----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.418991690608749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): *1 K 0.80333779075083 0.24465183196029 0.89985398326659 39.098 *2 K 0.27017128724729 0.41788223387229 0.12023031381129 39.098 *3 K 0.57470912846619 0.64188847197346 0.42032756427244 39.098 4 K 0.27017128724729 0.08211776612771 0.62023031381129 39.098 5 K 0.42529087153381 0.35811152802654 0.57967243572756 39.098 6 K 0.57470912846619 0.85811152802654 0.92032756427244 39.098 7 K 0.72982871275271 0.91788223387229 0.37976968618871 39.098 8 K 0.19666220924917 0.75534816803971 0.10014601673341 39.098 9 K 0.19666220924917 0.74465183196029 0.60014601673341 39.098 10 K 0.72982871275271 0.58211776612771 0.87976968618871 39.098 11 K 0.80333779075083 0.25534816803971 0.39985398326659 39.098 12 K 0.42529087153381 0.14188847197346 0.07967243572756 39.098 *13 P 0.88999587646541 0.44463149785287 0.66482514160298 30.974 *14 P 0.21651219480472 0.57056713903920 0.84459085466069 30.974 15 P 0.11000412353459 0.55536850214713 0.33517485839702 30.974 *16 P 0.75127984864738 0.67121953051994 0.17800684780349 30.974 17 P 0.88999587646541 0.05536850214713 0.16482514160298 30.974 18 P 0.11000412353459 0.94463149785287 0.83517485839702 30.974 19 P 0.78348780519529 0.07056713903920 0.65540914533931 30.974 20 P 0.78348780519529 0.42943286096080 0.15540914533931 30.974 21 P 0.24872015135261 0.17121953051994 0.32199315219651 30.974 22 P 0.21651219480472 0.92943286096080 0.34459085466069 30.974 23 P 0.75127984864738 0.82878046948006 0.67800684780349 30.974 24 P 0.24872015135261 0.32878046948006 0.82199315219651 30.974 *25 O 0.78389851092259 0.42619951517961 0.74520198024078 15.999 *26 O 0.39362148039234 0.23708924776825 0.29264735171439 15.999 *27 O 0.34663115908042 0.65975106962896 0.83291516169851 15.999 *28 O 0.18328692999657 0.21058838214677 0.41725758067523 15.999 *29 O 0.22919285460917 0.54922267087700 0.47091649191649 15.999 30 O 0.65336884091958 0.34024893037104 0.16708483830148 15.999 31 O 0.77080714539082 0.04922267087700 0.02908350808351 15.999 32 O 0.39362148039234 0.26291075223175 0.79264735171439 15.999 33 O 0.81671307000343 0.71058838214677 0.08274241932477 15.999 34 O 0.60637851960766 0.76291075223175 0.70735264828561 15.999 *35 O 0.94167222068609 0.84912339620996 0.80926983781784 15.999