5.175 5.679 ( 1.247 4.557 1.740) 5.035 5.736 ( -0.851 2.504 -4.154) 4.924 5.902 ( 4.323 0.950 2.049) 4.878 5.968 ( 4.773 0.776 -2.082) 5.265 6.065 ( -0.184 -2.109 -3.140) 3.787 6.105 ( -0.929 1.027 -2.837) 3.157 6.434 ( 1.355 -3.317 -0.890) 3.692 6.438 ( -4.032 -2.724 3.864) 6.214 6.684 ( -1.019 -3.732 -3.447) 5.182 6.791 ( -3.403 -1.218 0.117) 3.616 6.849 ( 1.440 -1.428 6.465) 6.776 6.956 ( 0.222 1.157 -3.195) 3.405 6.984 ( -4.924 1.938 7.682) 9.328 7.105 ( -1.161 1.097 -3.200) 3.576 7.149 ( 0.927 2.813 0.584) 3.019 7.352 ( -0.945 3.924 5.941) 7.182 7.704 ( 7.237 1.206 -1.282) 7.448 8.082 ( -7.588 -2.681 -2.805) 8.523 8.205 ( -0.648 -2.730 3.574) 4.544 8.518 ( 6.515 -5.334 -3.281) 9.037 8.669 ( -10.174 -1.597 2.060) 10.503 8.972 ( -6.719 -2.568 -1.802) 7.416 10.361 ( 3.335 -2.834 -1.021) 4.495 10.414 ( 2.869 -2.207 -1.836) 4.058 11.325 ( -5.369 5.787 0.657) 7.921 11.597 ( -15.128 -1.696 7.282) 16.875 11.803 ( 2.853 4.967 0.357) 5.739 12.223 ( -4.670 -11.970 -10.732) 16.741 12.659 ( -0.816 3.671 1.274) 3.970 12.866 ( -2.053 7.116 -6.463) 9.830 14.768 ( 0.720 -3.815 1.135) 4.045 14.820 ( 4.679 -0.864 3.006) 5.629 15.291 ( 2.979 4.764 2.726) 6.245 15.485 ( 1.423 0.476 -3.854) 4.136 15.968 ( 1.102 3.667 -0.547) 3.868 15.996 ( 2.384 0.494 3.591) 4.339 16.234 ( -0.863 1.857 2.047) 2.895 16.623 ( 7.408 -1.905 0.435) 7.661 ======================= Grid point 78 (36/72) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -1.537 8.518 17.738) 19.737 0.684 ( -8.923 8.977 13.200) 18.288 0.997 ( -1.895 1.548 -9.006) 9.333 1.236 ( -15.239 18.731 12.349) 27.122 1.319 ( -5.101 9.717 -7.162) 13.104 1.336 ( 0.285 1.575 4.741) 5.004 1.443 ( 0.815 -0.338 -0.407) 0.972 1.596 ( 0.532 2.706 -1.992) 3.402 1.971 ( 2.416 6.284 -0.190) 6.735 2.081 ( 4.112 0.872 2.843) 5.075 2.176 ( 4.263 2.073 -5.560) 7.307 2.281 ( 0.701 1.937 0.978) 2.280 2.377 ( -2.629 -1.525 -2.571) 3.981 2.430 ( 2.969 -2.304 -1.218) 3.951 2.690 ( 0.192 1.972 5.951) 6.272 2.789 ( -1.085 3.709 2.031) 4.365 2.827 ( 0.005 -1.855 -0.498) 1.921 2.883 ( 4.938 -2.034 -0.219) 5.345 2.966 ( 0.314 -2.194 -1.120) 2.483 2.984 ( 0.270 -1.190 -4.471) 4.634 3.070 ( 1.307 3.148 -0.157) 3.412 3.121 ( -1.005 0.569 1.389) 1.807 3.168 ( 2.441 2.977 1.854) 4.273 3.203 ( -0.911 2.577 0.212) 2.742 3.349 ( 4.628 -1.719 -1.048) 5.047 3.434 ( 1.283 0.711 -2.901) 3.251 3.506 ( -0.851 -0.668 -5.444) 5.550 3.648 ( 0.395 -2.637 -0.089) 2.668 3.696 ( -5.335 -0.092 -1.774) 5.623 3.819 ( -3.741 1.196 4.455) 5.939 3.930 ( 6.552 3.912 -0.271) 7.636 3.977 ( 1.174 0.815 -3.378) 3.668 4.007 ( 6.152 0.514 2.156) 6.539 4.051 ( 2.396 -2.319 1.476) 3.646 4.126 ( 6.864 2.398 -2.642) 7.736 4.281 ( 5.304 7.166 -1.590) 9.056 4.421 ( -1.849 2.064 -1.140) 2.996 4.530 ( 2.768 -2.360 -4.046) 5.441 4.606 ( -9.880 -3.232 -0.289) 10.399 4.692 ( -1.467 1.619 6.034) 6.417 4.901 ( -0.015 -3.450 3.034) 4.594 4.951 ( -2.634 -2.505 6.257) 7.237 5.104 ( 3.765 -1.875 3.633) 5.558 5.233 ( -2.186 0.207 4.685) 5.174 5.353 ( 4.218 0.677 -4.406) 6.137 5.550 ( -3.259 4.729 -10.626) 12.079 5.673 ( 0.765 1.181 3.922) 4.167 5.768 ( 2.501 3.063 -1.618) 4.273 5.990 ( 3.066 -1.136 2.902) 4.372 6.062 ( 4.696 0.437 -0.847) 4.791 6.072 ( 2.300 -1.361 -2.047) 3.367 6.138 ( 4.148 2.516 -4.120) 6.365 6.246 ( -8.816 -0.656 2.357) 9.150 6.527 ( -4.417 -2.924 -3.482) 6.339 6.616 ( 1.058 -0.217 1.992) 2.266 6.769 ( 1.551 -5.176 -1.572) 5.627 6.840 ( -1.236 -3.333 0.446) 3.583 6.950 ( 1.598 1.302 -0.484) 2.117 6.993 ( 0.564 0.173 -1.999) 2.085 7.095 ( -1.313 -4.622 2.810) 5.567 7.161 ( 0.600 4.895 -0.398) 4.947 7.401 ( 4.343 5.351 6.754) 9.649 7.835 ( 5.203 -1.950 0.492) 5.578 7.959 ( -2.062 0.521 -0.314) 2.150 8.232 ( 1.784 -2.007 7.637) 8.096 8.431 ( -13.966 -11.318 -2.941) 18.215 8.524 ( -8.012 -1.738 -0.913) 8.249 8.818 ( -5.315 -3.598 -3.368) 7.248 10.459 ( 7.956 0.413 -0.551) 7.986 10.509 ( 6.472 -0.061 0.744) 6.515 11.145 ( -12.545 3.067 -0.510) 12.924 11.289 ( -16.305 -0.193 4.322) 16.869 11.780 ( -5.517 -0.784 7.608) 9.430 12.221 ( 7.939 3.176 -16.906) 18.945 12.648 ( -0.352 2.952 0.293) 2.988 12.790 ( -4.489 6.432 -6.586) 10.243 14.782 ( -0.375 -5.158 5.487) 7.540 14.911 ( 3.609 -1.375 2.375) 4.534 15.316 ( -0.478 3.502 -8.469) 9.177 15.486 ( -0.853 1.671 -7.277) 7.515 15.974 ( 0.848 2.831 0.461) 2.991 16.174 ( 5.767 1.393 3.915) 7.108 16.261 ( 10.612 0.332 13.732) 17.358 16.745 ( 4.267 -3.476 0.668) 5.544 ======================= Grid point 79 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -2.856 13.403 8.979) 16.383 0.956 ( 2.523 14.786 5.214) 15.881 1.110 ( 4.211 4.117 -0.466) 5.907 1.343 ( -1.550 2.266 3.355) 4.335 1.422 ( -1.674 6.595 -5.740) 8.902 1.503 ( -1.270 8.395 -3.407) 9.149 1.612 ( 2.767 15.272 2.998) 15.808 1.722 ( 1.956 8.877 4.455) 10.123 1.967 ( -1.368 -3.594 -0.851) 3.938 2.144 ( 3.431 -2.235 -1.702) 4.435 2.184 ( -4.938 0.115 -0.877) 5.016 2.215 ( 0.073 -5.355 -5.069) 7.374 2.364 ( 0.558 0.721 4.144) 4.243 2.480 ( 2.078 -0.411 1.385) 2.530 2.776 ( -2.125 4.867 5.500) 7.645 2.826 ( 0.838 -1.551 2.475) 3.039 2.832 ( -0.269 2.749 0.849) 2.890 2.928 ( 0.230 -0.894 -2.171) 2.359 2.959 ( -1.014 1.557 -3.144) 3.652 3.052 ( -4.172 0.898 0.259) 4.275 3.071 ( 3.377 -1.223 1.691) 3.970 3.108 ( 5.496 -2.602 0.632) 6.113 3.195 ( 0.084 4.179 0.110) 4.181 3.335 ( 2.361 2.845 -2.368) 4.390 3.353 ( -1.930 5.454 -0.558) 5.812 3.430 ( -2.213 -0.637 1.069) 2.539 3.501 ( 1.429 -0.711 -1.475) 2.174 3.542 ( -1.334 -4.702 -2.046) 5.299 3.719 ( 4.939 -0.358 -2.257) 5.442 3.776 ( -1.717 1.083 0.341) 2.058 3.870 ( -2.589 -3.522 -1.884) 4.760 3.985 ( -1.951 0.204 -1.603) 2.533 4.122 ( 1.396 -2.681 -0.650) 3.092 4.194 ( 3.606 4.909 3.719) 7.137 4.225 ( 1.013 -0.597 -1.724) 2.086 4.381 ( -4.744 2.472 -6.810) 8.660 4.458 ( 3.357 3.202 0.229) 4.645 4.547 ( -5.592 0.124 0.498) 5.615 4.582 ( 3.127 1.574 -0.947) 3.626 4.644 ( 2.137 0.807 0.225) 2.296 4.802 ( -3.803 -3.171 5.449) 7.363 4.878 ( 0.658 -2.494 4.653) 5.320 5.135 ( 2.454 -3.349 6.020) 7.313 5.181 ( -2.741 -1.952 7.208) 7.955 5.451 ( 2.992 1.360 -4.696) 5.732 5.555 ( -5.768 5.540 -7.067) 10.673 5.769 ( 4.543 0.925 0.638) 4.680 5.826 ( -0.952 0.489 -3.098) 3.278 6.026 ( 3.162 -1.167 0.148) 3.374 6.057 ( -0.460 0.296 -0.162) 0.571 6.111 ( -2.031 0.929 0.312) 2.254 6.203 ( 2.586 -0.388 -1.586) 3.058 6.252 ( 4.205 -0.244 0.730) 4.275 6.300 ( -5.318 -3.921 -1.144) 6.705 6.634 ( -0.983 -1.653 1.430) 2.396 6.683 ( -0.076 -3.366 -1.169) 3.564 6.760 ( 2.406 -4.205 1.845) 5.184 6.824 ( -6.357 -4.177 0.819) 7.650 6.997 ( 0.310 0.823 -3.687) 3.790 7.035 ( -1.275 0.313 -2.981) 3.257 7.346 ( 3.704 6.538 3.255) 8.190 7.452 ( -4.390 5.451 1.753) 7.216 7.823 ( 2.222 -3.099 -0.772) 3.890 7.953 ( -6.554 -1.451 -3.907) 7.767 8.180 ( 8.194 -6.354 9.223) 13.878 8.227 ( 4.429 -2.582 3.795) 6.379 8.469 ( -1.762 4.437 -1.041) 4.886 8.628 ( -3.133 -4.339 -5.037) 7.349 10.624 ( -1.199 0.827 1.980) 2.457 10.630 ( 1.888 1.143 1.153) 2.490 11.018 ( 3.790 -1.662 0.025) 4.139 11.030 ( -4.053 -1.586 0.003) 4.352 11.849 ( -1.858 10.428 8.996) 13.897 12.405 ( 5.079 -3.736 -11.314) 12.952 12.717 ( 1.359 2.684 -1.269) 3.265 12.749 ( -2.700 2.150 -3.111) 4.647 14.735 ( -1.910 1.936 6.963) 7.475 14.921 ( 0.810 -2.102 1.473) 2.692 15.362 ( -0.835 3.611 -8.480) 9.254 15.450 ( -2.842 0.625 -8.021) 8.533 16.068 ( 1.751 3.324 3.476) 5.119 16.214 ( -1.195 2.244 -2.138) 3.322 16.421 ( 5.126 -5.957 10.443) 13.070 16.636 ( -2.011 -7.144 -1.016) 7.491 ======================= Grid point 80 (38/72) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -3.679 17.077 5.441) 18.296 1.061 ( 5.946 11.215 7.659) 14.825 1.207 ( 5.108 1.792 3.088) 6.232 1.332 ( -0.366 2.163 2.366) 3.227 1.396 ( 0.698 5.160 -3.149) 6.085 1.467 ( -1.449 1.009 -9.167) 9.335 1.694 ( 4.067 15.936 -0.280) 16.449 1.795 ( 3.185 2.248 4.189) 5.723 1.940 ( -0.789 1.223 2.539) 2.927 2.087 ( -4.114 -2.013 -4.174) 6.197 2.155 ( -0.382 -4.134 -5.239) 6.685 2.241 ( 1.609 -4.583 -1.425) 5.062 2.390 ( 0.970 5.811 4.418) 7.364 2.481 ( -2.105 3.883 1.941) 4.824 2.725 ( -3.265 2.680 2.592) 4.956 2.791 ( -3.416 -2.367 -1.580) 4.446 2.839 ( -0.339 0.271 1.019) 1.107 2.922 ( -2.619 0.778 1.876) 3.314 2.941 ( 1.027 3.110 1.181) 3.481 2.987 ( 0.053 2.947 -0.745) 3.040 3.106 ( -0.551 -0.425 2.706) 2.794 3.177 ( 3.076 1.937 -2.352) 4.330 3.242 ( -0.457 0.551 1.643) 1.792 3.309 ( -1.505 7.556 -1.780) 7.907 3.385 ( -2.157 0.263 1.934) 2.910 3.428 ( 8.186 0.008 -1.090) 8.258 3.472 ( -1.669 -2.015 -2.626) 3.707 3.552 ( 0.818 0.199 -2.777) 2.902 3.725 ( -4.177 0.259 -4.755) 6.335 3.788 ( 1.617 -0.870 -3.619) 4.058 3.884 ( 2.223 -6.164 5.537) 8.579 3.945 ( -1.259 -0.250 -0.244) 1.306 4.081 ( -4.462 -1.011 2.107) 5.037 4.179 ( -6.162 7.068 -0.247) 9.380 4.214 ( -1.676 -1.125 -0.580) 2.100 4.282 ( -3.977 2.285 -0.719) 4.643 4.426 ( -2.342 -0.046 -3.611) 4.304 4.502 ( 1.311 1.594 -4.845) 5.266 4.587 ( -0.654 -0.542 -0.823) 1.183 4.658 ( -4.305 -1.820 5.244) 7.025 4.831 ( 4.370 -3.682 2.293) 6.158 4.899 ( 0.691 -3.247 5.566) 6.481 5.134 ( -2.729 -2.936 3.846) 5.555 5.160 ( -1.957 -2.457 6.804) 7.494 5.438 ( -2.136 0.600 -4.447) 4.969 5.467 ( -1.425 3.598 -4.210) 5.718 5.790 ( -1.356 2.569 1.013) 3.077 5.841 ( 1.699 0.504 -4.620) 4.948 5.996 ( -4.632 1.977 2.504) 5.625 6.060 ( -0.970 0.282 -2.224) 2.443 6.102 ( 2.331 -1.941 -1.604) 3.431 6.184 ( -4.264 -0.721 2.255) 4.877 6.259 ( 0.960 -1.716 -5.591) 5.926 6.364 ( 4.317 -3.711 1.527) 5.894 6.576 ( -4.512 -0.068 -0.728) 4.571 6.596 ( -3.127 -2.374 1.413) 4.173 6.795 ( -0.060 -1.612 3.405) 3.768 6.849 ( 6.800 -0.132 -0.658) 6.833 6.995 ( 0.373 0.844 -1.841) 2.060 7.033 ( 1.127 -3.753 -0.953) 4.033 7.354 ( -3.061 10.091 0.609) 10.562 7.447 ( 4.196 6.976 3.540) 8.877 7.853 ( 0.504 -2.451 -1.177) 2.766 7.968 ( 6.427 -3.457 1.834) 7.525 8.174 ( -3.881 -5.250 2.618) 7.034 8.388 ( 1.431 -9.659 -1.219) 9.840 8.494 ( 3.900 3.148 -0.362) 5.026 8.652 ( 9.352 -1.493 -2.248) 9.733 10.486 ( -8.826 0.800 0.248) 8.866 10.526 ( -8.373 -0.152 1.181) 8.457 11.165 ( 13.370 -0.604 -0.210) 13.386 11.276 ( 16.760 -6.169 1.157) 17.896 11.810 ( -3.331 10.338 6.728) 12.776 12.344 ( -7.123 -4.094 -7.384) 11.047 12.747 ( 2.130 3.877 0.509) 4.453 12.800 ( 6.284 2.012 -6.229) 9.074 14.700 ( -2.708 3.279 5.855) 7.236 14.912 ( -2.059 -1.937 2.034) 3.482 15.322 ( -1.921 4.268 -4.649) 6.596 15.379 ( -2.081 0.598 -7.406) 7.716 16.092 ( -0.303 2.529 3.599) 4.409 16.187 ( -0.613 2.846 -2.405) 3.776 16.436 ( -4.377 -5.703 7.558) 10.431 16.589 ( -2.830 -5.904 -1.064) 6.633 ======================= Grid point 81 (39/72) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 7.702 10.214 4.301) 13.496 1.179 ( 3.782 6.948 3.557) 8.673 1.306 ( 3.257 0.260 1.536) 3.611 1.327 ( 0.306 0.214 -3.792) 3.810 1.414 ( 1.448 -2.399 1.763) 3.311 1.474 ( 4.600 4.248 -6.210) 8.819 1.724 ( 0.945 7.006 -9.800) 12.084 1.835 ( -0.463 1.609 3.665) 4.029 1.946 ( -0.709 1.629 4.569) 4.902 2.017 ( -1.199 1.741 -4.623) 5.084 2.141 ( -0.583 -3.983 -3.440) 5.295 2.240 ( -0.726 -3.134 -1.971) 3.773 2.377 ( -3.711 8.804 4.602) 10.604 2.441 ( -2.052 4.912 -0.151) 5.326 2.657 ( -3.006 3.014 0.189) 4.261 2.762 ( 0.241 0.234 -1.410) 1.449 2.833 ( -0.492 2.580 3.467) 4.349 2.885 ( -1.294 1.912 2.516) 3.415 2.930 ( -1.435 0.114 -0.384) 1.490 3.036 ( 2.162 4.962 1.674) 5.665 3.064 ( -2.083 -0.110 3.301) 3.905 3.187 ( -2.867 3.553 -0.413) 4.584 3.237 ( -1.581 2.923 -0.044) 3.324 3.285 ( 3.540 -0.428 2.038) 4.107 3.375 ( -2.001 3.580 0.732) 4.167 3.456 ( -0.161 1.629 -0.532) 1.722 3.530 ( 0.786 2.698 -3.623) 4.585 3.597 ( 0.078 1.570 -4.053) 4.348 3.621 ( 3.056 -0.417 -0.646) 3.151 3.821 ( -3.622 -1.142 1.961) 4.274 3.842 ( -0.697 1.859 0.347) 2.015 3.910 ( -2.701 -4.083 -0.314) 4.906 4.006 ( -4.723 1.100 4.280) 6.468 4.102 ( -1.586 2.118 -1.221) 2.914 4.163 ( -1.213 -2.559 -2.919) 4.067 4.203 ( -2.601 2.960 1.180) 4.113 4.438 ( 1.788 1.344 -3.573) 4.215 4.486 ( -3.184 -1.716 -1.527) 3.926 4.523 ( -4.324 -4.519 -0.923) 6.322 4.605 ( -0.509 -2.052 1.201) 2.432 4.855 ( -3.311 -4.625 2.893) 6.382 4.925 ( 0.056 -4.382 1.248) 4.557 5.087 ( -2.733 -2.395 9.189) 9.881 5.140 ( 1.064 -3.492 -0.367) 3.669 5.395 ( -1.326 1.775 -4.208) 4.756 5.461 ( 0.195 1.374 -2.624) 2.968 5.755 ( -2.288 3.202 2.448) 4.635 5.829 ( -1.605 0.262 -1.409) 2.152 5.942 ( -1.572 2.121 1.140) 2.876 6.028 ( -6.327 0.474 1.089) 6.437 6.057 ( 0.729 -2.413 -3.551) 4.354 6.151 ( 0.335 -0.237 -4.356) 4.375 6.266 ( 0.572 -2.388 -3.007) 3.882 6.407 ( -0.240 -3.873 3.558) 5.265 6.551 ( -1.944 -3.991 3.835) 5.866 6.585 ( 4.464 -2.532 -4.448) 6.791 6.789 ( -0.474 2.516 2.821) 3.810 6.952 ( 2.231 1.549 -1.193) 2.966 6.995 ( -0.775 -0.037 0.718) 1.058 7.090 ( 4.564 -2.932 -0.697) 5.469 7.377 ( 6.195 10.232 2.636) 12.249 7.520 ( 2.063 7.638 3.282) 8.566 7.874 ( 1.383 -2.440 0.041) 2.805 7.995 ( -4.858 0.378 -3.759) 6.154 8.153 ( 1.161 -8.351 4.409) 9.514 8.319 ( -4.296 -8.911 -4.963) 11.067 8.634 ( 9.243 2.675 0.449) 9.633 8.864 ( 9.792 -3.552 -0.199) 10.418 10.329 ( -6.597 0.363 -0.320) 6.614 10.402 ( -4.310 -2.824 0.077) 5.153 11.424 ( 11.138 0.359 -0.513) 11.156 11.564 ( 9.552 -5.250 4.327) 11.727 11.786 ( 2.006 6.904 2.017) 7.467 12.193 ( -5.557 -3.830 -3.997) 7.844 12.790 ( 1.695 5.221 1.259) 5.632 12.901 ( 4.800 1.571 -6.613) 8.321 14.663 ( -1.814 3.284 3.818) 5.353 14.855 ( -3.867 -1.978 2.352) 4.939 15.276 ( -1.690 4.265 -1.386) 4.793 15.350 ( 0.014 -0.333 -4.145) 4.158 16.076 ( -1.408 1.386 -0.227) 1.988 16.175 ( -0.746 1.594 -0.308) 1.787 16.353 ( -4.033 -2.347 2.985) 5.540 16.500 ( -5.800 -2.989 0.459) 6.541 ======================= Grid point 82 (40/72) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 7.064 3.874 0.468) 8.070 1.181 ( -3.714 3.135 -4.284) 6.479 1.314 ( 2.450 -0.797 -8.688) 9.062 1.367 ( 1.850 -0.565 -4.140) 4.570 1.484 ( 3.398 -0.885 5.648) 6.650 1.572 ( 5.183 0.273 -1.518) 5.408 1.735 ( 2.234 6.147 -8.771) 10.941 1.803 ( -1.869 2.229 -0.462) 2.945 1.913 ( -2.275 2.167 2.385) 3.945 2.027 ( 1.587 7.302 -1.177) 7.565 2.103 ( -2.121 0.042 -1.137) 2.407 2.226 ( -0.170 -2.263 -2.489) 3.369 2.312 ( -3.039 6.050 2.741) 7.304 2.376 ( -4.447 4.194 0.370) 6.124 2.635 ( 0.770 2.069 2.318) 3.201 2.753 ( -0.709 1.242 0.329) 1.468 2.836 ( -0.706 0.897 3.640) 3.814 2.861 ( -1.921 3.068 0.211) 3.627 2.913 ( 0.048 1.679 1.726) 2.408 3.008 ( -4.595 3.098 4.049) 6.864 3.062 ( 0.657 -2.449 0.768) 2.650 3.151 ( 0.672 3.468 0.003) 3.532 3.274 ( -2.528 5.811 -1.446) 6.501 3.298 ( 1.518 0.584 5.474) 5.711 3.337 ( 1.628 1.674 -0.794) 2.467 3.444 ( -0.531 4.187 -0.402) 4.240 3.537 ( -1.314 1.626 -1.253) 2.437 3.581 ( 2.615 -2.284 -2.024) 4.019 3.719 ( -2.854 1.460 1.621) 3.592 3.745 ( 3.380 1.008 -0.057) 3.528 3.840 ( -0.701 -0.947 3.223) 3.432 3.894 ( 0.883 0.512 0.267) 1.055 3.918 ( -4.357 1.214 1.423) 4.742 4.051 ( -2.075 1.354 -2.035) 3.206 4.152 ( -2.726 0.196 1.523) 3.129 4.190 ( 1.749 0.021 -3.860) 4.238 4.412 ( -3.986 -0.911 1.723) 4.437 4.450 ( 1.543 2.364 0.755) 2.923 4.487 ( 0.939 -7.906 -4.038) 8.927 4.599 ( -0.704 -2.821 -0.106) 2.910 4.780 ( -3.766 -4.551 -1.931) 6.215 4.843 ( -6.205 -4.092 0.365) 7.442 5.114 ( 2.164 -0.896 5.700) 6.163 5.178 ( 2.478 -2.316 -0.397) 3.415 5.364 ( -1.244 2.754 -1.743) 3.488 5.434 ( -2.150 -0.327 -2.508) 3.320 5.736 ( -0.285 1.764 2.660) 3.204 5.788 ( -1.914 -1.254 0.229) 2.299 5.882 ( -3.888 1.822 1.642) 4.597 5.975 ( 0.137 1.398 -1.492) 2.049 6.067 ( -0.651 -4.183 -2.539) 4.936 6.151 ( 1.764 -0.359 -4.683) 5.017 6.277 ( 0.664 -3.577 -0.529) 3.677 6.387 ( -1.566 -4.273 1.402) 4.762 6.530 ( -1.229 -4.696 6.279) 7.937 6.673 ( 4.303 -3.738 -2.204) 6.111 6.809 ( 2.534 4.050 -1.804) 5.107 6.945 ( -1.483 -0.491 -0.247) 1.581 6.982 ( -0.922 2.137 2.170) 3.182 7.173 ( 4.369 1.575 -5.216) 6.984 7.519 ( 0.577 10.439 4.377) 11.334 7.568 ( 5.249 2.913 7.522) 9.624 7.853 ( -7.088 2.106 -0.232) 7.398 7.905 ( 2.241 -3.427 -6.017) 7.278 8.148 ( -1.468 -5.441 1.063) 5.735 8.256 ( -1.485 -8.141 -3.942) 9.166 8.818 ( 8.366 0.910 1.701) 8.586 8.998 ( 3.563 -2.690 0.120) 4.467 10.240 ( -2.419 -0.512 0.055) 2.473 10.341 ( -2.197 -4.702 -1.019) 5.289 11.563 ( 3.473 3.340 0.399) 4.835 11.630 ( -0.675 1.784 3.388) 3.888 11.919 ( 7.650 -0.921 1.047) 7.777 12.134 ( -0.262 -5.893 -2.454) 6.389 12.812 ( 0.315 5.901 1.424) 6.078 12.958 ( 2.510 1.706 -5.928) 6.660 14.649 ( -0.193 2.046 2.556) 3.280 14.783 ( -3.624 -2.072 1.842) 4.563 15.259 ( -0.022 4.016 1.468) 4.276 15.356 ( 1.195 -1.094 -1.608) 2.283 16.043 ( -1.620 1.055 -2.783) 3.389 16.144 ( -2.251 -0.478 -2.160) 3.156 16.314 ( -0.146 0.084 1.534) 1.543 16.387 ( -5.367 -0.563 1.939) 5.734 ======================= Grid point 83 (41/72) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -8.195 2.445 -8.188) 11.840 1.065 ( -0.307 2.750 -3.291) 4.300 1.330 ( -2.050 -2.486 -6.635) 7.376 1.399 ( 3.298 0.589 -6.579) 7.383 1.528 ( -0.616 -0.154 3.206) 3.268 1.629 ( 0.361 -2.190 -0.570) 2.292 1.730 ( 0.483 6.153 -2.811) 6.781 1.835 ( 1.262 6.587 -5.849) 8.899 1.901 ( 3.762 5.138 4.967) 8.076 2.057 ( 1.608 9.637 -4.326) 10.685 2.086 ( 0.235 -2.464 0.367) 2.502 2.220 ( -0.979 1.795 -0.975) 2.266 2.268 ( -2.418 3.085 2.947) 4.904 2.298 ( -1.015 4.430 0.557) 4.578 2.678 ( 1.946 -0.493 4.032) 4.504 2.755 ( -0.216 0.146 0.965) 1.000 2.815 ( 0.034 -1.020 3.071) 3.236 2.858 ( 1.828 3.030 0.580) 3.586 2.910 ( -1.316 3.258 0.372) 3.534 2.945 ( -1.983 0.992 5.823) 6.231 3.052 ( -0.080 -0.663 -1.656) 1.786 3.188 ( -3.473 4.749 -1.286) 6.022 3.210 ( 1.567 2.258 2.157) 3.494 3.336 ( 0.771 0.078 4.925) 4.985 3.371 ( 1.225 1.738 -1.765) 2.763 3.445 ( 0.434 3.850 0.358) 3.891 3.529 ( -0.240 1.460 -1.925) 2.428 3.607 ( 1.371 -2.965 -1.088) 3.443 3.684 ( -0.267 1.438 2.279) 2.708 3.799 ( 1.128 0.290 0.132) 1.172 3.819 ( -3.041 2.436 4.297) 5.801 3.876 ( -0.132 -0.807 1.381) 1.605 3.910 ( 1.370 0.439 1.368) 1.985 4.035 ( 0.265 2.355 -1.396) 2.751 4.109 ( -0.852 1.429 -1.270) 2.093 4.203 ( -0.182 0.182 -4.270) 4.278 4.368 ( 0.707 -2.307 1.566) 2.877 4.441 ( -1.571 -3.784 -1.352) 4.314 4.535 ( -2.730 -1.511 2.764) 4.169 4.610 ( 5.592 -2.724 1.440) 6.385 4.709 ( -0.941 -3.160 -3.000) 4.457 4.770 ( -1.087 -4.787 -5.288) 7.215 5.146 ( -0.733 2.531 3.204) 4.149 5.220 ( 2.017 0.192 0.668) 2.133 5.336 ( -1.232 1.636 0.573) 2.126 5.411 ( 1.060 -3.372 -3.838) 5.218 5.713 ( -2.085 1.122 1.729) 2.931 5.794 ( 1.555 -3.303 -0.013) 3.650 5.833 ( -1.352 2.657 3.687) 4.742 5.975 ( -0.148 2.926 -2.049) 3.575 6.038 ( -0.734 -3.945 -2.713) 4.844 6.187 ( 1.713 -0.384 -5.382) 5.661 6.257 ( -2.080 -4.133 2.044) 5.058 6.383 ( 0.403 -7.263 1.318) 7.393 6.542 ( 1.390 -5.132 4.670) 7.076 6.741 ( 2.745 -0.309 3.745) 4.653 6.853 ( 1.667 0.739 -4.245) 4.620 6.928 ( 0.235 -1.153 -1.734) 2.096 6.977 ( 0.877 2.975 -1.302) 3.363 7.221 ( 1.073 1.833 -6.767) 7.092 7.487 ( -3.198 8.098 3.875) 9.530 7.574 ( -7.565 4.804 13.952) 16.582 7.730 ( -3.435 3.209 -5.492) 7.229 8.027 ( 9.817 -3.266 -1.962) 10.531 8.137 ( 0.138 -4.964 0.329) 4.977 8.213 ( -2.207 -7.323 -5.011) 9.144 8.928 ( 0.594 0.294 3.019) 3.091 9.019 ( 0.171 -1.677 -0.669) 1.813 10.227 ( 0.688 -1.395 0.999) 1.849 10.306 ( -1.021 -5.098 -2.092) 5.604 11.574 ( -1.943 5.874 2.638) 6.726 11.650 ( 3.043 1.677 0.127) 3.477 11.992 ( -1.387 -0.365 2.140) 2.577 12.134 ( -0.155 -8.410 -2.432) 8.756 12.809 ( -0.863 6.054 1.174) 6.227 12.982 ( 1.123 1.625 -5.321) 5.675 14.667 ( 1.562 0.623 2.225) 2.789 14.730 ( -1.906 -1.816 1.423) 2.993 15.279 ( 1.567 4.057 2.875) 5.213 15.388 ( 2.198 -1.330 -0.608) 2.640 16.003 ( -1.662 0.998 -2.874) 3.467 16.087 ( -2.586 -0.272 -4.872) 5.522 16.312 ( -2.667 0.971 2.947) 4.091 16.352 ( 3.497 -0.459 1.307) 3.762 ======================= Grid point 84 (42/72) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -7.661 4.888 -2.951) 9.554 1.046 ( -1.152 2.340 -1.449) 2.984 1.233 ( -5.798 -2.148 -4.983) 7.941 1.408 ( -2.253 6.062 -3.906) 7.555 1.472 ( -3.167 -1.692 -0.670) 3.653 1.609 ( -1.608 -0.111 -1.671) 2.321 1.753 ( 0.885 6.667 -2.121) 7.052 1.821 ( -0.437 4.254 -3.102) 5.283 2.030 ( 3.448 3.455 -0.800) 4.947 2.051 ( 0.261 4.910 0.485) 4.941 2.082 ( 0.844 -0.868 -2.421) 2.707 2.203 ( -0.243 2.090 -0.876) 2.279 2.264 ( 3.295 5.300 2.417) 6.692 2.350 ( 3.655 1.235 1.274) 4.063 2.699 ( -1.530 1.329 1.627) 2.599 2.733 ( -0.219 -1.806 0.871) 2.017 2.857 ( 1.387 -0.074 3.151) 3.444 2.888 ( 1.001 2.747 1.749) 3.407 2.913 ( 1.397 -0.054 -1.440) 2.007 2.948 ( 1.491 1.749 1.603) 2.803 3.063 ( -3.507 2.897 2.413) 5.149 3.116 ( 2.896 5.956 2.054) 6.934 3.239 ( 0.057 1.304 1.874) 2.284 3.345 ( -0.984 1.747 3.611) 4.131 3.377 ( -0.362 2.486 -3.242) 4.101 3.445 ( -1.578 1.760 -3.179) 3.962 3.520 ( 1.513 0.763 0.878) 1.908 3.645 ( 2.806 -1.669 0.142) 3.268 3.691 ( -2.239 3.769 -0.016) 4.384 3.761 ( 0.951 -2.014 3.413) 4.075 3.830 ( 2.369 3.513 0.922) 4.336 3.918 ( 2.712 -0.383 1.516) 3.130 3.933 ( -0.533 -1.970 0.493) 2.100 4.024 ( -1.376 3.102 1.118) 3.573 4.119 ( 2.057 1.142 -2.383) 3.349 4.172 ( -1.071 0.054 -2.226) 2.471 4.396 ( -0.152 -1.215 -1.396) 1.857 4.432 ( 0.577 -4.966 -0.586) 5.033 4.527 ( 5.744 -1.010 -2.339) 6.283 4.669 ( 1.421 -3.316 1.250) 3.818 4.731 ( -1.524 -5.302 -4.434) 7.078 4.801 ( 6.030 -3.802 3.982) 8.166 5.098 ( -3.969 3.994 3.635) 6.702 5.270 ( 2.477 0.148 -0.751) 2.592 5.323 ( -0.497 0.863 0.908) 1.348 5.441 ( 2.505 -4.915 -3.685) 6.634 5.695 ( 0.393 0.885 1.641) 1.905 5.819 ( 1.043 1.931 1.018) 2.419 5.849 ( 2.104 -0.788 3.111) 3.838 5.976 ( 1.111 4.562 -3.335) 5.759 6.021 ( -0.648 -3.339 -3.175) 4.653 6.156 ( -2.941 -1.110 -0.478) 3.180 6.283 ( 4.155 -3.081 -4.157) 6.636 6.388 ( -0.483 -6.592 3.206) 7.346 6.572 ( 0.492 -5.782 0.490) 5.824 6.784 ( -0.366 0.452 9.217) 9.235 6.863 ( 0.349 0.011 -4.923) 4.936 6.946 ( 2.219 -0.289 -0.663) 2.334 7.001 ( 1.173 -0.445 -5.074) 5.226 7.174 ( -4.484 -1.220 -3.003) 5.533 7.401 ( -7.248 9.882 6.745) 13.989 7.453 ( -3.480 6.491 6.237) 9.651 7.709 ( 1.712 5.337 -4.134) 6.965 8.117 ( -4.111 -5.325 -1.091) 6.815 8.128 ( -0.179 -5.311 0.898) 5.389 8.252 ( 8.532 -6.278 -3.993) 11.320 8.844 ( -7.751 0.875 1.614) 7.966 9.011 ( -2.593 -2.939 0.111) 3.921 10.258 ( 2.117 -1.722 0.460) 2.767 10.306 ( 1.794 -3.577 -1.433) 4.251 11.534 ( -2.623 6.310 0.830) 6.884 11.707 ( -0.201 -0.531 4.255) 4.293 11.908 ( -4.556 2.650 -0.136) 5.273 12.087 ( -4.019 -9.285 -2.573) 10.439 12.787 ( -1.453 5.939 0.484) 6.133 12.980 ( -0.421 1.270 -4.925) 5.103 14.714 ( 0.070 -1.081 1.254) 1.657 14.719 ( 3.020 -0.521 2.832) 4.173 15.327 ( 2.650 3.989 1.481) 5.012 15.436 ( 2.754 -0.975 -1.068) 3.111 15.978 ( -0.084 1.264 -0.117) 1.273 16.035 ( -1.477 0.388 -4.955) 5.185 16.288 ( -0.584 2.220 2.407) 3.326 16.447 ( 5.612 -1.995 0.891) 6.022 ======================= Grid point 85 (43/72) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.515 7.597 6.470) 9.992 0.998 ( -3.892 5.359 1.658) 6.827 1.108 ( -5.562 1.086 -1.700) 5.916 1.356 ( -0.454 6.059 -0.072) 6.077 1.433 ( -0.881 0.142 -4.007) 4.105 1.569 ( -1.612 2.771 -3.278) 4.585 1.717 ( -3.734 7.146 -4.524) 9.245 1.799 ( -2.166 9.131 0.552) 9.400 2.004 ( -1.200 -2.636 0.839) 3.015 2.068 ( 0.460 1.087 -0.226) 1.201 2.163 ( 4.241 1.428 -3.904) 5.938 2.213 ( 1.570 -1.617 0.188) 2.262 2.370 ( 4.878 2.949 3.457) 6.666 2.398 ( 0.549 1.448 -0.475) 1.619 2.679 ( 1.242 2.226 0.226) 2.559 2.739 ( 1.114 -1.578 -0.876) 2.121 2.843 ( -1.440 3.225 0.963) 3.661 2.897 ( -2.102 1.201 4.517) 5.125 2.950 ( 1.039 2.919 -0.005) 3.099 2.982 ( 2.595 0.835 -0.289) 2.741 3.021 ( -0.207 1.074 1.951) 2.236 3.194 ( 0.440 4.134 2.271) 4.737 3.257 ( 2.850 1.062 4.056) 5.070 3.314 ( -2.091 5.971 -0.967) 6.400 3.335 ( -3.010 1.262 -2.208) 3.940 3.412 ( 0.216 2.003 -4.253) 4.706 3.559 ( 0.638 0.779 1.020) 1.433 3.616 ( -3.090 1.015 -2.075) 3.858 3.741 ( 5.636 -0.843 -0.421) 5.714 3.825 ( 1.456 -4.878 2.048) 5.487 3.850 ( -3.304 -0.962 -0.397) 3.464 3.928 ( 4.984 4.511 3.687) 7.667 3.973 ( 2.585 0.178 0.858) 2.730 4.012 ( 1.001 2.569 -0.847) 2.885 4.126 ( 0.862 2.406 -1.893) 3.181 4.241 ( 6.160 0.537 -1.348) 6.329 4.381 ( 1.261 -1.659 -3.310) 3.911 4.473 ( 2.375 -2.265 -4.134) 5.278 4.632 ( -0.820 -6.037 0.863) 6.153 4.689 ( 2.315 -0.807 -1.551) 2.901 4.732 ( 3.974 -2.704 3.109) 5.725 4.908 ( 3.618 -5.575 6.067) 8.999 5.029 ( -3.388 2.445 4.640) 6.244 5.275 ( -2.644 -1.062 4.372) 5.218 5.326 ( 1.536 1.372 -4.202) 4.680 5.507 ( 5.170 -3.753 -4.128) 7.606 5.737 ( 3.449 1.257 0.345) 3.688 5.820 ( -1.516 5.279 0.828) 5.554 5.938 ( 6.087 -0.680 0.802) 6.177 5.971 ( -1.240 1.155 -1.820) 2.487 6.019 ( 0.820 -0.953 -1.446) 1.916 6.131 ( 1.639 1.121 -3.296) 3.848 6.319 ( -2.738 -5.846 0.592) 6.483 6.405 ( 3.682 -2.661 -1.550) 4.800 6.575 ( 0.570 -4.663 -1.386) 4.898 6.775 ( -1.687 -2.221 7.337) 7.849 6.801 ( -6.030 -0.906 -4.543) 7.604 6.971 ( -3.948 -2.903 0.949) 4.992 7.002 ( 2.665 2.295 -0.936) 3.640 7.091 ( -2.247 -0.742 1.167) 2.638 7.313 ( -2.014 10.373 -0.898) 10.604 7.446 ( 0.979 4.595 7.747) 9.060 7.754 ( 3.071 3.867 -3.155) 5.860 8.013 ( -5.022 -3.563 -1.811) 6.418 8.126 ( -0.235 -4.504 2.582) 5.197 8.364 ( 1.909 -9.189 -3.335) 9.960 8.676 ( -8.553 1.928 0.449) 8.779 8.897 ( -8.593 -4.239 -0.380) 9.589 10.326 ( 5.452 -0.451 -0.655) 5.510 10.373 ( 5.047 -1.630 0.469) 5.324 11.433 ( -9.317 3.289 -0.757) 9.910 11.563 ( -13.028 -1.526 4.572) 13.890 11.874 ( -2.796 2.208 5.828) 6.830 12.066 ( 6.282 -3.019 -7.945) 10.569 12.755 ( -1.869 5.086 -0.139) 5.421 12.940 ( -2.758 0.643 -4.923) 5.679 14.727 ( 0.618 -0.273 3.378) 3.445 14.797 ( 4.074 -1.290 2.104) 4.763 15.375 ( 2.083 3.366 -3.751) 5.453 15.485 ( 2.251 -0.506 -2.772) 3.606 16.006 ( 0.804 0.815 -0.054) 1.146 16.030 ( 4.055 1.673 2.142) 4.881 16.287 ( -0.199 3.307 1.749) 3.746 16.561 ( 5.413 -4.034 0.603) 6.778 ======================= Grid point 86 (44/72) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 2.691 9.033 11.037) 14.514 0.937 ( -1.624 12.881 3.362) 13.411 1.052 ( 0.860 4.137 -1.014) 4.345 1.367 ( -0.415 3.216 2.884) 4.340 1.429 ( 1.207 2.606 -3.918) 4.858 1.552 ( 0.382 6.479 -1.152) 6.592 1.608 ( -5.184 10.819 -6.778) 13.780 1.738 ( -3.796 14.993 5.546) 16.431 1.987 ( -0.711 -4.236 -0.393) 4.313 2.085 ( 1.771 0.220 -0.839) 1.972 2.210 ( 1.744 -1.005 -4.091) 4.559 2.251 ( 0.056 -3.290 0.743) 3.373 2.366 ( -1.601 -1.661 -0.034) 2.308 2.432 ( 1.327 2.121 2.750) 3.717 2.738 ( 3.346 0.790 1.700) 3.835 2.817 ( 2.674 -0.825 -0.486) 2.840 2.854 ( -2.096 2.838 5.292) 6.360 2.859 ( 6.304 2.909 1.138) 7.036 2.956 ( -1.900 2.833 -0.457) 3.441 2.982 ( 0.806 1.346 -2.294) 2.779 3.062 ( 1.942 -2.580 2.928) 4.359 3.162 ( -3.577 2.032 -1.506) 4.381 3.239 ( -4.012 1.382 -0.364) 4.259 3.309 ( 0.877 2.451 -2.469) 3.588 3.323 ( 3.089 5.156 0.861) 6.072 3.449 ( 3.343 0.915 -1.592) 3.815 3.502 ( -4.551 0.444 -1.672) 4.869 3.586 ( -1.858 -2.872 0.470) 3.453 3.714 ( -4.026 1.130 -0.031) 4.181 3.809 ( -0.662 -0.382 0.142) 0.778 3.899 ( 1.199 -4.239 -2.149) 4.902 3.996 ( 2.357 -0.917 -1.306) 2.846 4.051 ( 3.698 1.746 -0.356) 4.105 4.089 ( 6.123 5.055 2.961) 8.475 4.174 ( 4.024 1.747 -3.363) 5.527 4.346 ( 4.984 0.066 0.233) 4.990 4.453 ( 6.436 -0.195 -3.035) 7.118 4.485 ( -1.215 -0.808 -6.083) 6.255 4.581 ( -1.358 0.400 1.020) 1.745 4.698 ( -3.087 -0.168 6.215) 6.942 4.828 ( 3.679 -4.331 2.539) 6.224 4.901 ( -5.303 -1.635 4.127) 6.916 5.054 ( 4.195 -2.098 5.736) 7.409 5.222 ( -3.164 -1.543 6.670) 7.541 5.371 ( 4.400 1.481 -5.484) 7.185 5.609 ( 4.899 -0.669 -6.689) 8.318 5.745 ( -4.874 6.070 0.329) 7.792 5.811 ( 3.297 1.582 -1.928) 4.134 5.974 ( 1.851 -1.258 0.977) 2.442 6.035 ( 1.295 -0.382 -0.102) 1.354 6.066 ( 6.208 -0.495 0.470) 6.245 6.185 ( 3.307 1.581 -2.596) 4.491 6.224 ( -5.186 -1.344 0.020) 5.357 6.434 ( -3.703 -6.218 -1.986) 7.505 6.603 ( 2.747 -1.298 0.435) 3.069 6.682 ( -2.357 -1.956 -1.845) 3.576 6.752 ( -1.864 -4.398 2.729) 5.501 6.903 ( -2.498 -5.248 3.637) 6.857 7.020 ( -0.525 2.447 -4.773) 5.389 7.069 ( -1.146 0.722 -0.957) 1.659 7.299 ( 0.548 7.983 0.262) 8.006 7.488 ( 0.286 3.068 6.604) 7.288 7.803 ( 1.783 -0.570 -2.617) 3.218 7.968 ( 2.530 0.438 2.383) 3.503 8.131 ( -1.047 -6.363 4.020) 7.599 8.264 ( -9.078 -6.126 -3.512) 11.501 8.549 ( -5.021 2.410 -0.087) 5.570 8.727 ( -6.802 -4.033 -2.031) 8.165 10.478 ( 9.697 1.042 0.278) 9.757 10.504 ( 7.941 -0.255 1.330) 8.055 11.179 ( -14.192 0.388 -0.439) 14.204 11.271 ( -16.318 -1.888 1.484) 16.494 11.851 ( -0.748 7.218 8.812) 11.415 12.242 ( 11.327 -1.065 -9.786) 15.007 12.720 ( -1.245 3.686 -0.644) 3.944 12.852 ( -5.126 0.272 -4.655) 6.929 14.742 ( -0.209 0.649 5.708) 5.748 14.876 ( 3.290 -1.932 1.627) 4.148 15.386 ( 0.312 3.158 -8.526) 9.098 15.498 ( -0.261 -0.251 -6.022) 6.033 16.026 ( 1.696 2.394 0.774) 3.034 16.178 ( 7.324 -1.309 5.312) 9.142 16.293 ( 1.597 3.111 4.081) 5.375 16.640 ( 2.063 -6.317 0.349) 6.655 ======================= Grid point 87 (45/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 3.905 5.328 8.339) 10.638 1.110 ( 4.572 0.145 3.967) 6.055 1.269 ( -2.957 10.728 -0.579) 11.144 1.434 ( -2.551 -1.095 -2.800) 3.943 1.465 ( -0.969 4.753 -1.163) 4.989 1.570 ( -1.287 -0.565 -6.544) 6.693 1.776 ( 2.342 4.829 -3.385) 6.346 1.875 ( 1.377 -5.239 -2.326) 5.896 2.020 ( -2.764 8.703 -1.513) 9.256 2.099 ( -2.545 -3.194 -3.991) 5.710 2.169 ( 2.924 5.160 5.534) 8.112 2.218 ( -5.799 1.491 2.318) 6.420 2.354 ( 5.663 -0.836 2.898) 6.416 2.400 ( 3.483 -5.209 1.402) 6.421 2.791 ( -0.492 0.151 3.216) 3.257 2.814 ( -3.128 -1.200 3.861) 5.112 2.898 ( -1.127 3.246 1.172) 3.630 2.939 ( -0.577 0.675 -0.606) 1.075 2.988 ( 1.459 -0.073 1.592) 2.161 3.032 ( -0.260 -3.055 1.730) 3.520 3.044 ( 1.918 2.403 2.267) 3.820 3.119 ( 4.587 -1.248 1.725) 5.057 3.240 ( -0.738 2.367 -5.076) 5.650 3.310 ( -0.024 -2.611 -1.915) 3.238 3.428 ( -1.392 0.622 0.207) 1.538 3.459 ( -1.091 -2.238 0.090) 2.492 3.533 ( 1.899 3.832 -0.527) 4.309 3.541 ( -0.529 4.738 -0.207) 4.772 3.718 ( 0.336 1.352 -1.023) 1.728 3.790 ( -0.304 -3.734 -0.867) 3.846 3.828 ( -2.215 3.709 -2.593) 5.039 3.938 ( -1.739 -5.214 -2.900) 6.215 4.112 ( 0.176 2.189 -2.055) 3.008 4.165 ( 1.185 -2.497 -1.345) 3.074 4.317 ( 2.913 4.507 0.674) 5.409 4.406 ( 1.326 -3.192 -0.719) 3.530 4.454 ( -1.277 1.228 -2.132) 2.772 4.516 ( 1.595 -3.016 -1.077) 3.578 4.616 ( -4.000 4.346 3.761) 7.002 4.710 ( -3.468 -3.016 4.934) 6.743 4.762 ( 2.912 4.781 -0.563) 5.627 4.853 ( 0.695 -2.078 -0.120) 2.195 5.076 ( 0.322 -0.764 8.433) 8.473 5.119 ( -2.512 -3.701 8.820) 9.889 5.506 ( 2.121 4.194 -7.138) 8.546 5.599 ( -1.469 -2.898 -9.444) 9.988 5.774 ( -0.216 2.028 1.093) 2.314 5.823 ( -2.590 -1.420 0.997) 3.118 6.051 ( 3.945 3.340 -0.850) 5.238 6.085 ( -0.267 2.324 0.485) 2.388 6.118 ( 4.115 -1.092 -1.189) 4.420 6.161 ( 1.399 -3.619 -2.277) 4.499 6.228 ( -4.369 -1.630 1.618) 4.936 6.234 ( -0.588 -1.192 0.638) 1.474 6.634 ( -1.039 1.301 1.259) 2.087 6.648 ( 0.303 0.168 0.378) 0.513 6.688 ( 2.937 -2.156 2.261) 4.289 6.730 ( -1.914 -4.555 1.095) 5.060 7.024 ( -1.534 1.270 -4.685) 5.090 7.039 ( -2.109 -0.113 -4.472) 4.946 7.480 ( 3.021 6.009 4.272) 7.968 7.545 ( 1.401 1.459 5.377) 5.744 7.783 ( -1.632 1.290 -3.823) 4.352 7.883 ( -5.339 -5.641 -4.804) 9.132 8.107 ( 5.179 -0.695 5.217) 7.384 8.143 ( 2.793 -3.951 3.547) 5.999 8.546 ( -1.185 2.726 -1.751) 3.450 8.581 ( -1.421 -1.157 -3.043) 3.552 10.638 ( 0.199 0.539 2.072) 2.151 10.643 ( 1.221 0.140 1.608) 2.024 10.993 ( -0.071 -0.539 -0.778) 0.949 10.999 ( -2.346 -1.109 -0.846) 2.729 12.077 ( -0.400 10.906 4.014) 11.628 12.277 ( 1.573 -8.283 -2.999) 8.949 12.760 ( 0.665 1.398 -1.290) 2.015 12.772 ( -0.239 0.248 -1.736) 1.770 14.797 ( -0.449 3.575 4.455) 5.730 14.868 ( 0.479 -3.107 2.631) 4.099 15.418 ( -1.082 2.075 -7.818) 8.160 15.448 ( -1.877 -0.816 -7.610) 7.880 16.142 ( 2.027 3.831 3.786) 5.755 16.216 ( 1.604 -2.694 2.363) 3.926 16.385 ( 0.201 2.857 2.938) 4.103 16.491 ( -1.413 -6.573 -0.557) 6.746 ======================= Grid point 88 (46/72) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -3.152 12.964 3.032) 13.682 1.196 ( 3.516 1.559 6.575) 7.617 1.229 ( 2.187 1.076 2.235) 3.307 1.340 ( -5.210 -6.446 -6.141) 10.315 1.447 ( -0.448 7.433 0.964) 7.509 1.539 ( -0.270 1.401 -6.307) 6.466 1.834 ( 2.260 1.651 2.066) 3.479 1.881 ( -0.408 -1.020 -5.386) 5.497 1.957 ( -2.827 4.008 0.051) 4.905 2.049 ( -3.256 -5.045 -6.612) 8.932 2.085 ( -3.123 2.587 0.170) 4.059 2.173 ( -1.157 -4.301 1.372) 4.660 2.487 ( 4.670 3.889 3.532) 7.029 2.525 ( 2.901 0.567 3.897) 4.891 2.741 ( -1.066 1.043 2.165) 2.629 2.754 ( -1.485 -0.584 0.493) 1.670 2.900 ( 0.120 3.156 1.268) 3.404 2.946 ( 0.279 -0.632 -0.078) 0.695 2.993 ( -1.626 2.626 3.799) 4.896 3.056 ( 0.573 -3.308 1.574) 3.708 3.104 ( 4.102 7.366 0.851) 8.474 3.222 ( 1.031 -1.811 -2.512) 3.264 3.242 ( 3.502 3.523 0.236) 4.973 3.355 ( 5.283 -5.155 -1.303) 7.495 3.384 ( -1.839 0.497 -0.202) 1.916 3.417 ( -3.288 -1.198 1.890) 3.978 3.536 ( 1.495 5.903 -2.895) 6.743 3.580 ( 2.003 1.363 0.521) 2.478 3.723 ( -1.503 1.125 -2.582) 3.192 3.783 ( 0.602 -3.133 1.633) 3.584 3.788 ( -1.008 1.304 -0.131) 1.653 3.880 ( -3.125 -5.501 -0.920) 6.393 4.098 ( -1.261 2.930 -0.989) 3.340 4.163 ( -0.928 -2.591 -2.706) 3.860 4.311 ( -4.578 2.002 0.263) 5.003 4.328 ( -6.353 1.829 -3.008) 7.263 4.414 ( -2.248 2.040 -1.554) 3.410 4.501 ( -3.990 -3.674 -2.488) 5.967 4.578 ( 0.551 1.617 1.913) 2.565 4.623 ( -3.740 -2.039 3.007) 5.214 4.814 ( 0.412 1.883 2.053) 2.816 4.858 ( -0.046 -1.501 1.836) 2.372 5.076 ( -2.837 -1.924 6.693) 7.520 5.090 ( -2.107 -3.247 8.602) 9.433 5.474 ( -2.054 2.698 -5.762) 6.685 5.512 ( -3.056 0.074 -5.195) 6.028 5.810 ( 1.033 -0.174 -0.614) 1.214 5.822 ( 1.767 -1.339 -2.129) 3.074 6.048 ( -3.286 2.986 0.988) 4.549 6.076 ( -2.513 0.740 -1.986) 3.287 6.117 ( -0.613 2.217 1.621) 2.814 6.148 ( -4.408 -1.892 2.737) 5.523 6.208 ( 2.229 -1.614 -3.840) 4.725 6.267 ( 3.230 -5.262 -0.771) 6.222 6.576 ( -3.275 0.649 -0.733) 3.419 6.586 ( -4.847 0.019 0.097) 4.848 6.781 ( 5.262 0.662 3.091) 6.139 6.821 ( 8.473 -2.564 1.532) 8.983 6.994 ( -1.276 -0.056 -2.846) 3.119 7.001 ( -0.258 -0.265 -2.321) 2.351 7.547 ( 1.100 7.958 2.589) 8.441 7.593 ( 3.986 5.451 3.290) 7.512 7.789 ( 1.113 -2.447 -1.444) 3.051 7.858 ( 4.457 -6.737 -0.609) 8.101 8.122 ( -2.995 0.567 0.559) 3.099 8.200 ( -0.236 -7.038 -0.098) 7.042 8.574 ( 4.697 3.502 -0.999) 5.944 8.626 ( 6.464 -1.626 -1.345) 6.799 10.504 ( -9.422 0.899 0.686) 9.490 10.520 ( -9.506 -0.562 1.018) 9.577 11.159 ( 13.892 0.314 0.087) 13.896 11.188 ( 14.757 -2.670 0.294) 15.000 12.029 ( -4.492 10.324 3.088) 11.675 12.218 ( -5.848 -7.871 -1.867) 9.981 12.806 ( 3.672 1.819 -0.745) 4.165 12.822 ( 4.782 0.213 -2.772) 5.531 14.779 ( -2.154 4.110 4.104) 6.194 14.858 ( -2.033 -3.330 2.846) 4.829 15.376 ( -1.664 1.375 -5.901) 6.284 15.388 ( -2.343 0.089 -6.736) 7.133 16.153 ( -1.473 3.330 2.872) 4.638 16.213 ( -1.587 -1.439 0.500) 2.200 16.382 ( -1.385 1.450 3.239) 3.809 16.467 ( -1.161 -5.618 -0.295) 5.744 ======================= Grid point 89 (47/72) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.954 10.778 -0.935) 10.861 1.241 ( -2.136 -6.309 -7.585) 10.095 1.279 ( 2.933 1.297 4.048) 5.164 1.301 ( 2.900 -0.557 2.136) 3.645 1.455 ( 0.943 5.340 2.489) 5.966 1.532 ( 0.546 -0.091 -4.190) 4.226 1.842 ( -1.040 1.711 3.356) 3.907 1.857 ( -0.001 4.680 -6.414) 7.940 1.918 ( -1.325 -2.664 0.509) 3.018 2.005 ( 1.235 -6.959 -6.345) 9.498 2.078 ( 1.028 3.353 -1.333) 3.752 2.165 ( 0.240 -4.588 -1.031) 4.708 2.495 ( -3.376 2.796 2.456) 5.024 2.509 ( -2.449 1.276 1.010) 2.940 2.742 ( -1.038 3.765 -1.691) 4.256 2.779 ( 1.205 0.530 -0.529) 1.419 2.914 ( 1.134 3.018 2.920) 4.350 2.937 ( -1.901 0.871 1.938) 2.850 2.948 ( -3.062 3.690 2.371) 5.349 3.028 ( -2.023 -3.167 3.733) 5.297 3.179 ( 0.119 7.719 0.074) 7.720 3.232 ( -1.054 0.965 0.173) 1.440 3.283 ( 3.070 1.740 0.165) 3.532 3.335 ( -1.039 4.070 0.538) 4.235 3.368 ( -0.885 -2.241 1.617) 2.901 3.475 ( 3.391 -5.173 -1.085) 6.280 3.576 ( 0.097 1.991 -0.438) 2.041 3.608 ( 0.271 -0.513 -1.783) 1.875 3.674 ( 1.105 6.891 1.923) 7.239 3.785 ( -0.193 -1.592 1.279) 2.051 3.809 ( 0.477 -3.667 -0.152) 3.701 3.832 ( -1.209 -3.199 4.493) 5.647 4.053 ( -3.544 4.074 -0.114) 5.401 4.125 ( -1.635 -1.983 -3.919) 4.687 4.173 ( -5.433 3.958 -2.286) 7.100 4.243 ( -3.525 -1.144 -2.481) 4.460 4.362 ( -1.434 -1.664 -3.091) 3.792 4.419 ( -2.966 -5.148 -1.936) 6.249 4.555 ( -1.708 3.830 0.692) 4.250 4.598 ( -1.739 -0.050 1.048) 2.031 4.790 ( -3.243 -0.799 3.157) 4.595 4.835 ( -3.283 -4.179 1.769) 5.601 5.048 ( 0.024 -0.505 6.289) 6.309 5.074 ( 0.492 -2.727 2.639) 3.827 5.441 ( -0.756 2.269 -3.672) 4.383 5.472 ( -1.159 -0.457 -2.280) 2.598 5.795 ( -2.578 1.315 1.125) 3.104 5.822 ( -1.495 -1.232 -1.253) 2.307 5.979 ( -3.580 1.426 0.451) 3.880 6.001 ( -3.574 -1.273 0.877) 3.894 6.069 ( -2.957 1.982 0.596) 3.610 6.124 ( 0.239 -2.017 -1.980) 2.836 6.232 ( 0.870 0.173 -2.842) 2.977 6.307 ( 0.483 -5.370 0.770) 5.446 6.513 ( -2.076 0.610 0.258) 2.179 6.543 ( 0.579 -1.811 -2.477) 3.122 6.866 ( 2.238 4.263 0.239) 4.821 6.946 ( -0.178 -3.324 -2.023) 3.895 6.997 ( 4.288 2.276 1.345) 5.038 7.046 ( 5.759 -2.101 3.449) 7.034 7.578 ( 2.952 8.814 0.027) 9.295 7.677 ( 3.084 3.852 2.799) 5.672 7.815 ( 1.565 0.099 -2.260) 2.751 7.964 ( 2.987 -9.727 2.012) 10.372 8.034 ( -4.021 3.462 -1.800) 5.603 8.144 ( -3.708 -7.329 -2.571) 8.607 8.705 ( 7.984 3.859 0.025) 8.868 8.786 ( 8.613 -3.927 -0.022) 9.466 10.341 ( -6.883 0.785 0.101) 6.928 10.362 ( -6.294 -1.325 0.387) 6.444 11.430 ( 12.158 0.740 0.421) 12.188 11.469 ( 12.298 -3.306 1.153) 12.787 11.952 ( -2.750 8.113 1.996) 8.796 12.097 ( -5.050 -5.804 -0.602) 7.717 12.875 ( 3.002 2.889 -0.778) 4.239 12.909 ( 4.152 -0.597 -3.471) 5.445 14.736 ( -2.725 3.643 3.198) 5.561 14.805 ( -3.576 -2.953 2.661) 5.347 15.333 ( -1.432 1.463 -3.311) 3.892 15.347 ( -0.817 -0.158 -3.854) 3.943 16.117 ( -2.132 2.506 -0.065) 3.291 16.169 ( -2.611 -2.105 -0.417) 3.380 16.355 ( -1.741 2.446 2.158) 3.698 16.426 ( -3.080 -3.928 1.014) 5.093 ======================= Grid point 90 (48/72) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 3.072 5.510 -4.147) 7.549 1.201 ( -1.565 -2.413 -8.244) 8.731 1.314 ( 1.551 1.559 -3.932) 4.505 1.348 ( 1.419 -1.313 -3.067) 3.625 1.492 ( 2.057 1.931 3.387) 4.408 1.546 ( 1.354 -2.482 -0.578) 2.886 1.840 ( 0.191 3.190 0.932) 3.329 1.884 ( 3.381 4.699 1.275) 5.928 1.906 ( 0.236 -0.557 -1.865) 1.961 2.024 ( 0.873 -5.737 -4.052) 7.078 2.127 ( 4.370 2.580 -0.613) 5.112 2.184 ( 2.327 -2.389 -1.139) 3.524 2.414 ( -5.155 3.678 -0.021) 6.332 2.442 ( -4.340 1.092 -1.322) 4.666 2.705 ( -1.579 3.355 -1.365) 3.952 2.750 ( -2.363 -1.285 -0.792) 2.804 2.867 ( -3.000 3.114 1.580) 4.603 2.919 ( -1.203 0.447 0.444) 1.358 2.959 ( 0.891 2.519 4.701) 5.407 3.013 ( -1.306 -2.513 3.703) 4.662 3.095 ( -5.541 4.814 2.914) 7.898 3.171 ( -3.606 -2.052 3.350) 5.332 3.341 ( 1.628 1.725 0.019) 2.372 3.357 ( -0.591 2.195 3.831) 4.455 3.401 ( 4.812 4.685 -1.960) 6.996 3.509 ( 1.559 -3.017 -0.066) 3.397 3.544 ( -1.833 1.938 -0.115) 2.670 3.571 ( -2.082 1.427 -3.071) 3.976 3.721 ( -1.535 0.798 1.646) 2.388 3.747 ( -2.347 -0.722 1.598) 2.929 3.820 ( 2.711 0.431 3.725) 4.628 3.877 ( 1.917 -3.486 3.885) 5.560 3.988 ( -1.933 6.338 -0.716) 6.665 4.100 ( -0.835 2.869 -4.319) 5.252 4.122 ( 1.284 -3.360 -3.070) 4.729 4.162 ( -3.424 -4.084 -2.438) 5.860 4.372 ( 1.472 -1.152 -0.822) 2.042 4.380 ( -2.370 -1.618 1.126) 3.082 4.518 ( -1.577 3.054 1.070) 3.600 4.564 ( -0.311 -1.256 -1.112) 1.706 4.719 ( -3.612 -1.060 -0.369) 3.783 4.752 ( -4.451 -3.936 0.097) 5.943 5.104 ( 3.967 0.228 2.199) 4.541 5.130 ( 4.592 -2.140 -0.096) 5.067 5.412 ( -2.171 1.571 -0.429) 2.714 5.429 ( -3.122 -0.231 -0.171) 3.136 5.744 ( -2.231 0.657 1.445) 2.738 5.769 ( -3.269 -1.391 0.867) 3.657 5.914 ( -2.411 1.683 1.657) 3.375 5.970 ( -0.156 -3.678 -0.850) 3.778 6.035 ( -0.652 3.358 -1.144) 3.607 6.116 ( -0.267 -2.892 -2.029) 3.543 6.225 ( -1.505 -0.585 0.213) 1.629 6.290 ( -2.167 -5.001 2.591) 6.035 6.506 ( 1.389 2.829 -0.902) 3.278 6.589 ( 4.234 -4.411 -3.582) 7.086 6.881 ( 0.022 2.356 -0.703) 2.459 6.918 ( -1.422 -1.578 -0.475) 2.177 7.068 ( 2.008 5.718 2.896) 6.716 7.167 ( 4.464 -2.856 0.139) 5.301 7.655 ( 3.368 5.553 1.550) 6.677 7.726 ( 1.312 5.951 2.163) 6.467 7.817 ( -0.280 -1.321 -5.944) 6.095 7.896 ( -4.429 -0.186 -0.158) 4.436 8.042 ( 0.721 -3.583 0.924) 3.770 8.089 ( -1.123 -6.929 -1.559) 7.191 8.857 ( 6.672 2.723 0.777) 7.248 8.926 ( 5.032 -3.799 0.332) 6.314 10.242 ( -3.221 0.710 -0.001) 3.299 10.271 ( -3.209 -2.258 -0.100) 3.925 11.600 ( 5.084 1.084 0.194) 5.202 11.628 ( 3.325 -1.422 1.460) 3.900 11.959 ( 2.735 3.985 1.351) 5.018 12.043 ( -0.717 -3.869 0.548) 3.973 12.913 ( 1.107 3.689 -1.183) 4.029 12.962 ( 2.027 -1.152 -3.755) 4.420 14.695 ( -1.780 2.344 2.509) 3.867 14.741 ( -3.102 -2.087 2.250) 4.364 15.317 ( 0.273 1.742 -0.637) 1.875 15.340 ( 0.663 -0.713 -1.401) 1.706 16.075 ( -1.924 1.953 -2.391) 3.638 16.117 ( -2.372 -1.955 -2.387) 3.892 16.331 ( -0.813 1.415 2.028) 2.603 16.364 ( -3.064 -1.570 1.932) 3.947 ======================= Grid point 91 (49/72) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -4.888 2.911 -9.419) 11.004 1.123 ( -2.527 1.165 -7.988) 8.459 1.314 ( -1.800 1.581 -3.633) 4.352 1.375 ( 2.401 -2.885 -3.838) 5.368 1.533 ( 0.991 0.990 0.940) 1.687 1.571 ( 1.245 -2.673 -0.294) 2.963 1.848 ( 0.237 4.700 1.193) 4.855 1.898 ( -0.890 0.211 2.828) 2.972 1.981 ( 4.806 2.195 1.218) 5.422 2.026 ( 0.687 -2.745 -4.237) 5.095 2.201 ( 0.693 4.662 -4.056) 6.218 2.252 ( 3.195 0.328 -2.984) 4.384 2.322 ( -1.981 1.814 2.635) 3.763 2.348 ( -3.266 0.133 0.136) 3.271 2.700 ( 1.288 1.772 1.368) 2.583 2.738 ( 0.940 -1.694 1.703) 2.579 2.816 ( -1.968 2.873 -1.373) 3.743 2.895 ( -1.270 -2.448 -2.657) 3.830 2.944 ( -1.859 1.748 0.811) 2.677 2.965 ( -1.252 0.484 0.895) 1.613 3.077 ( 1.529 3.813 8.853) 9.760 3.171 ( 1.640 -4.293 8.561) 9.716 3.328 ( -2.257 5.744 0.028) 6.172 3.373 ( 0.759 2.000 2.088) 2.989 3.435 ( -0.713 3.131 0.017) 3.211 3.511 ( -2.021 -3.272 -2.417) 4.543 3.521 ( -0.093 2.628 -2.661) 3.741 3.563 ( 2.037 -0.391 -2.666) 3.378 3.696 ( 0.898 1.237 3.262) 3.603 3.755 ( 2.463 -3.576 2.918) 5.232 3.859 ( -1.541 1.118 2.965) 3.523 3.876 ( -0.810 -0.371 2.763) 2.903 3.975 ( 0.152 6.602 -0.755) 6.646 4.079 ( -0.234 0.413 -4.378) 4.403 4.126 ( 0.240 0.378 -2.328) 2.371 4.167 ( 1.338 -4.676 -3.885) 6.225 4.319 ( -1.979 -0.844 2.455) 3.265 4.354 ( -2.980 -3.242 2.729) 5.181 4.536 ( 2.295 2.878 2.161) 4.269 4.605 ( 3.839 -1.085 -0.217) 3.996 4.656 ( -1.999 -0.942 -2.445) 3.295 4.688 ( -1.680 -3.108 -3.411) 4.911 5.190 ( 4.358 1.848 -1.985) 5.133 5.227 ( 4.685 -0.851 -2.023) 5.174 5.338 ( -4.723 0.482 2.079) 5.182 5.371 ( -3.156 -1.390 2.571) 4.301 5.711 ( -1.484 0.022 1.386) 2.031 5.735 ( 0.352 -2.270 1.525) 2.757 5.896 ( -0.266 3.468 2.204) 4.118 5.968 ( 0.054 -3.119 -2.125) 3.775 6.035 ( 0.868 3.095 -1.911) 3.739 6.123 ( 1.228 -4.570 -1.282) 4.902 6.187 ( -1.743 -1.063 1.630) 2.613 6.251 ( -1.755 -5.522 3.310) 6.673 6.550 ( 2.834 5.086 -2.508) 6.340 6.672 ( 4.219 -5.576 -2.569) 7.450 6.880 ( 0.125 1.066 0.400) 1.145 6.900 ( -0.116 -1.098 0.225) 1.127 7.080 ( -1.044 6.330 -0.047) 6.415 7.196 ( -1.622 -4.057 -0.683) 4.423 7.652 ( -3.695 6.428 0.785) 7.456 7.700 ( -5.154 4.309 3.102) 7.400 7.794 ( 1.566 4.727 -3.992) 6.382 7.935 ( 6.497 -5.853 -1.147) 8.820 8.050 ( 0.412 -2.880 0.495) 2.951 8.067 ( -1.399 -5.411 -1.312) 5.741 8.939 ( 0.545 1.063 1.483) 1.904 8.975 ( 0.286 -2.272 0.114) 2.292 10.213 ( 0.094 0.032 0.235) 0.255 10.233 ( -0.543 -2.083 -0.546) 2.220 11.648 ( -0.282 1.512 0.743) 1.708 11.663 ( 2.097 -0.067 0.618) 2.187 12.000 ( -0.365 0.864 1.374) 1.663 12.029 ( -1.770 -2.346 0.982) 3.099 12.917 ( -0.289 4.244 -1.505) 4.512 12.979 ( 0.521 -1.700 -3.722) 4.124 14.683 ( 0.137 0.888 2.261) 2.433 14.703 ( -1.132 -1.047 2.015) 2.537 15.339 ( 1.905 1.906 0.583) 2.757 15.366 ( 2.140 -0.959 -0.285) 2.362 16.032 ( -1.728 1.688 -2.847) 3.733 16.067 ( -2.056 -1.493 -3.652) 4.449 16.329 ( -0.744 0.686 2.204) 2.425 16.342 ( 1.610 -0.570 1.793) 2.476 ======================= Grid point 92 (50/72) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.990 5.426 -5.870) 9.424 1.055 ( -2.862 -2.600 -6.770) 7.796 1.259 ( -2.625 5.256 0.005) 5.875 1.388 ( -0.440 -5.764 -1.027) 5.871 1.532 ( -0.614 4.340 -1.793) 4.735 1.586 ( 0.327 -1.382 -2.032) 2.479 1.854 ( 0.658 1.685 -1.755) 2.520 1.881 ( -1.362 1.491 2.574) 3.272 2.002 ( -1.125 -0.119 -3.505) 3.683 2.054 ( -0.958 -1.645 -4.194) 4.606 2.153 ( -0.341 3.496 2.298) 4.197 2.214 ( -2.913 -1.656 -2.138) 3.974 2.356 ( 2.548 2.772 1.512) 4.057 2.389 ( 3.552 0.716 -0.637) 3.679 2.722 ( -0.598 1.496 -1.697) 2.340 2.738 ( 0.135 0.923 0.954) 1.335 2.861 ( 4.817 1.048 3.357) 5.964 2.897 ( 4.321 -1.487 -1.785) 4.906 2.949 ( -0.115 2.053 1.048) 2.307 2.966 ( 1.366 0.107 0.937) 1.660 3.143 ( 2.061 4.045 8.445) 9.588 3.216 ( 0.539 -2.376 7.097) 7.504 3.265 ( -2.840 6.996 0.159) 7.552 3.372 ( -1.925 -1.627 -0.588) 2.588 3.423 ( 0.478 2.414 -2.230) 3.321 3.464 ( -1.693 -0.104 -2.658) 3.153 3.549 ( 2.962 2.135 -0.315) 3.664 3.604 ( 3.389 -2.674 -1.233) 4.489 3.737 ( 0.372 0.555 1.299) 1.461 3.746 ( -4.618 0.252 3.903) 6.051 3.872 ( 0.678 -0.361 3.666) 3.746 3.881 ( 2.700 -1.424 2.737) 4.100 3.973 ( 0.650 6.853 -0.900) 6.942 4.090 ( 1.726 1.441 -1.262) 2.578 4.113 ( -0.313 -2.157 -2.704) 3.474 4.143 ( -1.390 -1.907 -1.250) 2.671 4.337 ( 2.291 -2.901 -3.005) 4.764 4.350 ( 3.073 -3.133 -3.733) 5.761 4.555 ( -0.543 4.775 1.541) 5.047 4.646 ( 2.056 0.593 -1.087) 2.400 4.658 ( -0.075 -2.852 -1.403) 3.179 4.709 ( 4.367 -4.878 3.896) 7.619 5.199 ( -4.597 5.721 3.593) 8.172 5.276 ( 0.066 0.315 1.399) 1.436 5.314 ( 0.431 -1.632 -0.360) 1.726 5.333 ( 2.906 -5.150 -3.873) 7.069 5.719 ( 2.147 2.112 1.063) 3.194 5.781 ( 3.923 -3.539 0.806) 5.344 5.897 ( -0.152 3.686 2.730) 4.589 5.964 ( -0.186 -2.541 -1.393) 2.904 6.060 ( 2.025 3.667 -2.416) 4.836 6.128 ( -0.580 -1.641 0.976) 1.996 6.193 ( 2.054 -2.678 -0.947) 3.505 6.256 ( 1.613 -6.356 1.263) 6.678 6.582 ( 0.668 5.571 -2.901) 6.317 6.715 ( -0.010 -6.123 -0.479) 6.142 6.888 ( 0.144 1.843 -0.936) 2.072 6.924 ( 1.957 -1.697 0.060) 2.591 7.038 ( -2.434 3.725 0.348) 4.464 7.120 ( -5.051 -3.674 2.276) 6.648 7.569 ( -4.103 5.246 -0.107) 6.661 7.588 ( -5.580 4.312 0.595) 7.077 7.842 ( 2.665 8.158 -1.667) 8.743 8.002 ( -1.514 -5.992 -1.896) 6.465 8.043 ( 0.226 -1.964 1.085) 2.256 8.098 ( 4.765 -7.325 -1.093) 8.807 8.877 ( -6.160 2.370 0.754) 6.643 8.940 ( -4.397 -3.576 0.303) 5.676 10.240 ( 2.759 0.016 -0.011) 2.759 10.256 ( 3.021 -1.490 -0.080) 3.369 11.625 ( -3.205 2.853 0.093) 4.292 11.676 ( -2.700 -2.192 1.785) 3.909 11.954 ( -2.722 1.354 1.427) 3.358 11.978 ( -2.286 -1.883 0.208) 2.969 12.897 ( -1.470 4.531 -1.574) 5.017 12.967 ( -1.095 -2.188 -3.301) 4.109 14.706 ( 0.915 0.043 2.262) 2.440 14.710 ( 2.118 -0.341 2.181) 3.060 15.387 ( 2.723 1.998 -0.719) 3.454 15.417 ( 2.920 -1.047 -0.925) 3.237 16.006 ( -0.205 1.345 -1.008) 1.693 16.030 ( -0.770 -0.819 -2.946) 3.153 16.340 ( 1.149 2.721 1.765) 3.440 16.397 ( 3.423 -2.746 1.263) 4.567 ======================= Grid point 93 (51/72) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.359 5.604 0.451) 5.633 1.002 ( -1.027 -3.123 -2.941) 4.411 1.236 ( 0.160 8.985 3.278) 9.566 1.390 ( 1.592 -4.618 -0.405) 4.901 1.511 ( -1.026 6.661 -1.915) 7.007 1.585 ( 0.471 -0.381 -3.820) 3.868 1.841 ( -1.771 2.420 -2.160) 3.696 1.883 ( 0.655 -1.471 -0.801) 1.798 1.964 ( -0.609 1.108 -3.546) 3.765 2.007 ( 0.147 -2.094 -3.711) 4.264 2.171 ( -1.511 -1.002 -1.729) 2.505 2.182 ( 0.562 -1.503 2.405) 2.892 2.402 ( 1.323 2.004 2.284) 3.314 2.435 ( 1.346 -0.378 1.151) 1.811 2.729 ( 1.018 1.604 -1.308) 2.307 2.736 ( 0.578 0.521 -0.069) 0.781 2.934 ( -0.697 3.497 1.646) 3.928 2.952 ( 2.289 2.833 5.094) 6.263 2.984 ( 1.131 1.076 1.577) 2.219 3.013 ( 3.931 0.738 0.276) 4.009 3.104 ( -4.900 6.750 -0.947) 8.395 3.219 ( -2.588 -3.187 1.195) 4.276 3.276 ( 1.766 1.590 3.767) 4.454 3.308 ( -2.653 -1.708 0.903) 3.282 3.422 ( -1.055 3.512 -0.893) 3.774 3.454 ( 1.699 0.726 -2.895) 3.434 3.590 ( -0.467 1.530 1.152) 1.972 3.624 ( -5.593 -1.211 1.552) 5.930 3.715 ( 4.651 -1.024 0.286) 4.771 3.733 ( 0.796 -3.156 1.033) 3.415 3.869 ( -0.650 2.674 0.825) 2.873 3.925 ( 1.322 -2.526 0.981) 3.015 4.043 ( 4.620 5.454 -0.235) 7.151 4.078 ( 0.695 2.400 -2.153) 3.298 4.147 ( 2.684 0.119 -0.217) 2.695 4.205 ( 6.233 -4.004 -0.050) 7.409 4.365 ( 2.414 0.671 -7.022) 7.456 4.417 ( 4.037 -3.294 -6.403) 8.255 4.576 ( 2.015 1.483 2.157) 3.303 4.642 ( 1.006 -3.372 -0.812) 3.612 4.724 ( 3.156 1.424 4.142) 5.399 4.792 ( 2.902 -5.087 5.818) 8.255 5.117 ( -4.006 5.659 6.509) 9.510 5.225 ( -4.223 -4.055 7.308) 9.363 5.354 ( 3.466 1.838 -6.307) 7.428 5.418 ( 5.977 -4.322 -6.020) 9.521 5.786 ( 4.046 3.605 -0.485) 5.441 5.869 ( 3.907 -3.667 0.831) 5.422 5.914 ( 1.208 2.604 0.232) 2.880 5.957 ( 0.357 -1.543 0.377) 1.628 6.084 ( 0.341 4.690 0.165) 4.705 6.145 ( 2.512 -0.243 -1.218) 2.803 6.225 ( 0.620 -1.885 -1.308) 2.376 6.294 ( 1.648 -6.703 -0.666) 6.935 6.575 ( -0.132 3.938 -2.546) 4.691 6.681 ( -2.630 -5.528 -0.104) 6.123 6.831 ( -5.664 2.625 -0.360) 6.253 6.897 ( -4.918 -3.650 0.387) 6.137 7.045 ( 2.086 1.754 1.197) 2.977 7.074 ( 0.101 -1.092 2.454) 2.688 7.490 ( -3.352 5.367 -1.483) 6.499 7.519 ( -1.673 1.883 2.497) 3.547 7.870 ( 0.390 7.006 -0.453) 7.031 7.955 ( -1.891 -1.934 0.156) 2.709 8.052 ( 0.168 -1.383 0.070) 1.395 8.157 ( 0.457 -10.118 -2.747) 10.494 8.734 ( -7.631 3.460 0.014) 8.379 8.811 ( -7.967 -3.986 -0.103) 8.909 10.331 ( 6.543 0.612 0.054) 6.572 10.347 ( 6.217 -0.986 0.462) 6.312 11.470 ( -12.593 1.498 0.331) 12.686 11.516 ( -13.126 -2.831 1.314) 13.492 11.947 ( 2.194 4.633 3.369) 6.134 12.026 ( 6.646 -2.531 -2.120) 7.421 12.851 ( -2.905 4.097 -1.397) 5.212 12.918 ( -3.328 -2.357 -2.746) 4.916 14.740 ( 1.840 1.229 2.953) 3.690 14.769 ( 3.136 -1.414 2.211) 4.089 15.431 ( 2.011 2.153 -4.298) 5.211 15.466 ( 2.238 -1.274 -3.381) 4.250 16.025 ( 1.738 0.981 0.724) 2.123 16.041 ( 2.873 -0.381 0.947) 3.049 16.368 ( 1.110 4.487 1.313) 4.805 16.466 ( 3.029 -4.928 0.871) 5.849 ======================= Grid point 94 (52/72) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 3.711 4.360 5.096) 7.665 1.021 ( 3.211 -1.091 1.014) 3.539 1.269 ( 1.760 12.111 3.098) 12.624 1.438 ( 2.399 -3.241 -1.458) 4.288 1.487 ( -1.167 7.236 -0.946) 7.391 1.588 ( 0.461 -0.988 -4.532) 4.662 1.789 ( -1.993 5.147 -6.686) 8.670 1.867 ( -0.632 -4.112 -2.503) 4.855 2.013 ( 4.581 6.588 1.039) 8.091 2.071 ( 4.220 -0.311 1.740) 4.576 2.152 ( 0.716 -2.940 -3.153) 4.370 2.169 ( -0.143 -3.862 -1.135) 4.028 2.386 ( -3.982 2.654 3.449) 5.899 2.432 ( -2.873 -1.311 4.487) 5.487 2.752 ( 2.201 1.435 1.695) 3.127 2.781 ( 3.390 -1.411 0.464) 3.701 2.921 ( -0.861 3.381 3.640) 5.042 2.967 ( -2.457 5.704 0.288) 6.217 2.986 ( 1.033 -2.165 3.989) 4.655 3.037 ( -2.098 1.996 -0.088) 2.897 3.046 ( -0.940 2.107 -1.115) 2.563 3.126 ( -4.180 -5.131 -1.105) 6.710 3.268 ( -1.145 1.937 -1.868) 2.925 3.314 ( 0.208 -0.782 2.457) 2.586 3.425 ( 1.218 2.890 0.068) 3.137 3.476 ( -0.060 -0.926 -0.083) 0.932 3.522 ( -2.662 2.580 0.113) 3.709 3.563 ( -1.507 0.155 0.279) 1.540 3.736 ( -1.102 0.664 -0.711) 1.470 3.784 ( 1.517 -3.255 -1.011) 3.730 3.861 ( -0.452 3.058 -2.261) 3.830 3.948 ( 0.945 -3.652 -1.601) 4.098 4.097 ( 2.048 2.324 -2.666) 4.087 4.125 ( 2.942 -0.453 -1.856) 3.508 4.236 ( 4.633 3.847 1.454) 6.195 4.313 ( 5.691 -3.251 1.703) 6.772 4.450 ( 6.044 0.213 -3.734) 7.107 4.461 ( 1.649 -1.016 -5.777) 6.093 4.615 ( 1.519 3.127 1.925) 3.974 4.696 ( 3.001 -3.231 2.852) 5.252 4.760 ( -0.602 1.421 4.572) 4.825 4.839 ( 0.868 -4.568 2.178) 5.134 5.072 ( -2.018 3.638 8.092) 9.099 5.161 ( -3.616 -4.220 8.208) 9.912 5.429 ( 5.507 4.303 -7.062) 9.935 5.537 ( 6.899 -5.402 -6.742) 11.056 5.849 ( 1.168 2.129 -0.947) 2.606 5.862 ( -4.758 2.921 -2.316) 6.044 5.952 ( 4.698 1.142 1.380) 5.028 6.018 ( 4.415 -2.999 -0.209) 5.341 6.090 ( 0.034 3.758 1.337) 3.989 6.171 ( -0.947 -2.873 0.859) 3.144 6.227 ( 1.194 1.605 -2.697) 3.358 6.297 ( -1.748 -5.848 -0.523) 6.126 6.591 ( 2.327 0.973 -0.859) 2.664 6.641 ( -0.652 -3.307 -0.958) 3.504 6.721 ( -4.789 2.220 2.651) 5.907 6.797 ( -4.618 -4.711 2.137) 6.934 7.060 ( -0.603 1.458 -3.314) 3.671 7.078 ( -0.631 -0.165 -2.056) 2.157 7.450 ( -0.559 5.733 1.259) 5.896 7.517 ( 0.284 -0.728 5.221) 5.279 7.847 ( -2.728 5.389 -2.983) 6.737 7.964 ( 1.944 -2.893 3.405) 4.873 8.036 ( -2.212 -0.939 -1.757) 2.977 8.115 ( -1.567 -7.299 -0.030) 7.465 8.608 ( -4.781 3.039 -0.816) 5.723 8.664 ( -6.142 -2.500 -1.301) 6.758 10.494 ( 9.602 0.498 0.596) 9.634 10.500 ( 8.986 -0.182 1.094) 9.054 11.187 ( -14.727 0.856 0.093) 14.752 11.221 ( -15.565 -2.403 0.315) 15.753 12.027 ( 3.992 8.702 3.920) 10.345 12.176 ( 7.979 -5.403 -2.782) 10.030 12.788 ( -2.799 2.765 -1.262) 4.132 12.833 ( -4.407 -1.667 -2.138) 5.173 14.780 ( 1.229 2.478 3.903) 4.784 14.831 ( 2.526 -2.399 2.335) 4.194 15.443 ( 0.316 2.330 -7.347) 7.714 15.481 ( 0.145 -1.380 -6.315) 6.465 16.078 ( 3.231 2.675 2.347) 4.807 16.134 ( 5.190 -2.651 3.945) 7.038 16.381 ( 0.003 5.306 1.280) 5.459 16.505 ( 0.503 -6.564 0.444) 6.598 ======================= Grid point 119 (53/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 10.489 0.000 -11.380) 15.476 0.712 ( -10.489 0.000 11.380) 15.476 0.875 ( 1.651 0.000 -13.527) 13.627 0.875 ( -1.651 0.000 13.527) 13.627 1.404 ( 1.557 0.000 -3.282) 3.632 1.404 ( -1.557 0.000 3.282) 3.632 1.488 ( 2.284 0.000 -24.526) 24.632 1.488 ( -2.284 0.000 24.526) 24.632 1.955 ( -3.487 0.000 0.794) 3.576 1.955 ( 3.487 0.000 -0.794) 3.576 2.276 ( -4.701 0.000 -1.568) 4.955 2.276 ( 4.701 0.000 1.568) 4.955 2.394 ( 0.166 0.000 -5.869) 5.871 2.394 ( -0.166 0.000 5.869) 5.871 2.751 ( 2.108 0.000 -2.626) 3.367 2.751 ( -2.108 0.000 2.626) 3.367 2.852 ( -1.336 0.000 -2.139) 2.522 2.852 ( 1.336 0.000 2.139) 2.522 2.989 ( -0.042 0.000 -6.229) 6.229 2.989 ( 0.042 0.000 6.229) 6.229 3.098 ( -4.207 0.000 -0.417) 4.228 3.098 ( 4.207 0.000 0.417) 4.228 3.233 ( -3.441 0.000 -0.417) 3.467 3.233 ( 3.441 0.000 0.417) 3.467 3.427 ( -4.184 0.000 -1.742) 4.532 3.427 ( 4.184 0.000 1.742) 4.532 3.631 ( 4.109 0.000 -4.802) 6.320 3.631 ( -4.109 0.000 4.802) 6.320 3.658 ( 4.853 0.000 -2.609) 5.510 3.658 ( -4.853 0.000 2.609) 5.510 3.948 ( -4.948 0.000 -0.107) 4.949 3.948 ( 4.948 0.000 0.107) 4.949 4.192 ( 6.138 0.000 -2.182) 6.514 4.192 ( -6.138 0.000 2.182) 6.514 4.225 ( -8.434 0.000 0.564) 8.453 4.225 ( 8.434 0.000 -0.564) 8.453 4.290 ( -11.251 0.000 -0.604) 11.267 4.290 ( 11.251 0.000 0.604) 11.267 4.635 ( -6.065 0.000 2.015) 6.391 4.635 ( 6.065 0.000 -2.015) 6.391 5.076 ( -1.169 0.000 0.132) 1.176 5.076 ( 1.169 0.000 -0.132) 1.176 5.195 ( -1.630 0.000 -0.130) 1.635 5.195 ( 1.630 0.000 0.130) 1.635 5.329 ( -0.794 0.000 -0.217) 0.823 5.329 ( 0.794 0.000 0.217) 0.823 5.726 ( -0.059 0.000 -2.049) 2.049 5.726 ( 0.059 0.000 2.049) 2.049 6.063 ( 2.237 0.000 -1.448) 2.664 6.063 ( -2.237 0.000 1.448) 2.664 6.119 ( -6.179 0.000 1.853) 6.451 6.119 ( 6.179 0.000 -1.853) 6.451 6.310 ( -9.273 0.000 -3.187) 9.805 6.310 ( 9.273 0.000 3.187) 9.805 6.747 ( -2.841 0.000 -3.253) 4.319 6.747 ( 2.841 0.000 3.253) 4.319 6.888 ( 1.906 0.000 -0.938) 2.124 6.888 ( -1.906 0.000 0.938) 2.124 7.063 ( -5.619 0.000 -1.325) 5.773 7.063 ( 5.619 0.000 1.325) 5.773 7.228 ( -6.308 0.000 -3.091) 7.024 7.228 ( 6.308 0.000 3.091) 7.024 7.922 ( -6.992 0.000 -1.088) 7.076 7.922 ( 6.992 0.000 1.088) 7.076 8.274 ( -9.990 0.000 -3.138) 10.471 8.274 ( 9.990 0.000 3.138) 10.471 8.739 ( -2.013 0.000 -2.170) 2.960 8.739 ( 2.013 0.000 2.170) 2.960 10.585 ( 0.086 0.000 -0.080) 0.118 10.585 ( -0.086 0.000 0.080) 0.118 11.105 ( -11.275 0.000 2.480) 11.545 11.105 ( 11.275 0.000 -2.480) 11.545 11.878 ( -1.328 0.000 -0.292) 1.360 11.878 ( 1.328 0.000 0.293) 1.360 12.633 ( -0.385 0.000 -1.038) 1.107 12.633 ( 0.385 0.000 1.038) 1.107 14.955 ( -5.930 0.000 0.223) 5.934 14.955 ( 5.930 0.000 -0.223) 5.934 15.190 ( 0.136 0.000 -9.663) 9.664 15.190 ( -0.136 0.000 9.663) 9.664 16.081 ( -2.352 0.000 -4.180) 4.796 16.081 ( 2.352 0.000 4.180) 4.796 16.823 ( -4.897 0.000 0.038) 4.897 16.823 ( 4.897 0.000 -0.038) 4.897 ======================= Grid point 121 (54/72) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 7.118 0.000 11.654) 13.655 0.903 ( 7.148 0.000 7.405) 10.292 0.962 ( 7.133 0.000 -7.456) 10.318 0.965 ( 9.317 0.000 -12.514) 15.602 1.400 ( 1.076 0.000 2.481) 2.704 1.436 ( 0.192 0.000 -2.142) 2.150 1.480 ( -1.229 0.000 10.850) 10.920 1.504 ( 5.081 0.000 -22.499) 23.065 1.873 ( -4.145 0.000 1.365) 4.364 1.978 ( -1.756 0.000 0.619) 1.862 2.148 ( -5.765 0.000 2.184) 6.165 2.276 ( -2.697 0.000 0.228) 2.706 2.382 ( -0.642 0.000 -4.284) 4.332 2.409 ( -1.642 0.000 3.171) 3.571 2.743 ( 1.168 0.000 2.945) 3.169 2.784 ( -0.299 0.000 -3.421) 3.434 2.843 ( 0.557 0.000 2.076) 2.150 2.868 ( -1.315 0.000 2.636) 2.946 2.924 ( -1.674 0.000 1.532) 2.270 2.950 ( -3.858 0.000 0.432) 3.882 3.081 ( 2.912 0.000 -4.471) 5.336 3.107 ( -0.989 0.000 -0.721) 1.224 3.180 ( -1.355 0.000 -2.734) 3.051 3.331 ( 3.023 0.000 -6.962) 7.590 3.351 ( -3.053 0.000 4.670) 5.579 3.410 ( -5.737 0.000 -3.106) 6.524 3.452 ( -5.288 0.000 -1.201) 5.423 3.645 ( -0.231 0.000 -0.099) 0.251 3.662 ( -0.308 0.000 9.491) 9.496 3.745 ( 0.404 0.000 1.193) 1.259 3.875 ( -0.975 0.000 -0.417) 1.060 3.947 ( -3.056 0.000 -4.302) 5.277 3.991 ( -9.517 0.000 0.161) 9.518 4.129 ( 0.315 0.000 -4.591) 4.602 4.176 ( -4.782 0.000 0.075) 4.783 4.197 ( -3.100 0.000 -2.112) 3.751 4.400 ( 7.962 0.000 -2.366) 8.306 4.485 ( -2.683 0.000 3.091) 4.093 4.663 ( 14.479 0.000 0.385) 14.484 4.717 ( 1.056 0.000 0.437) 1.143 5.036 ( -2.844 0.000 -3.533) 4.535 5.092 ( 0.947 0.000 -3.202) 3.339 5.168 ( -1.536 0.000 1.227) 1.966 5.237 ( 2.077 0.000 5.695) 6.061 5.316 ( 0.016 0.000 -1.350) 1.350 5.339 ( -0.184 0.000 -3.239) 3.244 5.702 ( -2.894 0.000 2.808) 4.032 5.702 ( -1.545 0.000 -0.875) 1.776 5.999 ( -4.411 0.000 1.899) 4.802 6.051 ( -1.236 0.000 0.651) 1.397 6.062 ( -1.772 0.000 0.239) 1.788 6.132 ( -7.368 0.000 -4.283) 8.523 6.320 ( 14.147 0.000 -4.042) 14.713 6.473 ( 5.320 0.000 3.861) 6.574 6.633 ( -8.543 0.000 1.579) 8.687 6.785 ( -0.092 0.000 5.864) 5.865 6.820 ( -2.741 0.000 1.383) 3.070 6.918 ( 2.211 0.000 0.162) 2.217 6.935 ( -2.045 0.000 -0.010) 2.045 7.090 ( -0.106 0.000 1.005) 1.011 7.217 ( 2.663 0.000 -0.162) 2.668 7.321 ( -0.825 0.000 3.511) 3.606 7.902 ( 3.504 0.000 1.801) 3.940 7.973 ( -5.926 0.000 -4.830) 7.645 8.314 ( 11.403 0.000 -0.769) 11.429 8.490 ( 8.296 0.000 2.163) 8.573 8.678 ( 0.519 0.000 0.776) 0.933 8.730 ( -1.382 0.000 -0.653) 1.528 10.455 ( -9.039 0.000 -0.852) 9.079 10.520 ( -3.664 0.000 -1.103) 3.826 11.147 ( 10.720 0.000 -2.376) 10.980 11.449 ( 19.714 0.000 -9.361) 21.824 11.838 ( -2.597 0.000 -1.821) 3.172 11.928 ( 4.452 0.000 5.472) 7.054 12.638 ( 0.863 0.000 -1.058) 1.365 12.661 ( 2.155 0.000 0.585) 2.233 14.816 ( -7.253 0.000 4.829) 8.713 14.981 ( -2.680 0.000 -1.693) 3.170 15.232 ( 1.439 0.000 10.880) 10.975 15.237 ( 5.081 0.000 -2.715) 5.761 16.028 ( -2.041 0.000 -4.533) 4.972 16.130 ( 1.668 0.000 3.217) 3.624 16.591 ( -15.391 0.000 -9.262) 17.963 16.784 ( -6.989 0.000 0.723) 7.026 ======================= Grid point 122 (55/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 14.121 0.000 6.120) 15.390 0.974 ( -0.448 0.000 -19.265) 19.270 1.087 ( 8.537 0.000 9.916) 13.085 1.124 ( 5.153 0.000 -5.717) 7.697 1.346 ( -3.220 0.000 -8.401) 8.997 1.443 ( 1.509 0.000 1.811) 2.358 1.540 ( 4.019 0.000 2.765) 4.879 1.602 ( 6.669 0.000 -8.122) 10.509 1.814 ( -2.589 0.000 -0.268) 2.603 1.873 ( -8.601 0.000 -0.358) 8.608 2.104 ( 0.024 0.000 4.638) 4.638 2.237 ( -1.302 0.000 1.138) 1.729 2.321 ( -6.011 0.000 -0.838) 6.069 2.370 ( -0.124 0.000 -0.220) 0.253 2.694 ( -4.773 0.000 0.446) 4.794 2.799 ( 2.588 0.000 -0.242) 2.599 2.826 ( -1.741 0.000 2.178) 2.788 2.885 ( 1.060 0.000 1.278) 1.661 2.938 ( 0.893 0.000 4.404) 4.494 2.950 ( 2.679 0.000 2.488) 3.657 3.081 ( -2.474 0.000 -4.289) 4.951 3.117 ( 0.210 0.000 0.717) 0.747 3.211 ( -3.980 0.000 -2.977) 4.970 3.227 ( 4.804 0.000 -1.830) 5.140 3.270 ( -4.079 0.000 -9.071) 9.946 3.311 ( -2.971 0.000 2.897) 4.150 3.522 ( 5.962 0.000 -0.198) 5.965 3.613 ( -2.952 0.000 1.859) 3.488 3.669 ( -1.360 0.000 10.036) 10.128 3.670 ( -3.926 0.000 1.617) 4.246 3.850 ( -4.149 0.000 -2.093) 4.647 3.906 ( 3.000 0.000 2.342) 3.806 3.943 ( 0.004 0.000 -0.871) 0.871 4.082 ( -4.117 0.000 0.161) 4.120 4.101 ( -4.323 0.000 -3.351) 5.469 4.150 ( 2.077 0.000 -5.935) 6.288 4.425 ( -3.156 0.000 2.552) 4.058 4.519 ( 4.719 0.000 -3.056) 5.622 4.651 ( -7.383 0.000 1.875) 7.618 4.885 ( 5.529 0.000 4.237) 6.966 4.949 ( -4.612 0.000 -6.056) 7.613 5.089 ( -1.943 0.000 -2.042) 2.818 5.143 ( 0.283 0.000 -4.384) 4.393 5.282 ( -4.176 0.000 -4.308) 6.000 5.296 ( 1.109 0.000 12.728) 12.777 5.337 ( 2.676 0.000 -3.208) 4.178 5.640 ( -3.390 0.000 2.977) 4.512 5.673 ( -1.098 0.000 -1.644) 1.977 5.913 ( -3.928 0.000 0.290) 3.938 5.966 ( -6.375 0.000 -2.211) 6.747 6.065 ( 0.205 0.000 -1.384) 1.399 6.088 ( 4.825 0.000 -0.536) 4.855 6.435 ( -5.747 0.000 1.110) 5.854 6.586 ( 11.454 0.000 -4.088) 12.162 6.600 ( 2.167 0.000 6.072) 6.447 6.761 ( -3.487 0.000 8.553) 9.237 6.823 ( 1.637 0.000 -0.387) 1.682 6.945 ( 2.241 0.000 0.880) 2.408 6.969 ( 0.819 0.000 2.872) 2.986 7.120 ( 4.434 0.000 -3.235) 5.489 7.271 ( -1.287 0.000 -3.015) 3.279 7.278 ( 3.135 0.000 1.392) 3.430 7.824 ( -7.152 0.000 -10.042) 12.328 8.012 ( 5.772 0.000 5.804) 8.185 8.351 ( -1.944 0.000 -6.757) 7.031 8.479 ( -8.502 0.000 5.578) 10.168 8.801 ( 7.709 0.000 -4.420) 8.886 8.854 ( 10.091 0.000 8.056) 12.912 10.337 ( -2.885 0.000 2.022) 3.523 10.461 ( -2.082 0.000 -3.327) 3.925 11.324 ( 6.496 0.000 -4.072) 7.666 11.655 ( -2.065 0.000 4.512) 4.962 11.881 ( 12.765 0.000 -16.223) 20.643 12.090 ( 8.994 0.000 12.651) 15.522 12.656 ( 1.173 0.000 -0.943) 1.505 12.707 ( 2.179 0.000 -0.286) 2.198 14.719 ( -3.604 0.000 6.344) 7.296 14.897 ( -4.551 0.000 -3.478) 5.728 15.278 ( 1.015 0.000 11.295) 11.340 15.321 ( 3.250 0.000 -0.675) 3.319 15.985 ( -1.357 0.000 -4.326) 4.533 16.133 ( -3.132 0.000 -2.123) 3.784 16.317 ( -6.980 0.000 -9.948) 12.152 16.620 ( -9.092 0.000 2.859) 9.531 ======================= Grid point 123 (56/72) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.141 0.000 -14.520) 14.521 1.045 ( -7.123 0.000 -2.506) 7.551 1.207 ( 10.695 0.000 3.003) 11.108 1.274 ( 8.253 0.000 5.854) 10.118 1.412 ( 7.283 0.000 -9.883) 12.277 1.444 ( -1.606 0.000 -1.039) 1.913 1.620 ( 2.348 0.000 4.113) 4.736 1.677 ( 1.001 0.000 -0.276) 1.039 1.681 ( -8.514 0.000 -1.630) 8.668 1.738 ( -5.169 0.000 1.403) 5.356 2.129 ( 1.174 0.000 1.525) 1.924 2.195 ( -3.135 0.000 -1.229) 3.367 2.246 ( -0.451 0.000 -1.260) 1.338 2.340 ( -3.645 0.000 3.675) 5.177 2.657 ( 0.335 0.000 1.135) 1.183 2.760 ( -3.270 0.000 -1.865) 3.765 2.859 ( 1.007 0.000 4.822) 4.926 2.901 ( 1.346 0.000 2.012) 2.421 2.955 ( -1.040 0.000 2.568) 2.770 2.980 ( 0.138 0.000 -1.234) 1.242 3.018 ( -1.412 0.000 -2.851) 3.182 3.077 ( -2.370 0.000 -0.281) 2.387 3.207 ( 1.925 0.000 -7.755) 7.990 3.225 ( 2.678 0.000 3.748) 4.606 3.331 ( 2.821 0.000 2.725) 3.922 3.342 ( 3.678 0.000 -3.611) 5.154 3.569 ( -1.019 0.000 -1.646) 1.936 3.590 ( 0.199 0.000 1.838) 1.848 3.645 ( -1.155 0.000 3.774) 3.947 3.654 ( 0.939 0.000 2.892) 3.040 3.835 ( 1.928 0.000 -1.763) 2.613 3.908 ( -2.062 0.000 -0.390) 2.098 3.951 ( -0.093 0.000 7.470) 7.471 4.010 ( -3.846 0.000 -3.661) 5.310 4.063 ( 3.292 0.000 -2.578) 4.181 4.183 ( 0.713 0.000 -4.065) 4.127 4.378 ( -1.737 0.000 2.434) 2.990 4.480 ( -7.719 0.000 1.677) 7.899 4.602 ( 3.933 0.000 -1.780) 4.317 4.855 ( -2.932 0.000 -6.078) 6.748 4.894 ( -3.817 0.000 6.168) 7.253 4.945 ( -11.534 0.000 -0.826) 11.564 5.184 ( 4.517 0.000 -10.439) 11.374 5.252 ( 2.025 0.000 0.950) 2.237 5.317 ( -0.556 0.000 6.134) 6.159 5.360 ( -2.324 0.000 4.873) 5.399 5.609 ( 0.346 0.000 2.174) 2.201 5.655 ( -0.198 0.000 -3.919) 3.924 5.852 ( -2.225 0.000 -1.565) 2.720 5.861 ( -3.724 0.000 -0.363) 3.742 6.092 ( 2.610 0.000 -1.495) 3.008 6.182 ( 2.097 0.000 -0.621) 2.187 6.387 ( 2.933 0.000 -3.388) 4.481 6.653 ( -5.479 0.000 7.141) 9.001 6.660 ( 2.980 0.000 4.764) 5.619 6.744 ( 1.597 0.000 1.474) 2.173 6.853 ( 1.152 0.000 0.749) 1.374 6.933 ( -3.702 0.000 0.789) 3.785 7.007 ( 3.305 0.000 1.959) 3.842 7.128 ( -2.410 0.000 -2.779) 3.678 7.346 ( 3.522 0.000 3.255) 4.796 7.410 ( 11.619 0.000 -8.331) 14.298 7.688 ( -1.346 0.000 -12.602) 12.674 8.084 ( -4.107 0.000 13.928) 14.521 8.308 ( -5.803 0.000 0.196) 5.807 8.320 ( -0.265 0.000 -4.573) 4.581 8.927 ( 5.432 0.000 -3.094) 6.251 8.990 ( 2.630 0.000 4.485) 5.199 10.331 ( 0.951 0.000 4.747) 4.841 10.417 ( -1.697 0.000 -4.816) 5.106 11.405 ( 3.571 0.000 -4.306) 5.594 11.563 ( -5.784 0.000 4.232) 7.167 12.110 ( 11.402 0.000 -12.925) 17.236 12.251 ( 3.250 0.000 12.655) 13.066 12.685 ( 1.965 0.000 0.060) 1.966 12.736 ( 0.640 0.000 -0.985) 1.175 14.697 ( -0.062 0.000 5.721) 5.722 14.804 ( -3.946 0.000 -4.182) 5.750 15.317 ( 0.662 0.000 10.886) 10.906 15.356 ( 0.906 0.000 -4.401) 4.493 15.959 ( -0.460 0.000 -2.996) 3.031 16.021 ( -4.522 0.000 -6.114) 7.604 16.285 ( 2.030 0.000 -1.933) 2.803 16.462 ( -7.331 0.000 2.728) 7.822 ======================= Grid point 124 (57/72) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 3.352 0.000 -3.332) 4.727 0.940 ( -3.352 0.000 3.332) 4.727 1.371 ( -5.536 0.000 -2.869) 6.235 1.371 ( 5.536 0.000 2.869) 6.235 1.426 ( -5.908 0.000 -2.636) 6.470 1.426 ( 5.908 0.000 2.636) 6.470 1.606 ( 5.071 0.000 -6.109) 7.939 1.606 ( -5.071 0.000 6.109) 7.939 1.687 ( -1.772 0.000 -1.884) 2.586 1.687 ( 1.772 0.000 1.884) 2.586 2.152 ( -1.181 0.000 -1.239) 1.712 2.152 ( 1.181 0.000 1.239) 1.712 2.270 ( 3.302 0.000 -3.618) 4.898 2.270 ( -3.302 0.000 3.618) 4.898 2.691 ( -2.880 0.000 -0.960) 3.036 2.691 ( 2.880 0.000 0.960) 3.036 2.893 ( -1.774 0.000 -5.924) 6.184 2.893 ( 1.774 0.000 5.924) 6.184 2.958 ( -1.226 0.000 -6.760) 6.870 2.958 ( 1.226 0.000 6.760) 6.870 3.039 ( 2.158 0.000 -1.377) 2.560 3.039 ( -2.158 0.000 1.377) 2.560 3.249 ( 2.215 0.000 -7.311) 7.639 3.249 ( -2.215 0.000 7.311) 7.639 3.365 ( -0.226 0.000 -1.635) 1.651 3.365 ( 0.226 0.000 1.635) 1.651 3.566 ( 1.548 0.000 -4.490) 4.749 3.566 ( -1.548 0.000 4.490) 4.749 3.662 ( 1.274 0.000 -1.399) 1.893 3.662 ( -1.274 0.000 1.399) 1.893 3.876 ( -2.117 0.000 0.686) 2.225 3.876 ( 2.117 0.000 -0.686) 2.225 3.961 ( -0.074 0.000 -5.390) 5.391 3.961 ( 0.074 0.000 5.390) 5.391 4.144 ( -3.783 0.000 -0.110) 3.785 4.144 ( 3.783 0.000 0.110) 3.785 4.381 ( -2.044 0.000 -1.104) 2.323 4.381 ( 2.044 0.000 1.104) 2.323 4.722 ( -9.233 0.000 -0.291) 9.237 4.722 ( 9.233 0.000 0.291) 9.237 4.835 ( 2.142 0.000 -5.379) 5.790 4.835 ( -2.142 0.000 5.379) 5.790 5.272 ( 6.395 0.000 -11.024) 12.745 5.272 ( -6.395 0.000 11.024) 12.745 5.303 ( -1.888 0.000 -1.984) 2.739 5.303 ( 1.888 0.000 1.984) 2.739 5.639 ( -1.049 0.000 -3.491) 3.645 5.639 ( 1.049 0.000 3.491) 3.645 5.825 ( 0.130 0.000 -1.677) 1.682 5.825 ( -0.130 0.000 1.677) 1.682 6.151 ( 3.391 0.000 -1.274) 3.622 6.151 ( -3.391 0.000 1.274) 3.622 6.517 ( 9.051 0.000 -8.645) 12.517 6.517 ( -9.051 0.000 8.645) 12.517 6.730 ( -2.975 0.000 -0.873) 3.100 6.730 ( 2.975 0.000 0.873) 3.100 6.876 ( -1.404 0.000 -2.311) 2.704 6.876 ( 1.404 0.000 2.311) 2.704 7.072 ( -2.739 0.000 -2.894) 3.984 7.072 ( 2.739 0.000 2.894) 3.984 7.432 ( -3.869 0.000 -6.130) 7.248 7.432 ( 3.869 0.000 6.130) 7.248 7.866 ( 16.664 0.000 -13.991) 21.758 7.866 ( -16.664 0.000 13.991) 21.758 8.300 ( -1.303 0.000 -2.071) 2.447 8.300 ( 1.303 0.000 2.071) 2.447 8.997 ( 2.182 0.000 -2.804) 3.553 8.997 ( -2.182 0.000 2.804) 3.553 10.372 ( -1.840 0.000 -5.399) 5.704 10.372 ( 1.840 0.000 5.399) 5.704 11.471 ( 4.329 0.000 -3.966) 5.871 11.471 ( -4.329 0.000 3.966) 5.871 12.252 ( 5.186 0.000 -10.999) 12.160 12.252 ( -5.186 0.000 10.999) 12.160 12.725 ( -1.473 0.000 -1.168) 1.880 12.725 ( 1.473 0.000 1.168) 1.880 14.732 ( -2.386 0.000 -4.843) 5.399 14.732 ( 2.386 0.000 4.843) 5.399 15.347 ( -0.294 0.000 -8.759) 8.764 15.347 ( 0.294 0.000 8.759) 8.764 15.961 ( -1.170 0.000 -0.570) 1.301 15.961 ( 1.170 0.000 0.570) 1.301 16.348 ( 4.700 0.000 -1.896) 5.068 16.348 ( -4.700 0.000 1.896) 5.068 ======================= Grid point 129 (58/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 7.991 8.214 -8.522) 14.281 0.802 ( -7.991 8.214 8.522) 14.281 0.998 ( -0.741 10.498 -11.707) 15.742 0.998 ( 0.741 10.498 11.707) 15.742 1.398 ( 1.111 -0.493 -3.905) 4.090 1.398 ( -1.111 -0.493 3.905) 4.090 1.565 ( 2.201 7.424 -16.923) 18.610 1.565 ( -2.201 7.424 16.923) 18.610 2.007 ( 0.564 2.989 -4.393) 5.343 2.007 ( -0.564 2.989 4.393) 5.343 2.251 ( -3.464 -4.172 -2.838) 6.120 2.251 ( 3.464 -4.172 2.838) 6.120 2.390 ( -0.286 2.456 -3.773) 4.511 2.390 ( 0.286 2.456 3.773) 4.511 2.789 ( 1.887 3.210 -1.827) 4.147 2.789 ( -1.887 3.210 1.827) 4.147 2.848 ( -0.174 0.849 -4.065) 4.156 2.848 ( 0.174 0.849 4.065) 4.156 2.997 ( 2.892 -0.554 -4.706) 5.551 2.997 ( -2.892 -0.554 4.706) 5.551 3.116 ( -6.352 0.764 -0.491) 6.417 3.116 ( 6.352 0.764 0.491) 6.417 3.190 ( 0.811 -0.958 -1.573) 2.012 3.190 ( -0.811 -0.958 1.573) 2.012 3.418 ( 0.629 -1.118 -3.659) 3.877 3.418 ( -0.629 -1.118 3.659) 3.877 3.544 ( -1.799 -4.235 -5.640) 7.279 3.544 ( 1.799 -4.235 5.640) 7.279 3.698 ( -4.376 0.599 -4.193) 6.090 3.698 ( 4.376 0.599 4.193) 6.090 3.987 ( -2.588 1.690 -1.660) 3.509 3.987 ( 2.588 1.690 1.660) 3.509 4.176 ( 0.280 -0.461 -4.836) 4.866 4.176 ( -0.280 -0.461 4.836) 4.866 4.238 ( -0.631 -0.849 -5.006) 5.116 4.238 ( 0.631 -0.849 5.006) 5.116 4.337 ( -1.675 6.180 -1.580) 6.595 4.337 ( 1.675 6.180 1.580) 6.595 4.650 ( -4.320 0.526 -0.370) 4.367 4.650 ( 4.320 0.526 0.370) 4.367 4.990 ( 0.764 -5.343 -2.372) 5.896 4.990 ( -0.764 -5.343 2.372) 5.896 5.273 ( -3.182 4.332 -6.707) 8.594 5.273 ( 3.182 4.332 6.707) 8.594 5.342 ( 2.470 0.595 -4.536) 5.199 5.342 ( -2.470 0.595 4.536) 5.199 5.750 ( -0.428 2.057 -1.770) 2.747 5.750 ( 0.428 2.057 1.770) 2.747 6.053 ( -0.381 -0.748 -0.630) 1.050 6.053 ( 0.381 -0.748 0.630) 1.050 6.127 ( 5.544 0.719 -2.560) 6.149 6.127 ( -5.544 0.719 2.560) 6.149 6.303 ( -8.463 -0.676 -2.485) 8.846 6.303 ( 8.463 -0.676 2.485) 8.846 6.719 ( -1.811 -2.593 -2.198) 3.851 6.719 ( 1.811 -2.593 2.198) 3.851 6.851 ( -1.413 -2.553 -1.450) 3.259 6.851 ( 1.413 -2.553 1.450) 3.259 7.032 ( -5.751 -2.569 0.493) 6.318 7.032 ( 5.751 -2.569 -0.493) 6.318 7.294 ( -7.205 5.361 -3.276) 9.560 7.294 ( 7.205 5.361 3.276) 9.560 7.907 ( -6.139 -1.331 -2.120) 6.630 7.907 ( 6.139 -1.331 2.120) 6.630 8.302 ( -9.639 1.983 -3.519) 10.451 8.302 ( 9.639 1.983 3.519) 10.451 8.625 ( -5.704 -8.749 -7.317) 12.753 8.625 ( 5.704 -8.749 7.317) 12.753 10.610 ( -2.504 1.929 -0.163) 3.165 10.610 ( 2.504 1.929 0.163) 3.165 11.078 ( -8.884 -2.330 0.711) 9.212 11.078 ( 8.884 -2.330 -0.711) 9.212 11.969 ( 4.493 7.095 -15.389) 17.531 11.969 ( -4.493 7.095 15.389) 17.531 12.662 ( -1.117 2.406 -0.994) 2.833 12.662 ( 1.117 2.406 0.994) 2.833 14.914 ( -0.176 -2.499 -5.357) 5.914 14.914 ( 0.176 -2.499 5.357) 5.914 15.243 ( -1.819 3.645 -6.482) 7.655 15.243 ( 1.819 3.645 6.482) 7.655 16.100 ( -2.428 1.811 -4.067) 5.071 16.100 ( 2.428 1.811 4.067) 5.071 16.738 ( -5.460 -7.097 -2.843) 9.394 16.738 ( 5.460 -7.097 2.843) 9.394 ======================= Grid point 131 (59/72) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 1.165 5.245 11.445) 12.643 0.957 ( 7.341 4.734 -8.597) 12.256 1.046 ( 6.612 6.832 -10.873) 14.444 1.101 ( 5.281 10.512 4.466) 12.583 1.390 ( 0.092 -1.004 2.429) 2.630 1.427 ( 2.827 -0.264 -2.256) 3.627 1.503 ( -3.664 3.986 0.779) 5.470 1.630 ( 4.623 10.209 -8.938) 14.334 1.951 ( -2.925 5.268 2.256) 6.434 2.023 ( -1.114 2.422 2.781) 3.852 2.154 ( -3.459 -1.353 -2.198) 4.316 2.310 ( -1.927 -4.313 -0.858) 4.801 2.329 ( -1.250 5.852 2.101) 6.342 2.404 ( -0.415 -0.183 0.330) 0.560 2.758 ( -0.553 1.417 2.635) 3.043 2.805 ( -7.122 0.716 -0.915) 7.216 2.842 ( -0.402 -0.138 -1.613) 1.668 2.872 ( 2.741 2.418 0.639) 3.711 2.905 ( 0.016 -0.072 2.207) 2.208 2.965 ( -2.323 -1.065 -0.884) 2.705 3.081 ( 0.866 1.157 -1.543) 2.114 3.162 ( 0.836 3.837 0.612) 3.974 3.194 ( 0.522 1.515 -2.764) 3.195 3.291 ( 4.203 -3.050 1.708) 5.466 3.326 ( -4.407 -0.989 -6.778) 8.145 3.396 ( -3.818 -0.465 -1.744) 4.223 3.442 ( -3.280 -0.501 0.898) 3.438 3.591 ( 0.491 -2.772 4.992) 5.731 3.692 ( 2.526 1.587 -1.073) 3.170 3.743 ( -0.612 -0.972 5.899) 6.010 3.955 ( -5.268 1.758 -0.100) 5.554 3.969 ( -2.071 6.403 -2.519) 7.185 4.057 ( -6.700 1.851 -1.355) 7.082 4.097 ( -2.189 -1.577 -1.254) 2.975 4.156 ( -2.114 0.500 -5.591) 5.998 4.258 ( -2.496 3.373 0.596) 4.238 4.407 ( 3.311 0.496 -0.463) 3.380 4.449 ( 0.700 -3.535 2.579) 4.431 4.600 ( 6.198 -2.582 1.019) 6.791 4.744 ( 1.000 1.305 1.161) 2.012 4.980 ( -0.502 -6.021 -1.732) 6.285 5.035 ( 3.398 -3.290 -1.266) 4.896 5.162 ( -5.600 0.943 -1.759) 5.945 5.285 ( -1.782 0.789 4.481) 4.886 5.332 ( 0.630 1.258 -1.172) 1.831 5.380 ( 0.931 3.293 -1.272) 3.650 5.717 ( -2.061 1.824 -0.284) 2.767 5.752 ( -0.517 3.464 0.106) 3.503 5.998 ( -3.475 0.055 0.466) 3.506 6.051 ( -2.492 0.562 1.279) 2.857 6.060 ( -1.272 -0.601 -0.302) 1.439 6.136 ( -7.117 0.275 -3.644) 8.000 6.295 ( 10.801 -2.080 -1.944) 11.170 6.457 ( 5.059 -1.930 2.657) 6.031 6.617 ( -7.135 -1.170 1.908) 7.478 6.725 ( -0.755 -4.771 2.830) 5.598 6.836 ( 2.382 0.290 1.217) 2.690 6.873 ( -0.327 -1.300 1.626) 2.107 6.975 ( 0.851 1.551 0.948) 2.007 7.122 ( 2.919 -3.878 0.303) 4.863 7.175 ( -3.815 4.813 -1.008) 6.224 7.399 ( 2.022 5.351 3.476) 6.693 7.872 ( 1.484 -2.367 -0.566) 2.851 7.995 ( -3.486 1.289 -2.660) 4.570 8.295 ( 11.078 -2.260 0.344) 11.311 8.468 ( -2.563 -9.320 -2.001) 9.870 8.509 ( 3.892 -1.818 -2.414) 4.927 8.737 ( 6.543 -3.173 3.533) 8.085 10.465 ( -9.249 0.880 -0.584) 9.309 10.526 ( -6.219 0.394 -0.712) 6.272 11.159 ( 12.029 0.735 -1.032) 12.095 11.395 ( 19.477 -4.629 -5.041) 20.645 11.890 ( -6.076 4.800 13.052) 15.176 12.000 ( 2.386 5.458 -12.842) 14.156 12.665 ( 1.534 2.441 -1.418) 3.213 12.707 ( 2.765 3.621 2.471) 5.183 14.804 ( -5.831 -0.494 3.596) 6.868 14.954 ( -1.168 -2.413 -1.017) 2.867 15.219 ( 0.916 1.786 -0.058) 2.008 15.308 ( 2.456 3.038 6.534) 7.613 16.043 ( -2.367 1.395 -4.031) 4.878 16.151 ( 1.607 1.842 2.992) 3.863 16.530 ( -12.557 -4.836 -8.619) 15.979 16.739 ( -4.928 -4.378 1.705) 6.809 ======================= Grid point 132 (60/72) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 9.626 -1.038 7.517) 12.258 1.001 ( 0.630 2.442 -17.020) 17.205 1.135 ( 3.385 0.952 -8.008) 8.746 1.246 ( 7.237 8.248 7.996) 13.577 1.379 ( -1.295 3.215 -8.611) 9.282 1.429 ( 1.814 0.288 0.644) 1.947 1.542 ( 4.566 0.108 4.779) 6.611 1.688 ( 2.434 7.526 -6.022) 9.941 1.913 ( -2.579 8.007 1.777) 8.597 1.956 ( -6.124 5.582 2.447) 8.640 2.116 ( -0.198 0.293 -2.088) 2.118 2.237 ( -3.286 -1.197 0.516) 3.535 2.315 ( -2.434 3.142 2.530) 4.712 2.391 ( -0.594 0.825 0.057) 1.018 2.673 ( -3.535 -1.176 0.363) 3.743 2.770 ( 0.889 -3.031 1.986) 3.731 2.845 ( 0.568 0.405 -1.859) 1.985 2.871 ( -2.019 1.844 0.159) 2.739 2.909 ( 0.006 -0.726 2.258) 2.372 3.006 ( 3.712 0.729 -0.045) 3.783 3.089 ( -0.327 3.722 1.909) 4.196 3.145 ( -3.138 -2.807 -1.637) 4.517 3.182 ( -2.197 4.104 -1.177) 4.802 3.280 ( -3.354 1.270 -4.165) 5.496 3.297 ( 0.051 -0.513 1.271) 1.372 3.312 ( 4.003 5.103 -5.033) 8.209 3.519 ( 6.166 0.044 0.626) 6.198 3.590 ( -1.250 -1.193 2.093) 2.714 3.660 ( -4.340 -0.562 8.716) 9.753 3.742 ( -1.009 5.893 2.272) 6.396 3.901 ( 1.965 -0.365 2.148) 2.934 3.915 ( -5.651 3.681 -2.197) 7.093 3.948 ( -2.941 0.478 -1.193) 3.210 4.042 ( -1.703 -1.920 -1.860) 3.170 4.145 ( -2.020 2.612 -4.132) 5.289 4.189 ( -1.259 2.254 -2.968) 3.934 4.399 ( -2.261 -2.045 2.234) 3.779 4.484 ( 3.508 -3.153 -2.059) 5.146 4.644 ( -7.920 -0.964 3.097) 8.558 4.766 ( 4.200 -8.740 3.150) 10.195 4.910 ( -5.653 -2.875 -5.405) 8.332 5.061 ( -2.428 -3.122 1.875) 4.377 5.124 ( 2.038 -0.891 -5.909) 6.314 5.258 ( -1.415 -0.539 -0.661) 1.652 5.346 ( -0.457 1.486 0.349) 1.593 5.370 ( -0.251 1.922 5.561) 5.889 5.686 ( -0.800 4.888 1.083) 5.070 5.740 ( -0.309 4.196 -2.756) 5.030 5.909 ( -5.149 1.086 0.597) 5.296 5.977 ( -5.514 0.474 -1.752) 5.805 6.050 ( 0.032 -1.523 -1.650) 2.246 6.076 ( 3.024 -0.994 -0.182) 3.188 6.398 ( -3.623 -3.745 1.996) 5.580 6.534 ( 6.982 -4.265 -4.055) 9.132 6.586 ( 2.259 -1.476 5.198) 5.857 6.736 ( 0.447 -2.695 5.433) 6.082 6.848 ( -1.501 1.975 4.140) 4.827 6.903 ( 2.546 -1.397 -0.708) 2.989 7.018 ( 0.116 2.022 2.393) 3.135 7.120 ( -1.464 -3.759 -1.694) 4.375 7.211 ( 9.107 4.881 -3.340) 10.859 7.420 ( 0.683 7.163 0.480) 7.212 7.809 ( -6.654 -1.474 -9.738) 11.887 8.001 ( 4.388 -1.057 4.543) 6.403 8.319 ( -2.847 -3.378 -6.567) 7.915 8.424 ( -6.129 -5.901 5.423) 10.089 8.679 ( 11.548 -4.342 1.385) 12.414 8.916 ( 8.755 0.485 2.141) 9.025 10.325 ( -4.285 -0.699 0.752) 4.407 10.434 ( -3.150 -2.137 -2.152) 4.373 11.363 ( 7.517 3.160 -2.335) 8.482 11.715 ( 6.744 2.753 0.521) 7.303 11.810 ( 2.731 -3.644 0.015) 4.554 12.065 ( 5.985 -1.796 -1.275) 6.378 12.701 ( 2.231 3.721 -2.410) 4.962 12.765 ( 2.285 4.432 2.722) 5.680 14.721 ( -3.232 0.416 4.668) 5.693 14.887 ( -4.340 -1.076 -2.630) 5.188 15.260 ( 2.210 -0.074 4.050) 4.614 15.355 ( 1.008 1.626 5.311) 5.645 15.995 ( -1.604 0.980 -3.534) 4.003 16.147 ( -3.546 0.972 -2.636) 4.524 16.312 ( -5.106 -0.220 -7.477) 9.057 16.604 ( -8.119 -1.662 2.536) 8.667 ======================= Grid point 133 (61/72) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.439 0.114 -11.807) 11.816 1.062 ( -6.571 0.973 -3.189) 7.368 1.141 ( 10.570 -1.314 2.317) 10.901 1.352 ( 1.988 -1.141 -0.994) 2.498 1.448 ( 5.938 7.882 -1.305) 9.954 1.490 ( 5.097 2.250 -2.672) 6.179 1.610 ( 1.048 0.949 3.772) 4.029 1.698 ( -2.258 2.391 -0.610) 3.345 1.796 ( -5.242 10.119 0.751) 11.421 1.866 ( -4.579 9.298 1.900) 10.537 2.122 ( 0.894 -0.587 -0.661) 1.257 2.192 ( -1.523 -0.323 -0.614) 1.674 2.263 ( -1.930 1.623 -0.303) 2.540 2.354 ( -3.780 0.755 1.762) 4.238 2.666 ( 1.753 1.752 0.530) 2.534 2.789 ( -1.225 -2.150 0.894) 2.631 2.842 ( 1.192 1.545 0.343) 1.981 2.861 ( 0.747 -0.441 2.293) 2.452 2.918 ( 0.104 -1.404 3.161) 3.460 3.001 ( -4.223 0.264 -4.573) 6.230 3.060 ( 1.327 0.578 -1.950) 2.429 3.095 ( -3.599 2.175 -0.122) 4.207 3.183 ( 2.349 1.966 -0.964) 3.211 3.248 ( 1.005 0.962 1.061) 1.749 3.334 ( 3.543 1.082 2.606) 4.529 3.405 ( 2.426 4.114 -3.740) 6.067 3.567 ( 0.426 -0.773 -1.690) 1.907 3.595 ( -2.030 0.264 5.524) 5.891 3.641 ( 3.429 1.500 -0.815) 3.831 3.732 ( -1.344 5.045 4.135) 6.661 3.848 ( -0.354 1.535 -2.144) 2.660 3.888 ( -1.419 -0.653 0.318) 1.595 3.959 ( 1.937 -0.048 4.142) 4.573 4.005 ( -2.207 -0.648 -2.109) 3.121 4.085 ( -0.802 1.134 -2.968) 3.277 4.176 ( -1.732 -0.493 -2.404) 3.004 4.385 ( 0.421 1.202 1.704) 2.127 4.483 ( -6.790 -0.102 1.249) 6.905 4.555 ( 4.643 -4.726 -1.923) 6.899 4.786 ( -2.394 -8.530 5.104) 10.224 4.798 ( -3.801 -3.909 -4.394) 7.002 4.922 ( -10.987 -2.237 -0.407) 11.219 5.176 ( 4.548 -1.030 -6.494) 7.995 5.251 ( 1.340 0.653 -1.886) 2.404 5.313 ( -2.362 -0.770 4.608) 5.235 5.375 ( -2.543 0.991 4.459) 5.228 5.702 ( 1.833 7.656 3.588) 8.652 5.733 ( 0.411 4.888 -5.338) 7.249 5.823 ( -2.659 -0.184 0.078) 2.667 5.893 ( -3.217 1.757 -1.470) 3.949 6.061 ( 1.722 -2.675 -1.454) 3.498 6.145 ( 1.172 -3.341 0.300) 3.554 6.360 ( 2.373 -2.825 -2.500) 4.456 6.559 ( -2.486 -5.260 3.426) 6.752 6.700 ( 5.497 -4.354 -0.308) 7.019 6.755 ( 0.813 2.279 7.971) 8.330 6.817 ( -2.345 -1.238 3.346) 4.270 6.912 ( -2.762 0.571 -1.895) 3.398 7.009 ( 1.024 -0.276 1.611) 1.929 7.087 ( -1.528 -3.026 -2.154) 4.017 7.412 ( 4.766 6.463 1.405) 8.152 7.484 ( 8.674 5.354 -6.395) 12.033 7.681 ( -0.620 -0.608 -11.319) 11.353 8.069 ( -2.492 -1.714 12.046) 12.420 8.262 ( -4.256 -3.783 -0.694) 5.736 8.289 ( -3.033 -3.366 -2.715) 5.282 8.876 ( 8.173 -2.441 0.226) 8.532 9.026 ( 1.734 0.960 1.284) 2.362 10.295 ( 0.382 -2.775 2.926) 4.050 10.379 ( -2.199 -3.183 -3.343) 5.113 11.458 ( 3.808 4.531 -3.050) 6.658 11.634 ( -6.456 5.748 4.189) 9.606 12.025 ( 11.225 -6.579 -6.891) 14.723 12.175 ( 3.131 -5.820 4.956) 8.260 12.742 ( 2.507 4.464 -2.352) 5.634 12.797 ( 0.300 4.598 2.235) 5.121 14.697 ( -0.170 0.167 4.246) 4.253 14.797 ( -3.970 -0.688 -3.173) 5.129 15.309 ( 1.778 -0.199 4.710) 5.038 15.367 ( -0.447 0.555 1.409) 1.579 15.968 ( -0.510 0.872 -1.635) 1.922 16.036 ( -4.361 1.082 -6.550) 7.943 16.293 ( 1.848 0.827 -1.398) 2.460 16.459 ( -6.883 -0.410 2.366) 7.290 ======================= Grid point 134 (62/72) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 3.839 0.856 -3.288) 5.127 0.951 ( -3.839 0.856 3.288) 5.127 1.308 ( -5.573 -2.801 -1.966) 6.539 1.308 ( 5.573 -2.801 1.966) 6.539 1.552 ( -2.662 8.412 -2.330) 9.125 1.552 ( 2.662 8.412 2.330) 9.125 1.610 ( 0.620 0.049 -4.211) 4.257 1.610 ( -0.620 0.049 4.211) 4.257 1.791 ( 1.403 9.282 -1.820) 9.562 1.791 ( -1.403 9.282 1.820) 9.562 2.153 ( -1.367 0.296 -2.101) 2.524 2.153 ( 1.367 0.296 2.101) 2.524 2.277 ( 2.585 0.350 -1.478) 2.998 2.277 ( -2.585 0.350 1.478) 2.998 2.725 ( -3.672 2.746 -0.350) 4.599 2.725 ( 3.672 2.746 0.350) 4.599 2.874 ( -0.515 -1.699 -3.128) 3.597 2.874 ( 0.515 -1.699 3.128) 3.597 2.934 ( -0.957 -0.965 -4.273) 4.484 2.934 ( 0.957 -0.965 4.273) 4.484 3.064 ( -0.350 1.993 -5.300) 5.673 3.064 ( 0.350 1.993 5.300) 5.673 3.242 ( 2.163 -0.145 -5.350) 5.773 3.242 ( -2.163 -0.145 5.350) 5.773 3.397 ( -1.913 2.553 -2.255) 3.907 3.397 ( 1.913 2.553 2.255) 3.907 3.571 ( 0.826 -0.054 -4.947) 5.016 3.571 ( -0.826 -0.054 4.947) 5.016 3.699 ( 2.628 3.241 -3.438) 5.406 3.699 ( -2.628 3.241 3.438) 5.406 3.868 ( 1.441 0.106 -2.892) 3.232 3.868 ( -1.441 0.106 2.892) 3.232 3.985 ( 0.849 1.282 -4.645) 4.893 3.985 ( -0.849 1.282 4.645) 4.893 4.108 ( 2.030 -2.545 -3.757) 4.971 4.108 ( -2.030 -2.545 3.757) 4.971 4.408 ( -1.628 1.910 -1.500) 2.924 4.408 ( 1.628 1.910 1.500) 2.924 4.694 ( -9.499 -3.320 0.559) 10.078 4.694 ( 9.499 -3.320 -0.559) 10.078 4.759 ( 0.395 -5.363 -3.738) 6.550 4.759 ( -0.395 -5.363 3.738) 6.550 5.258 ( 3.799 -2.278 -3.738) 5.796 5.258 ( -3.799 -2.278 3.738) 5.796 5.303 ( 1.535 1.646 -3.892) 4.496 5.303 ( -1.535 1.646 3.892) 4.496 5.731 ( 0.230 6.011 -5.445) 8.114 5.731 ( -0.230 6.011 5.445) 8.114 5.830 ( -2.570 1.480 -0.757) 3.061 5.830 ( 2.570 1.480 0.757) 3.061 6.110 ( 1.525 -3.651 -0.897) 4.057 6.110 ( -1.525 -3.651 0.897) 4.057 6.468 ( 6.938 -4.356 -5.857) 10.070 6.468 ( -6.938 -4.356 5.857) 10.070 6.768 ( 2.583 -1.270 -1.479) 3.237 6.768 ( -2.583 -1.270 1.479) 3.237 6.828 ( -3.893 0.190 -5.659) 6.871 6.828 ( 3.893 0.190 5.659) 6.871 7.049 ( -0.829 -1.602 -4.218) 4.588 7.049 ( 0.829 -1.602 4.218) 4.588 7.483 ( -2.664 4.333 -6.234) 8.046 7.483 ( 2.664 4.333 6.234) 8.046 7.877 ( 13.614 0.699 -13.287) 19.036 7.877 ( -13.614 0.699 13.287) 19.036 8.253 ( -1.542 -4.199 -1.893) 4.857 8.253 ( 1.542 -4.199 1.893) 4.857 8.999 ( -1.199 -0.007 -2.513) 2.784 8.999 ( 1.199 -0.007 2.513) 2.784 10.330 ( -1.787 -3.482 -4.196) 5.738 10.330 ( 1.787 -3.482 4.196) 5.738 11.531 ( 3.095 5.012 -3.589) 6.897 11.531 ( -3.095 5.012 3.589) 6.897 12.172 ( 3.313 -6.193 -8.466) 11.000 12.172 ( -3.313 -6.193 8.466) 11.000 12.784 ( 1.029 4.496 -5.173) 6.931 12.784 ( -1.029 4.496 5.173) 6.931 14.727 ( -2.147 -0.354 -3.871) 4.440 14.727 ( 2.147 -0.354 3.871) 4.440 15.347 ( -0.082 0.067 -6.667) 6.668 15.347 ( 0.082 0.067 6.667) 6.668 15.974 ( -1.164 1.071 -2.342) 2.826 15.974 ( 1.164 1.071 2.342) 2.826 16.352 ( 2.397 0.291 -1.046) 2.631 16.352 ( -2.397 0.291 1.046) 2.631 ======================= Grid point 139 (63/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 1.599 10.584 -3.387) 11.227 1.008 ( -1.599 10.584 3.387) 11.227 1.221 ( -3.528 9.150 -11.895) 15.416 1.221 ( 3.528 9.150 11.895) 15.416 1.390 ( 1.137 0.468 -2.614) 2.889 1.390 ( -1.137 0.468 2.614) 2.889 1.757 ( -4.959 8.700 -5.088) 11.232 1.757 ( 4.959 8.700 5.088) 11.232 2.041 ( -1.154 0.135 -7.395) 7.486 2.041 ( 1.154 0.135 7.395) 7.486 2.145 ( -5.771 -2.388 -1.669) 6.465 2.145 ( 5.771 -2.388 1.669) 6.465 2.454 ( 0.061 0.727 -3.286) 3.366 2.454 ( -0.061 0.727 3.286) 3.366 2.847 ( -4.758 1.390 -1.051) 5.067 2.847 ( 4.758 1.390 1.051) 5.066 2.880 ( -1.786 1.082 -2.513) 3.268 2.880 ( 1.786 1.082 2.513) 3.268 2.996 ( 0.957 3.047 -5.884) 6.695 2.996 ( -0.957 3.047 5.884) 6.695 3.102 ( -4.735 -1.146 -0.914) 4.957 3.102 ( 4.735 -1.146 0.914) 4.957 3.254 ( -0.976 3.661 -5.167) 6.407 3.254 ( 0.976 3.661 5.167) 6.407 3.394 ( -0.225 0.161 -4.672) 4.680 3.394 ( 0.225 0.161 4.672) 4.680 3.480 ( -2.623 -1.398 -2.375) 3.805 3.480 ( 2.623 -1.398 2.375) 3.805 3.707 ( -2.018 0.999 -3.242) 3.947 3.707 ( 2.018 0.999 3.242) 3.947 3.956 ( -1.022 -4.186 -3.933) 5.834 3.956 ( 1.022 -4.186 3.933) 5.834 4.153 ( 0.099 -2.257 -4.054) 4.641 4.153 ( -0.099 -2.257 4.054) 4.641 4.270 ( -3.657 4.127 -3.525) 6.544 4.270 ( 3.657 4.127 3.525) 6.544 4.487 ( -0.738 6.802 -3.122) 7.521 4.487 ( 0.738 6.802 3.122) 7.521 4.624 ( -5.536 -2.662 -1.042) 6.230 4.624 ( 5.536 -2.662 1.042) 6.230 4.899 ( 3.578 -3.386 -2.583) 5.562 4.899 ( -3.578 -3.386 2.583) 5.562 5.292 ( -0.840 -1.675 -6.221) 6.497 5.292 ( 0.840 -1.675 6.221) 6.497 5.380 ( -0.504 2.280 -7.430) 7.788 5.380 ( 0.504 2.280 7.430) 7.788 5.786 ( 0.020 1.271 -2.121) 2.473 5.786 ( -0.020 1.271 2.121) 2.473 6.046 ( -1.309 0.342 -1.056) 1.717 6.046 ( 1.309 0.342 1.056) 1.717 6.137 ( 2.009 -0.075 -2.804) 3.450 6.137 ( -2.009 -0.075 2.804) 3.450 6.279 ( -5.999 -1.761 -1.081) 6.344 6.279 ( 5.999 -1.761 1.081) 6.344 6.661 ( 1.394 -2.191 -1.006) 2.785 6.661 ( -1.394 -2.191 1.006) 2.785 6.802 ( -5.305 -2.656 -2.200) 6.328 6.802 ( 5.305 -2.656 2.200) 6.328 6.982 ( -1.811 -1.601 -1.595) 2.896 6.982 ( 1.811 -1.601 1.595) 2.896 7.423 ( -5.022 7.029 -3.454) 9.303 7.423 ( 5.022 7.029 3.454) 9.303 7.867 ( -5.558 -2.799 -3.790) 7.287 7.867 ( 5.558 -2.799 3.790) 7.287 8.285 ( -6.919 -4.947 -1.021) 8.567 8.285 ( 6.919 -4.947 1.021) 8.567 8.506 ( -3.435 -0.802 -5.377) 6.431 8.506 ( 3.435 -0.802 5.377) 6.431 10.646 ( -2.739 1.449 -0.018) 3.098 10.646 ( 2.739 1.449 0.018) 3.098 11.024 ( -5.137 -2.561 -0.428) 5.756 11.024 ( 5.137 -2.561 0.428) 5.756 12.106 ( 4.017 5.510 -14.740) 16.241 12.106 ( -4.017 5.510 14.740) 16.241 12.714 ( -1.292 2.289 -0.863) 2.767 12.714 ( 1.292 2.289 0.863) 2.767 14.884 ( 0.708 -0.404 -5.675) 5.733 14.884 ( -0.708 -0.404 5.675) 5.733 15.304 ( -1.920 2.082 -3.817) 4.753 15.304 ( 1.920 2.082 3.817) 4.753 16.150 ( -2.467 2.959 -3.716) 5.353 16.150 ( 2.467 2.959 3.716) 5.353 16.581 ( -4.481 -7.408 -4.688) 9.845 16.581 ( 4.481 -7.408 4.688) 9.845 ======================= Grid point 141 (64/72) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -3.222 10.138 5.252) 11.864 1.103 ( 2.653 7.909 -6.849) 10.794 1.160 ( -0.336 4.065 -13.082) 13.704 1.304 ( 2.216 8.229 4.650) 9.709 1.375 ( -0.620 -0.161 4.397) 4.443 1.443 ( 4.908 2.194 5.175) 7.462 1.628 ( -5.365 7.068 -6.089) 10.762 1.863 ( 2.054 10.111 -2.564) 10.631 2.003 ( -0.120 -0.066 0.587) 0.603 2.049 ( -1.469 -3.386 -0.145) 3.694 2.079 ( -0.045 -1.457 4.477) 4.708 2.232 ( 1.088 -2.642 1.299) 3.139 2.426 ( -0.121 2.470 -2.415) 3.457 2.471 ( -0.129 4.794 -1.283) 4.964 2.758 ( -3.648 -1.574 -0.802) 4.053 2.793 ( -7.643 -1.195 2.124) 8.022 2.879 ( -1.439 3.122 1.956) 3.955 2.931 ( -0.817 3.628 -1.027) 3.858 2.937 ( 0.736 0.720 -0.820) 1.316 2.973 ( 1.739 5.009 -1.544) 5.522 3.142 ( 4.344 3.163 0.337) 5.384 3.179 ( 0.229 -2.502 0.651) 2.595 3.226 ( 0.786 1.125 -5.336) 5.510 3.295 ( 0.619 3.183 1.501) 3.573 3.331 ( -1.019 3.123 -2.865) 4.359 3.400 ( -1.617 0.302 0.803) 1.831 3.469 ( 2.758 3.066 1.701) 4.462 3.556 ( 2.474 -0.606 2.481) 3.556 3.720 ( 3.008 1.187 -1.467) 3.551 3.727 ( -0.466 0.024 4.726) 4.749 3.927 ( -1.535 -4.232 -2.558) 5.178 3.977 ( -0.759 -5.192 2.279) 5.721 4.085 ( -5.489 2.387 -3.724) 7.050 4.121 ( -3.239 -0.086 0.169) 3.245 4.189 ( -2.563 2.980 -3.642) 5.359 4.313 ( -2.079 2.708 2.509) 4.237 4.391 ( -4.738 -0.597 1.087) 4.897 4.432 ( -2.929 0.625 -0.259) 3.006 4.587 ( 1.293 0.596 0.141) 1.431 4.748 ( -1.457 -1.207 2.257) 2.945 4.853 ( 1.555 -4.973 -0.685) 5.255 4.967 ( 3.177 -3.476 -0.287) 4.718 5.183 ( -7.544 1.347 -1.609) 7.830 5.278 ( -1.407 -0.711 0.126) 1.581 5.354 ( 1.613 0.423 -1.254) 2.086 5.418 ( -2.356 -0.337 3.936) 4.600 5.756 ( 0.037 1.867 -0.927) 2.085 5.814 ( 0.613 2.395 -0.704) 2.571 5.999 ( -1.946 -0.181 -1.913) 2.735 6.039 ( -1.656 -0.507 -0.365) 1.770 6.091 ( -3.196 2.970 1.469) 4.604 6.140 ( -5.087 -0.023 -2.571) 5.700 6.242 ( 4.348 -3.002 -0.088) 5.284 6.387 ( 3.539 -4.837 1.713) 6.233 6.590 ( -5.207 -1.745 1.191) 5.619 6.638 ( -0.574 -2.446 2.399) 3.473 6.800 ( 3.935 -1.995 -2.320) 4.985 6.893 ( 2.371 0.500 4.980) 5.538 6.970 ( 1.607 -1.907 -1.343) 2.833 7.041 ( 2.854 -1.837 1.392) 3.668 7.335 ( -2.405 9.049 -2.161) 9.609 7.520 ( 3.706 6.459 2.751) 7.939 7.813 ( -0.102 -3.404 -2.422) 4.179 8.009 ( 1.174 -0.065 0.425) 1.250 8.165 ( 1.233 -9.088 -1.178) 9.247 8.303 ( -2.775 -6.319 -5.669) 8.932 8.524 ( 4.587 1.923 2.099) 5.398 8.665 ( 10.322 -2.538 2.868) 11.009 10.486 ( -9.651 1.119 -0.284) 9.720 10.530 ( -8.995 -0.047 -0.781) 9.029 11.167 ( 13.880 0.117 0.423) 13.887 11.291 ( 17.388 -4.880 -0.044) 18.060 12.003 ( -7.412 5.576 10.329) 13.882 12.101 ( -1.735 3.722 -12.686) 13.334 12.725 ( 2.600 3.049 -1.403) 4.246 12.775 ( 3.664 2.476 2.426) 5.044 14.811 ( -4.207 1.187 1.804) 4.729 14.907 ( -0.671 -1.816 -1.712) 2.585 15.272 ( -0.563 2.720 -0.073) 2.779 15.348 ( 1.260 0.853 5.861) 6.055 16.083 ( -3.060 2.553 -3.370) 5.219 16.195 ( 0.614 1.994 1.874) 2.805 16.433 ( -7.616 -3.892 -6.005) 10.450 16.621 ( -1.609 -6.522 2.381) 7.127 ======================= Grid point 142 (65/72) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 3.404 4.418 3.072) 6.368 1.061 ( -0.872 1.982 -14.461) 14.622 1.171 ( 0.168 3.435 -4.124) 5.370 1.331 ( 0.311 1.530 3.187) 3.549 1.413 ( 3.774 3.163 -2.481) 5.514 1.516 ( 0.452 0.500 1.308) 1.471 1.603 ( 4.890 8.971 3.010) 10.651 1.824 ( -3.129 4.250 -2.285) 5.751 2.006 ( -1.749 -0.707 1.917) 2.690 2.059 ( 0.776 2.960 3.581) 4.711 2.094 ( 1.383 -2.394 -0.511) 2.811 2.209 ( -2.426 -1.641 0.260) 2.940 2.417 ( -1.578 2.975 -1.474) 3.676 2.420 ( -4.796 4.710 -1.114) 6.814 2.667 ( -2.424 1.106 0.803) 2.783 2.739 ( 0.314 0.151 -0.663) 0.749 2.875 ( -0.412 2.853 -1.884) 3.443 2.900 ( 1.204 2.823 2.405) 3.899 2.937 ( -1.213 2.458 0.710) 2.832 3.025 ( 0.440 1.671 -2.595) 3.118 3.116 ( -2.142 -0.163 -3.382) 4.007 3.204 ( -0.505 6.664 3.022) 7.334 3.270 ( 0.219 -0.019 3.949) 3.955 3.276 ( 2.192 2.380 -0.109) 3.237 3.339 ( -1.091 3.651 -4.047) 5.559 3.401 ( 3.576 3.231 -3.716) 6.086 3.562 ( 3.200 4.184 0.272) 5.274 3.586 ( 2.588 0.482 2.823) 3.860 3.653 ( -5.039 0.501 6.558) 8.286 3.833 ( 4.645 1.127 -0.395) 4.796 3.871 ( -3.094 -3.611 0.369) 4.769 3.932 ( -2.682 0.925 4.133) 5.013 3.987 ( -3.337 1.720 -3.794) 5.337 4.032 ( -3.807 1.477 -4.706) 6.230 4.163 ( -2.647 -1.724 -0.035) 3.159 4.210 ( -3.824 -0.188 -0.234) 3.836 4.370 ( 1.025 -0.759 -2.987) 3.248 4.409 ( -0.134 -3.526 0.830) 3.625 4.608 ( -4.641 -1.667 4.228) 6.496 4.627 ( -3.292 -4.014 0.921) 5.273 4.851 ( -4.101 -2.901 -4.119) 6.496 4.975 ( -2.898 -4.863 1.587) 5.879 5.112 ( 1.018 0.392 -1.815) 2.118 5.266 ( 0.164 1.305 -1.612) 2.080 5.331 ( -4.561 -3.258 7.694) 9.519 5.397 ( 1.449 1.004 -2.932) 3.421 5.770 ( 0.627 0.891 -2.955) 3.150 5.814 ( -0.406 4.403 2.166) 4.924 5.966 ( -1.393 0.771 -1.462) 2.162 5.992 ( -5.957 2.477 -0.779) 6.498 6.012 ( -0.641 -0.838 -3.744) 3.890 6.067 ( -0.823 0.881 1.811) 2.176 6.291 ( -0.986 -5.832 2.266) 6.334 6.431 ( 2.161 -5.858 -1.953) 6.542 6.539 ( -0.115 -2.471 1.023) 2.677 6.668 ( 1.742 -3.467 6.781) 7.812 6.852 ( 1.122 -0.425 0.934) 1.521 6.943 ( 2.596 4.003 1.584) 5.027 6.993 ( -0.118 -3.961 -0.574) 4.004 7.090 ( 0.687 1.046 0.469) 1.336 7.371 ( 8.098 8.632 -3.345) 12.299 7.568 ( 0.779 7.094 -0.155) 7.138 7.770 ( -4.304 -1.778 -6.771) 8.218 7.976 ( 0.787 -0.937 1.401) 1.860 8.203 ( -1.152 -7.461 -4.249) 8.663 8.269 ( -1.802 -8.189 4.873) 9.698 8.662 ( 9.299 1.722 1.578) 9.588 8.876 ( 9.566 -3.491 1.135) 10.246 10.322 ( -6.308 0.438 -0.234) 6.327 10.391 ( -5.107 -1.869 -0.948) 5.520 11.421 ( 10.211 2.002 0.257) 10.408 11.623 ( 14.988 -6.689 -0.003) 16.413 11.884 ( -6.101 5.949 7.142) 11.118 12.045 ( -0.128 -0.040 -8.607) 8.608 12.783 ( 3.197 3.821 -3.055) 5.845 12.845 ( 2.557 2.823 3.334) 5.062 14.742 ( -3.020 1.578 2.100) 4.002 14.857 ( -3.586 -1.690 -2.226) 4.546 15.283 ( 1.179 1.909 2.506) 3.364 15.372 ( -0.007 0.020 5.793) 5.793 16.025 ( -2.144 1.860 -2.862) 4.031 16.152 ( -4.679 -0.743 -4.174) 6.314 16.324 ( -1.821 1.641 -2.478) 3.485 16.548 ( -5.514 -3.694 2.009) 6.934 ======================= Grid point 143 (66/72) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.491 1.593 -7.996) 8.168 1.061 ( -3.260 -0.903 -4.890) 5.947 1.171 ( 5.248 3.400 0.231) 6.258 1.330 ( -1.257 -0.297 1.640) 2.087 1.513 ( 6.371 1.510 -4.409) 7.894 1.555 ( 2.512 -0.037 2.674) 3.669 1.703 ( 3.302 8.165 3.025) 9.312 1.768 ( -2.389 3.820 -0.133) 4.508 1.971 ( -1.443 2.228 2.579) 3.701 2.045 ( -2.782 8.910 1.595) 9.469 2.117 ( 1.015 -1.079 -0.325) 1.517 2.175 ( -0.246 -1.335 -0.493) 1.444 2.314 ( -3.599 3.905 -1.816) 5.612 2.370 ( -3.590 1.215 -0.701) 3.854 2.687 ( 3.200 -1.139 1.913) 3.898 2.751 ( 0.691 0.928 -0.310) 1.198 2.865 ( -1.033 0.237 0.365) 1.121 2.880 ( -2.074 1.263 1.250) 2.731 2.942 ( -1.878 3.027 -1.058) 3.716 3.002 ( 0.530 1.235 -2.424) 2.771 3.077 ( -1.302 1.778 -0.812) 2.348 3.181 ( -1.568 6.181 2.108) 6.716 3.255 ( -0.885 3.069 -3.936) 5.068 3.303 ( -0.035 5.384 3.199) 6.262 3.365 ( 3.906 1.490 1.955) 4.615 3.459 ( 1.521 0.430 -3.764) 4.083 3.553 ( -0.628 -0.024 -1.262) 1.410 3.580 ( -2.676 -1.157 6.077) 6.740 3.706 ( 5.095 3.645 -1.589) 6.463 3.795 ( -2.830 0.581 2.800) 4.024 3.895 ( -2.501 1.264 -1.231) 3.061 3.907 ( 0.579 2.603 0.977) 2.839 3.954 ( 2.493 0.743 3.651) 4.483 3.988 ( -0.725 -0.624 -4.201) 4.309 4.077 ( -3.491 -1.426 -2.050) 4.292 4.169 ( -3.151 -0.918 0.239) 3.291 4.411 ( 1.786 -0.463 -2.110) 2.803 4.427 ( 3.066 -6.257 -1.271) 7.083 4.487 ( -2.310 1.540 1.447) 3.130 4.622 ( -0.805 -5.734 3.478) 6.755 4.737 ( -5.344 -2.314 -2.192) 6.223 4.854 ( -9.181 -4.180 -0.358) 10.095 5.157 ( 3.236 -0.452 -1.273) 3.507 5.257 ( -2.089 -1.974 4.340) 5.206 5.296 ( 1.092 1.115 -1.202) 1.970 5.399 ( -1.574 1.023 -0.704) 2.005 5.757 ( -0.265 -0.608 -2.954) 3.027 5.804 ( -1.999 0.665 2.378) 3.177 5.910 ( -0.941 6.143 1.280) 6.345 5.949 ( -0.184 2.261 -2.314) 3.240 6.008 ( 0.666 -1.160 -4.205) 4.412 6.074 ( -0.812 -2.153 3.779) 4.424 6.273 ( 1.370 -4.918 -1.160) 5.236 6.428 ( -2.556 -7.183 0.939) 7.682 6.589 ( 4.325 -4.900 -3.116) 7.241 6.695 ( -1.076 -4.788 8.799) 10.075 6.865 ( 0.356 2.099 3.600) 4.182 6.949 ( -2.545 0.514 -0.007) 2.597 7.012 ( 2.767 2.125 -3.233) 4.757 7.073 ( -1.435 2.526 0.925) 3.049 7.565 ( 0.156 6.301 -2.476) 6.772 7.598 ( 12.431 6.036 -4.699) 14.596 7.672 ( -2.092 0.673 -5.829) 6.229 8.010 ( -0.874 -3.703 7.865) 8.737 8.164 ( -2.617 -5.521 -1.326) 6.252 8.192 ( -4.144 -5.663 0.330) 7.025 8.853 ( 8.891 0.134 0.936) 8.941 9.005 ( 2.890 -2.685 0.498) 3.976 10.249 ( -1.351 -1.357 0.791) 2.072 10.311 ( -3.088 -3.008 -1.461) 4.552 11.554 ( 4.331 3.999 -0.859) 5.957 11.723 ( -4.956 0.552 3.547) 6.119 11.925 ( 9.482 -0.880 -1.259) 9.606 12.070 ( 2.181 -3.699 -1.797) 4.655 12.832 ( 2.513 3.841 -3.321) 5.666 12.880 ( 0.193 2.956 3.201) 4.361 14.708 ( -0.732 0.900 1.929) 2.251 14.779 ( -3.531 -0.997 -2.004) 4.181 15.317 ( 1.616 0.925 2.279) 2.943 15.371 ( -0.960 -0.160 3.514) 3.646 15.992 ( -0.730 1.331 -0.882) 1.756 16.051 ( -3.667 0.171 -5.672) 6.757 16.318 ( 0.960 1.579 -0.474) 1.908 16.440 ( -5.373 -1.441 1.651) 5.803 ======================= Grid point 144 (67/72) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 2.114 1.174 -2.543) 3.509 0.972 ( -2.114 1.174 2.543) 3.509 1.280 ( -0.999 -0.017 -2.311) 2.518 1.280 ( 0.999 -0.017 2.311) 2.518 1.588 ( 0.544 -1.619 -2.828) 3.304 1.588 ( -0.544 -1.619 2.828) 3.304 1.734 ( 0.838 8.204 -3.274) 8.872 1.734 ( -0.838 8.204 3.274) 8.872 1.984 ( -0.915 7.327 -2.739) 7.876 1.984 ( 0.915 7.327 2.739) 7.876 2.157 ( -1.237 -0.587 -4.361) 4.571 2.157 ( 1.237 -0.587 4.361) 4.571 2.299 ( -2.323 2.636 0.212) 3.520 2.299 ( 2.323 2.636 -0.212) 3.520 2.745 ( -1.373 -1.032 -2.054) 2.678 2.745 ( 1.373 -1.032 2.054) 2.678 2.870 ( -1.190 0.465 -0.588) 1.407 2.870 ( 1.190 0.465 0.588) 1.407 2.922 ( -2.002 0.229 -2.647) 3.327 2.922 ( 2.002 0.229 2.647) 3.327 3.137 ( -3.066 5.171 -4.645) 7.598 3.137 ( 3.066 5.171 4.645) 7.598 3.273 ( 2.129 3.930 -4.030) 6.019 3.273 ( -2.129 3.930 4.030) 6.019 3.440 ( -2.502 0.696 -2.195) 3.400 3.440 ( 2.502 0.696 2.195) 3.400 3.555 ( 0.542 -1.242 -3.764) 4.001 3.555 ( -0.542 -1.242 3.764) 4.001 3.759 ( 1.111 2.179 -3.887) 4.592 3.759 ( -1.111 2.179 3.887) 4.592 3.890 ( 1.358 1.187 -1.902) 2.621 3.890 ( -1.358 1.187 1.902) 2.621 3.989 ( 1.511 -0.603 -5.161) 5.411 3.989 ( -1.511 -0.603 5.161) 5.411 4.080 ( 4.993 0.231 -5.082) 7.128 4.080 ( -4.993 0.231 5.082) 7.128 4.425 ( 0.001 -1.108 -1.740) 2.063 4.425 ( -0.001 -1.108 1.740) 2.063 4.598 ( -1.304 -3.473 -2.085) 4.256 4.598 ( 1.304 -3.473 2.085) 4.256 4.682 ( -3.452 -2.766 -1.771) 4.765 4.682 ( 3.452 -2.766 1.771) 4.765 5.216 ( 2.263 -1.874 -2.644) 3.953 5.216 ( -2.263 -1.874 2.644) 3.953 5.342 ( 1.246 2.098 -2.055) 3.190 5.342 ( -1.246 2.098 2.055) 3.190 5.767 ( 1.557 -0.917 -2.282) 2.911 5.767 ( -1.557 -0.917 2.282) 2.911 5.929 ( -1.221 4.441 -3.511) 5.791 5.929 ( 1.221 4.441 3.511) 5.791 6.035 ( 2.005 -1.953 -4.451) 5.258 6.035 ( -2.005 -1.953 4.451) 5.258 6.349 ( 2.097 -6.537 -3.789) 7.841 6.349 ( -2.097 -6.537 3.789) 7.841 6.661 ( 3.688 -5.524 -6.781) 9.492 6.661 ( -3.688 -5.524 6.781) 9.492 6.895 ( -1.869 2.069 -2.780) 3.937 6.895 ( 1.869 2.069 2.780) 3.937 7.049 ( 1.130 2.664 -7.730) 8.254 7.049 ( -1.130 2.664 7.730) 8.254 7.587 ( 0.403 5.526 -5.634) 7.902 7.587 ( -0.403 5.526 5.634) 7.902 7.876 ( 8.641 -0.981 -11.430) 14.363 7.876 ( -8.641 -0.981 11.430) 14.363 8.149 ( -1.337 -5.388 -1.134) 5.666 8.149 ( 1.337 -5.388 1.134) 5.666 8.989 ( -2.379 -0.991 -2.039) 3.287 8.989 ( 2.379 -0.991 2.039) 3.287 10.259 ( -1.435 -2.870 -2.009) 3.786 10.259 ( 1.435 -2.870 2.009) 3.786 11.630 ( 1.577 3.553 -1.665) 4.228 11.630 ( -1.577 3.553 1.665) 4.228 12.061 ( 0.112 -3.553 -3.875) 5.258 12.061 ( -0.112 -3.553 3.875) 5.258 12.868 ( 1.372 3.278 -4.587) 5.802 12.868 ( -1.372 3.278 4.587) 5.802 14.722 ( -1.494 -0.118 -2.149) 2.620 14.722 ( 1.494 -0.118 2.149) 2.620 15.350 ( 0.147 0.232 -3.074) 3.086 15.350 ( -0.147 0.232 3.074) 3.086 15.996 ( -1.106 0.925 -2.579) 2.955 15.996 ( 1.106 0.925 2.579) 2.955 16.357 ( -1.098 0.180 0.045) 1.113 16.357 ( 1.098 0.180 -0.045) 1.113 ======================= Grid point 149 (68/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -5.227 6.694 -3.171) 9.065 1.193 ( 5.227 6.694 3.171) 9.065 1.286 ( -4.746 -1.746 -9.173) 10.475 1.286 ( 4.746 -1.746 9.173) 10.475 1.471 ( -1.040 4.976 -1.873) 5.418 1.471 ( 1.040 4.976 1.873) 5.418 1.825 ( -3.701 -0.665 -4.712) 6.028 1.825 ( 3.701 -0.665 4.712) 6.028 1.999 ( -1.516 -1.606 -2.737) 3.517 1.999 ( 1.516 -1.606 2.737) 3.517 2.247 ( -5.879 7.125 -1.163) 9.311 2.247 ( 5.879 7.125 1.163) 9.311 2.399 ( -4.426 -4.086 -0.902) 6.091 2.399 ( 4.426 -4.086 0.902) 6.091 2.838 ( -0.228 -0.592 -0.981) 1.169 2.838 ( 0.228 -0.592 0.981) 1.169 2.931 ( 0.634 2.356 -1.368) 2.797 2.931 ( -0.634 2.356 1.368) 2.797 3.060 ( -1.334 -0.925 -1.868) 2.475 3.060 ( 1.334 -0.925 1.868) 2.475 3.102 ( -0.881 4.646 -3.486) 5.875 3.102 ( 0.881 4.646 3.486) 5.875 3.218 ( -4.366 -5.413 -5.769) 9.036 3.218 ( 4.366 -5.413 5.769) 9.036 3.420 ( -0.832 0.904 -1.921) 2.281 3.420 ( 0.832 0.904 1.921) 2.281 3.540 ( -2.753 4.226 -0.365) 5.057 3.540 ( 2.753 4.226 0.365) 5.057 3.747 ( -0.872 3.405 -3.912) 5.260 3.747 ( 0.872 3.405 3.912) 5.260 3.852 ( -1.270 -5.341 -4.665) 7.204 3.852 ( 1.270 -5.341 4.665) 7.204 4.116 ( -0.075 -1.040 -2.337) 2.559 4.116 ( 0.075 -1.040 2.337) 2.559 4.358 ( -1.198 4.207 -2.733) 5.158 4.358 ( 1.198 4.207 2.733) 5.158 4.479 ( -0.748 -5.035 -2.040) 5.484 4.479 ( 0.748 -5.035 2.040) 5.484 4.684 ( -1.644 6.594 -2.255) 7.160 4.684 ( 1.644 6.594 2.255) 7.160 4.826 ( 1.154 -4.334 -2.440) 5.106 4.826 ( -1.154 -4.334 2.440) 5.106 5.273 ( 0.138 0.223 -5.447) 5.453 5.273 ( -0.138 0.223 5.447) 5.453 5.384 ( -0.208 -1.393 -6.563) 6.713 5.384 ( 0.208 -1.393 6.563) 6.713 5.814 ( 1.019 1.299 -1.886) 2.506 5.814 ( -1.019 1.299 1.886) 2.506 6.063 ( -1.490 0.956 -1.671) 2.434 6.063 ( 1.490 0.956 1.671) 2.434 6.120 ( -3.190 -1.262 -1.387) 3.700 6.120 ( 3.190 -1.262 1.387) 3.700 6.242 ( -2.371 -1.231 -0.067) 2.672 6.242 ( 2.371 -1.231 0.067) 2.672 6.652 ( -2.927 1.181 0.036) 3.157 6.652 ( 2.927 1.181 -0.036) 3.157 6.734 ( -3.887 -3.320 -1.305) 5.276 6.734 ( 3.887 -3.320 1.305) 5.276 6.972 ( -0.936 0.132 -0.766) 1.216 6.972 ( 0.936 0.132 0.766) 1.216 7.573 ( -3.308 6.777 -3.324) 8.241 7.573 ( 3.308 6.777 3.324) 8.241 7.781 ( -4.159 -5.158 -4.033) 7.757 7.781 ( 4.159 -5.158 4.033) 7.757 8.181 ( -2.333 -3.143 -0.764) 3.988 8.181 ( 2.333 -3.143 0.764) 3.988 8.529 ( -0.622 1.221 -0.901) 1.640 8.529 ( 0.622 1.221 0.901) 1.640 10.666 ( -1.137 0.455 0.057) 1.226 10.666 ( 1.137 0.455 -0.057) 1.226 10.985 ( -1.665 -1.068 -0.248) 1.993 10.985 ( 1.665 -1.068 0.248) 1.993 12.183 ( 1.447 1.914 -5.485) 5.987 12.183 ( -1.447 1.914 5.485) 5.987 12.747 ( -0.450 0.837 -0.348) 1.012 12.747 ( 0.450 0.837 0.348) 1.012 14.885 ( 0.344 0.217 -2.284) 2.319 14.885 ( -0.344 0.217 2.284) 2.319 15.330 ( -0.696 0.573 -1.356) 1.629 15.330 ( 0.696 0.573 1.356) 1.629 16.211 ( -1.561 2.297 -2.222) 3.557 16.211 ( 1.561 2.297 2.222) 3.557 16.458 ( -2.192 -3.870 -2.813) 5.263 16.458 ( 2.192 -3.870 2.813) 5.263 ======================= Grid point 151 (69/72) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -5.197 5.976 -3.271) 8.569 1.151 ( -5.185 -2.037 -10.448) 11.841 1.280 ( 1.379 6.161 2.588) 6.823 1.363 ( 0.393 -1.856 6.241) 6.522 1.461 ( 0.932 6.214 -0.314) 6.291 1.500 ( 1.244 2.034 3.321) 4.088 1.756 ( -1.334 5.700 -4.380) 7.311 1.888 ( 2.197 -7.124 -1.889) 7.691 1.985 ( -2.447 2.485 3.497) 4.939 2.034 ( -1.363 -2.418 5.840) 6.466 2.070 ( -4.439 2.754 0.030) 5.224 2.159 ( -5.170 -5.250 -1.469) 7.513 2.490 ( 4.916 3.868 -3.526) 7.180 2.532 ( 3.590 0.811 -3.298) 4.942 2.759 ( -3.780 1.421 0.304) 4.049 2.779 ( -3.452 -0.200 0.906) 3.575 2.941 ( -0.446 2.689 1.876) 3.309 2.961 ( 1.819 0.978 2.017) 2.887 3.020 ( -0.887 3.913 -2.760) 4.870 3.054 ( 1.451 2.557 -2.329) 3.751 3.115 ( 1.038 -2.968 1.352) 3.423 3.144 ( -0.516 -2.996 -4.029) 5.047 3.259 ( 7.966 3.296 -3.368) 9.256 3.331 ( 4.217 -1.462 3.619) 5.746 3.403 ( -0.886 2.225 -0.308) 2.415 3.464 ( -2.132 -0.065 1.544) 2.633 3.484 ( 3.389 5.206 1.704) 6.441 3.574 ( 1.486 -0.834 -0.647) 1.822 3.737 ( -0.242 1.401 -0.565) 1.530 3.778 ( 1.652 5.207 3.663) 6.577 3.813 ( -1.629 -5.519 -2.479) 6.265 3.886 ( 1.091 -4.331 3.451) 5.644 4.088 ( -2.010 -0.186 -2.821) 3.469 4.100 ( -1.901 -1.177 0.840) 2.388 4.271 ( -5.592 3.809 -1.371) 6.904 4.336 ( -7.581 -2.094 1.200) 7.956 4.394 ( -1.428 2.056 -0.833) 2.638 4.434 ( -7.118 -0.979 -2.019) 7.463 4.614 ( 0.053 2.500 1.203) 2.775 4.692 ( -5.746 -4.099 2.596) 7.520 4.819 ( 2.683 1.891 -1.115) 3.466 4.889 ( 1.482 -4.024 -0.590) 4.329 5.236 ( -5.452 3.853 5.310) 8.530 5.281 ( 0.883 0.973 -1.025) 1.667 5.331 ( -2.344 -2.183 1.966) 3.759 5.365 ( -1.429 -4.088 -5.247) 6.804 5.798 ( -0.152 2.413 1.443) 2.816 5.840 ( 0.737 -0.713 1.549) 1.857 6.007 ( -1.760 1.826 -3.566) 4.376 6.046 ( -3.548 -0.488 -1.489) 3.879 6.126 ( 1.013 1.221 -2.414) 2.889 6.170 ( -1.213 3.336 2.300) 4.229 6.180 ( -1.209 -2.664 0.190) 2.932 6.271 ( 1.153 -5.924 1.318) 6.177 6.574 ( -3.767 0.937 0.504) 3.915 6.609 ( -3.035 -1.575 1.696) 3.817 6.784 ( 5.460 0.863 -2.629) 6.121 6.837 ( 5.149 -3.889 -0.665) 6.487 6.980 ( 1.449 1.919 2.536) 3.495 7.016 ( 3.031 -1.380 2.927) 4.434 7.516 ( -1.181 8.039 -3.838) 8.986 7.626 ( 1.337 0.125 -2.806) 3.111 7.771 ( 2.884 2.941 2.209) 4.674 7.924 ( 7.643 -8.547 5.124) 12.559 8.078 ( -5.842 1.621 -4.129) 7.335 8.164 ( -2.943 -6.257 -2.994) 7.535 8.580 ( 5.439 2.949 1.395) 6.343 8.628 ( 7.642 -1.714 1.458) 7.967 10.507 ( -9.937 0.924 -0.419) 9.989 10.523 ( -9.883 -0.588 -0.719) 9.926 11.174 ( 14.764 0.804 1.048) 14.823 11.210 ( 15.672 -2.879 1.252) 15.983 12.100 ( -6.341 3.574 2.789) 7.795 12.139 ( -4.434 -0.074 -4.488) 6.309 12.779 ( 3.451 1.988 -0.799) 4.062 12.800 ( 3.886 0.022 0.557) 3.926 14.844 ( -3.001 1.740 0.023) 3.469 14.876 ( -1.731 -1.428 -1.449) 2.671 15.320 ( -0.332 1.865 1.809) 2.620 15.347 ( 0.387 -0.779 3.919) 4.014 16.144 ( -3.725 3.248 -3.002) 5.782 16.203 ( -2.890 -1.720 -1.569) 3.711 16.407 ( -1.701 1.915 -0.892) 2.712 16.492 ( -0.053 -5.694 1.747) 5.956 ======================= Grid point 152 (70/72) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.169 3.006 -4.047) 5.175 1.055 ( -1.955 -1.890 -8.742) 9.155 1.274 ( -1.633 5.292 -0.827) 5.599 1.345 ( -1.755 -1.042 2.396) 3.148 1.498 ( 1.988 3.510 -0.353) 4.049 1.519 ( 0.525 0.552 2.195) 2.323 1.778 ( 3.429 7.480 0.735) 8.262 1.869 ( -2.641 0.676 0.152) 2.731 1.948 ( 0.045 -3.465 -0.076) 3.466 1.981 ( -0.399 -6.564 0.693) 6.613 2.093 ( 2.270 1.311 3.813) 4.627 2.145 ( 1.111 -3.629 2.185) 4.379 2.481 ( -3.324 2.502 -3.420) 5.385 2.496 ( -4.615 1.499 -2.584) 5.497 2.713 ( -1.804 2.707 -0.368) 3.274 2.748 ( -0.678 -0.270 -1.291) 1.483 2.944 ( -1.719 3.211 0.162) 3.646 2.978 ( -0.974 0.488 1.437) 1.803 3.004 ( 0.639 5.751 1.835) 6.070 3.073 ( -2.766 1.086 -3.430) 4.538 3.116 ( 3.335 1.686 -1.917) 4.200 3.204 ( 4.584 -4.487 -0.059) 6.415 3.320 ( -0.315 4.703 0.649) 4.758 3.365 ( -0.659 3.998 3.253) 5.197 3.401 ( -0.658 0.529 -3.637) 3.733 3.434 ( 2.034 -0.678 -1.552) 2.647 3.590 ( 1.645 0.802 2.101) 2.786 3.610 ( 1.545 -0.228 2.019) 2.552 3.712 ( -0.531 3.488 0.699) 3.597 3.781 ( -0.458 -4.183 -1.813) 4.582 3.844 ( 3.977 2.694 2.210) 5.288 3.917 ( 1.674 -2.623 2.258) 3.845 4.031 ( -2.802 1.834 -0.943) 3.479 4.063 ( -1.842 -0.494 -1.623) 2.505 4.136 ( -7.758 1.623 1.847) 8.138 4.184 ( -6.012 -1.965 -0.764) 6.371 4.329 ( -2.524 -1.324 -1.355) 3.156 4.359 ( -1.338 -2.877 -2.295) 3.916 4.594 ( -3.912 0.571 0.959) 4.068 4.605 ( -1.660 0.362 1.123) 2.037 4.810 ( -3.429 0.019 -2.058) 3.999 4.870 ( -3.492 -4.939 -0.256) 6.054 5.156 ( -2.285 3.542 5.511) 6.939 5.241 ( -4.846 -4.423 9.958) 11.925 5.315 ( 2.293 2.951 -6.727) 7.695 5.381 ( 2.199 -2.669 -6.199) 7.098 5.790 ( -1.196 1.846 -1.053) 2.438 5.838 ( -1.950 -1.927 2.351) 3.612 5.971 ( -1.355 0.696 -2.892) 3.268 5.983 ( -2.300 -0.452 -1.255) 2.659 6.076 ( -3.396 2.884 -0.458) 4.479 6.108 ( -2.515 1.159 2.152) 3.507 6.208 ( 0.786 -0.219 0.155) 0.831 6.298 ( 0.992 -6.539 -0.975) 6.685 6.526 ( -1.037 1.708 1.420) 2.451 6.592 ( -0.089 -3.923 5.585) 6.826 6.863 ( 2.658 1.512 -1.068) 3.239 6.912 ( 2.086 -3.182 -1.167) 3.980 7.033 ( 3.405 3.902 1.759) 5.469 7.091 ( 3.367 -1.427 0.707) 3.725 7.527 ( 3.549 6.362 -3.660) 8.152 7.629 ( 0.322 -2.842 -6.462) 7.066 7.826 ( 0.758 8.557 3.066) 9.121 7.976 ( -2.577 -0.536 -1.544) 3.052 8.049 ( 2.644 -5.908 2.283) 6.864 8.102 ( -2.463 -7.158 -0.024) 7.570 8.720 ( 8.148 3.539 1.090) 8.950 8.798 ( 8.589 -3.894 0.931) 9.476 10.337 ( -6.929 0.940 -0.421) 7.005 10.360 ( -6.472 -1.246 -0.542) 6.614 11.453 ( 12.049 1.689 1.442) 12.252 11.510 ( 13.117 -4.084 1.816) 13.858 11.989 ( -4.436 4.018 1.460) 6.161 12.041 ( -3.373 -1.022 -4.408) 5.644 12.847 ( 3.241 2.341 -1.469) 4.260 12.873 ( 2.951 -0.048 0.969) 3.106 14.780 ( -3.137 2.049 -0.021) 3.747 14.821 ( -3.262 -1.843 -1.606) 4.076 15.325 ( 0.274 1.964 3.385) 3.923 15.359 ( -0.121 -1.234 4.630) 4.793 16.069 ( -3.025 2.402 -3.194) 5.012 16.119 ( -4.187 -2.250 -4.085) 6.268 16.380 ( -1.313 3.582 0.265) 3.824 16.463 ( -2.890 -4.346 1.343) 5.389 ======================= Grid point 153 (71/72) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.212 2.253 -6.265) 6.661 1.029 ( -0.787 -2.158 -5.021) 5.521 1.255 ( 0.916 4.383 -0.561) 4.513 1.323 ( -1.216 -1.553 2.275) 3.011 1.524 ( 1.292 0.493 -0.273) 1.409 1.546 ( 1.164 -0.938 0.772) 1.682 1.849 ( 2.884 5.989 0.598) 6.674 1.867 ( 1.946 5.270 1.032) 5.712 1.960 ( 2.003 -1.817 2.479) 3.669 2.021 ( 2.258 -6.852 -0.917) 7.272 2.144 ( 1.933 1.213 2.702) 3.537 2.164 ( 0.130 -0.162 1.006) 1.027 2.397 ( -4.075 2.415 -1.455) 4.955 2.400 ( -3.828 1.381 -1.824) 4.459 2.695 ( 0.595 2.077 0.494) 2.216 2.743 ( 0.795 -1.857 0.292) 2.041 2.882 ( -5.136 2.322 -0.275) 5.643 2.922 ( -4.050 0.263 -0.469) 4.085 2.981 ( -2.385 1.156 -2.209) 3.450 2.998 ( -3.484 -1.073 -2.537) 4.441 3.181 ( 3.019 6.529 3.821) 8.146 3.265 ( 0.727 -0.520 2.614) 2.763 3.332 ( 1.496 4.376 -0.551) 4.657 3.388 ( 2.075 -0.771 -0.942) 2.406 3.390 ( 1.127 3.206 -0.567) 3.445 3.452 ( -0.468 -0.588 -3.961) 4.032 3.553 ( -3.237 0.202 0.066) 3.244 3.566 ( -3.529 -0.395 2.294) 4.227 3.761 ( 2.432 1.844 0.231) 3.060 3.789 ( 0.512 -0.864 1.556) 1.852 3.910 ( 1.073 0.875 2.480) 2.840 3.930 ( -2.416 -0.172 -1.684) 2.949 3.989 ( -1.882 2.482 -1.545) 3.477 4.015 ( 0.103 2.724 2.475) 3.682 4.050 ( -1.076 -1.262 -0.665) 1.787 4.105 ( -2.115 -5.084 0.113) 5.507 4.335 ( 3.028 -1.479 -2.448) 4.165 4.364 ( 2.602 -3.116 -3.076) 5.093 4.548 ( -0.563 3.109 0.898) 3.285 4.577 ( -1.277 0.136 2.936) 3.204 4.705 ( -5.752 -0.134 -1.511) 5.949 4.760 ( -7.133 -4.644 -0.336) 8.518 5.160 ( 0.868 0.807 3.330) 3.535 5.196 ( -1.702 -2.772 6.008) 6.832 5.349 ( 2.359 3.132 -4.930) 6.299 5.400 ( 0.437 -1.284 -2.949) 3.246 5.755 ( -1.477 0.598 -1.556) 2.227 5.783 ( -3.013 -1.789 0.821) 3.599 5.939 ( -1.584 -0.468 0.979) 1.920 5.947 ( -1.070 -1.142 -1.290) 2.028 6.041 ( -0.376 2.248 -1.236) 2.592 6.079 ( -1.609 -0.509 2.898) 3.353 6.220 ( 1.514 1.286 -1.954) 2.786 6.296 ( -0.906 -5.113 -1.291) 5.351 6.536 ( 1.496 0.398 0.052) 1.549 6.597 ( -1.262 -4.534 7.497) 8.852 6.892 ( 0.693 1.090 0.728) 1.482 6.920 ( -0.620 -1.712 0.375) 1.859 7.098 ( 2.685 3.844 -2.760) 5.441 7.126 ( 0.490 1.247 -0.459) 1.416 7.636 ( 2.965 1.303 -3.936) 5.097 7.641 ( 6.983 0.118 -5.134) 8.668 7.805 ( -2.491 8.851 1.909) 9.391 7.937 ( -2.997 -3.604 3.476) 5.835 8.060 ( -0.669 -3.646 -0.634) 3.761 8.071 ( -1.038 -5.095 1.226) 5.343 8.877 ( 6.899 2.131 0.757) 7.260 8.937 ( 4.728 -3.474 0.517) 5.890 10.241 ( -2.887 0.444 -0.076) 2.922 10.263 ( -3.435 -1.706 -0.550) 3.874 11.615 ( 4.274 2.348 0.887) 4.956 11.671 ( 2.293 -3.378 1.958) 4.528 11.972 ( 2.857 3.162 -0.349) 4.276 12.021 ( 1.506 -1.763 -2.399) 3.336 12.893 ( 1.707 2.020 -1.473) 3.027 12.912 ( 0.767 0.232 1.103) 1.363 14.731 ( -1.664 1.279 0.172) 2.105 14.757 ( -2.663 -1.151 -1.116) 3.108 15.340 ( 0.589 1.169 2.530) 2.848 15.361 ( -0.421 -0.805 3.185) 3.312 16.020 ( -1.407 1.313 -1.826) 2.653 16.043 ( -2.506 -0.847 -3.688) 4.539 16.357 ( -0.816 2.106 0.260) 2.273 16.402 ( -3.114 -2.166 0.938) 3.908 ======================= Grid point 154 (72/72) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.844 0.733 -1.277) 1.697 0.994 ( -0.844 0.733 1.277) 1.697 1.294 ( 1.132 0.806 -1.920) 2.370 1.294 ( -1.132 0.806 1.920) 2.370 1.549 ( -0.177 -1.595 -1.119) 1.956 1.549 ( 0.177 -1.595 1.119) 1.956 1.891 ( 0.983 7.077 -3.041) 7.765 1.891 ( -0.983 7.077 3.041) 7.765 2.018 ( -2.049 -3.995 -1.406) 4.705 2.018 ( 2.049 -3.995 1.406) 4.705 2.165 ( 0.085 1.715 -2.706) 3.205 2.165 ( -0.085 1.715 2.706) 3.205 2.354 ( 0.197 1.452 -0.247) 1.486 2.354 ( -0.197 1.452 0.247) 1.486 2.744 ( -3.356 1.478 -2.011) 4.182 2.744 ( 3.356 1.478 2.011) 4.182 2.828 ( -3.540 -3.128 -3.127) 5.665 2.828 ( 3.540 -3.128 3.127) 5.665 2.955 ( 0.072 1.405 -0.663) 1.555 2.955 ( -0.072 1.405 0.663) 1.555 3.246 ( -2.237 4.419 -4.411) 6.633 3.246 ( 2.237 4.419 4.411) 6.633 3.381 ( -1.337 2.827 -6.337) 7.067 3.381 ( 1.337 2.827 6.337) 7.067 3.417 ( -0.335 -0.118 -1.621) 1.659 3.417 ( 0.335 -0.118 1.621) 1.659 3.528 ( 0.605 -1.567 -0.945) 1.927 3.528 ( -0.605 -1.567 0.945) 1.927 3.794 ( 0.095 1.147 -3.445) 3.632 3.794 ( -0.095 1.147 3.445) 3.632 3.888 ( -0.847 -0.866 -0.473) 1.300 3.888 ( 0.847 -0.866 0.473) 1.300 3.998 ( 1.542 1.997 -2.745) 3.728 3.998 ( -1.542 1.997 2.745) 3.728 4.077 ( 1.909 -1.885 -3.015) 4.036 4.077 ( -1.909 -1.885 3.015) 4.036 4.390 ( 1.721 -0.690 -1.742) 2.544 4.390 ( -1.721 -0.690 1.742) 2.544 4.575 ( 0.272 -0.024 -2.351) 2.366 4.575 ( -0.272 -0.024 2.351) 2.366 4.636 ( -2.101 -1.450 -0.834) 2.686 4.636 ( 2.101 -1.450 0.834) 2.686 5.181 ( 0.761 -1.234 -1.318) 1.959 5.181 ( -0.761 -1.234 1.318) 1.959 5.385 ( 1.422 1.563 -1.364) 2.515 5.385 ( -1.422 1.563 1.364) 2.515 5.745 ( 0.681 -0.794 -0.978) 1.432 5.745 ( -0.681 -0.794 0.978) 1.432 5.930 ( -0.391 -1.118 -1.416) 1.846 5.930 ( 0.391 -1.118 1.416) 1.846 6.049 ( 0.936 0.015 -3.462) 3.587 6.049 ( -0.936 0.015 3.462) 3.587 6.261 ( 0.634 -1.077 -3.066) 3.311 6.261 ( -0.634 -1.077 3.066) 3.311 6.571 ( 2.270 -2.752 -4.851) 6.021 6.571 ( -2.270 -2.752 4.851) 6.021 6.905 ( -0.429 -0.135 -0.472) 0.652 6.905 ( 0.429 -0.135 0.472) 0.652 7.124 ( 0.693 2.827 -4.207) 5.115 7.124 ( -0.693 2.827 4.207) 5.115 7.692 ( 1.628 3.911 -3.092) 5.245 7.692 ( -1.628 3.911 3.092) 5.245 7.840 ( 3.013 -2.045 -6.230) 7.216 7.840 ( -3.013 -2.045 6.230) 7.216 8.057 ( -0.414 -2.827 -0.140) 2.861 8.057 ( 0.414 -2.827 0.140) 2.861 8.968 ( -1.000 -0.731 -0.808) 1.479 8.968 ( 1.000 -0.731 0.808) 1.479 10.221 ( -0.561 -0.903 -0.499) 1.174 10.221 ( 0.561 -0.903 0.499) 1.174 11.665 ( -0.936 0.342 0.227) 1.022 11.665 ( 0.936 0.342 -0.227) 1.021 12.031 ( -0.855 -0.119 -0.919) 1.261 12.031 ( 0.855 -0.119 0.919) 1.261 12.913 ( 0.577 1.064 -1.675) 2.066 12.913 ( -0.577 1.064 1.675) 2.066 14.721 ( -0.541 0.038 -0.679) 0.869 14.721 ( 0.541 0.038 0.679) 0.869 15.355 ( 0.084 0.125 -0.745) 0.760 15.355 ( -0.084 0.125 0.745) 0.760 16.009 ( -0.446 0.320 -1.061) 1.194 16.009 ( 0.446 0.320 1.061) 1.194 16.359 ( -0.599 0.015 0.031) 0.600 16.359 ( 0.599 0.015 -0.031) 0.600 =================== 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 3/18816 10.0 115.166 123.659 107.321 0.000 -9.279 0.000 3/18816 20.0 22.563 26.169 26.108 0.000 -2.323 0.000 3/18816 30.0 9.029 10.417 10.807 0.000 -0.916 0.000 3/18816 40.0 4.980 5.742 6.069 0.000 -0.456 0.000 3/18816 50.0 3.289 3.801 4.058 0.000 -0.268 0.000 3/18816 60.0 2.421 2.803 3.012 0.000 -0.177 0.000 3/18816 70.0 1.911 2.213 2.388 0.000 -0.128 0.000 3/18816 80.0 1.581 1.830 1.980 0.000 -0.098 0.000 3/18816 90.0 1.353 1.562 1.694 0.000 -0.079 0.000 3/18816 100.0 1.186 1.366 1.483 0.000 -0.066 0.000 3/18816 110.0 1.058 1.215 1.322 0.000 -0.057 0.000 3/18816 120.0 0.958 1.096 1.193 0.000 -0.050 0.000 3/18816 130.0 0.877 0.999 1.089 0.000 -0.045 0.000 3/18816 140.0 0.809 0.919 1.003 0.000 -0.041 0.000 3/18816 150.0 0.753 0.851 0.930 0.000 -0.037 0.000 3/18816 160.0 0.704 0.793 0.868 0.000 -0.034 0.000 3/18816 170.0 0.662 0.743 0.814 0.000 -0.032 0.000 3/18816 180.0 0.624 0.699 0.767 0.000 -0.030 0.000 3/18816 190.0 0.591 0.661 0.725 0.000 -0.028 0.000 3/18816 200.0 0.562 0.626 0.688 0.000 -0.026 0.000 3/18816 210.0 0.535 0.595 0.655 0.000 -0.025 0.000 3/18816 220.0 0.511 0.567 0.624 0.000 -0.023 0.000 3/18816 230.0 0.490 0.542 0.597 0.000 -0.022 0.000 3/18816 240.0 0.470 0.519 0.572 0.000 -0.021 0.000 3/18816 250.0 0.451 0.497 0.549 0.000 -0.020 0.000 3/18816 260.0 0.434 0.478 0.528 0.000 -0.019 0.000 3/18816 270.0 0.418 0.460 0.508 0.000 -0.019 0.000 3/18816 280.0 0.404 0.443 0.490 0.000 -0.018 0.000 3/18816 290.0 0.390 0.428 0.473 0.000 -0.017 0.000 3/18816 300.0 0.377 0.413 0.458 0.000 -0.017 0.000 3/18816 310.0 0.366 0.400 0.443 0.000 -0.016 0.000 3/18816 320.0 0.354 0.387 0.429 0.000 -0.015 0.000 3/18816 330.0 0.344 0.375 0.416 0.000 -0.015 0.000 3/18816 340.0 0.334 0.364 0.404 0.000 -0.014 0.000 3/18816 350.0 0.325 0.354 0.393 0.000 -0.014 0.000 3/18816 360.0 0.316 0.344 0.382 0.000 -0.014 0.000 3/18816 370.0 0.307 0.335 0.372 0.000 -0.013 0.000 3/18816 380.0 0.300 0.326 0.362 0.000 -0.013 0.000 3/18816 390.0 0.292 0.317 0.353 0.000 -0.012 0.000 3/18816 400.0 0.285 0.309 0.344 0.000 -0.012 0.000 3/18816 410.0 0.278 0.302 0.336 0.000 -0.012 0.000 3/18816 420.0 0.272 0.295 0.328 0.000 -0.011 0.000 3/18816 430.0 0.265 0.288 0.320 0.000 -0.011 0.000 3/18816 440.0 0.259 0.281 0.313 0.000 -0.011 0.000 3/18816 450.0 0.254 0.275 0.306 0.000 -0.011 0.000 3/18816 460.0 0.248 0.269 0.300 0.000 -0.010 0.000 3/18816 470.0 0.243 0.263 0.293 0.000 -0.010 0.000 3/18816 480.0 0.238 0.258 0.287 0.000 -0.010 0.000 3/18816 490.0 0.233 0.252 0.282 0.000 -0.010 0.000 3/18816 500.0 0.229 0.247 0.276 0.000 -0.010 0.000 3/18816 510.0 0.224 0.242 0.271 0.000 -0.009 0.000 3/18816 520.0 0.220 0.238 0.265 0.000 -0.009 0.000 3/18816 530.0 0.216 0.233 0.261 0.000 -0.009 0.000 3/18816 540.0 0.212 0.229 0.256 0.000 -0.009 0.000 3/18816 550.0 0.208 0.225 0.251 0.000 -0.009 0.000 3/18816 560.0 0.205 0.221 0.247 0.000 -0.008 0.000 3/18816 570.0 0.201 0.217 0.242 0.000 -0.008 0.000 3/18816 580.0 0.198 0.213 0.238 0.000 -0.008 0.000 3/18816 590.0 0.194 0.210 0.234 0.000 -0.008 0.000 3/18816 600.0 0.191 0.206 0.230 0.000 -0.008 0.000 3/18816 610.0 0.188 0.203 0.227 0.000 -0.008 0.000 3/18816 620.0 0.185 0.199 0.223 0.000 -0.008 0.000 3/18816 630.0 0.182 0.196 0.219 0.000 -0.007 0.000 3/18816 640.0 0.179 0.193 0.216 0.000 -0.007 0.000 3/18816 650.0 0.177 0.190 0.213 0.000 -0.007 0.000 3/18816 660.0 0.174 0.187 0.210 0.000 -0.007 0.000 3/18816 670.0 0.171 0.185 0.206 0.000 -0.007 0.000 3/18816 680.0 0.169 0.182 0.203 0.000 -0.007 0.000 3/18816 690.0 0.166 0.179 0.200 0.000 -0.007 0.000 3/18816 700.0 0.164 0.177 0.198 0.000 -0.007 0.000 3/18816 710.0 0.162 0.174 0.195 0.000 -0.007 0.000 3/18816 720.0 0.160 0.172 0.192 0.000 -0.006 0.000 3/18816 730.0 0.157 0.169 0.190 0.000 -0.006 0.000 3/18816 740.0 0.155 0.167 0.187 0.000 -0.006 0.000 3/18816 750.0 0.153 0.165 0.185 0.000 -0.006 0.000 3/18816 760.0 0.151 0.163 0.182 0.000 -0.006 0.000 3/18816 770.0 0.149 0.161 0.180 0.000 -0.006 0.000 3/18816 780.0 0.147 0.159 0.177 0.000 -0.006 0.000 3/18816 790.0 0.146 0.157 0.175 0.000 -0.006 0.000 3/18816 800.0 0.144 0.155 0.173 0.000 -0.006 0.000 3/18816 810.0 0.142 0.153 0.171 0.000 -0.006 0.000 3/18816 820.0 0.140 0.151 0.169 0.000 -0.006 0.000 3/18816 830.0 0.139 0.149 0.167 0.000 -0.006 0.000 3/18816 840.0 0.137 0.147 0.165 0.000 -0.006 0.000 3/18816 850.0 0.135 0.145 0.163 0.000 -0.005 0.000 3/18816 860.0 0.134 0.144 0.161 0.000 -0.005 0.000 3/18816 870.0 0.132 0.142 0.159 0.000 -0.005 0.000 3/18816 880.0 0.131 0.141 0.157 0.000 -0.005 0.000 3/18816 890.0 0.129 0.139 0.156 0.000 -0.005 0.000 3/18816 900.0 0.128 0.137 0.154 0.000 -0.005 0.000 3/18816 910.0 0.126 0.136 0.152 0.000 -0.005 0.000 3/18816 920.0 0.125 0.134 0.151 0.000 -0.005 0.000 3/18816 930.0 0.124 0.133 0.149 0.000 -0.005 0.000 3/18816 940.0 0.122 0.132 0.147 0.000 -0.005 0.000 3/18816 950.0 0.121 0.130 0.146 0.000 -0.005 0.000 3/18816 960.0 0.120 0.129 0.144 0.000 -0.005 0.000 3/18816 970.0 0.119 0.127 0.143 0.000 -0.005 0.000 3/18816 980.0 0.117 0.126 0.141 0.000 -0.005 0.000 3/18816 990.0 0.116 0.125 0.140 0.000 -0.005 0.000 3/18816 1000.0 0.115 0.124 0.139 0.000 -0.005 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:47:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|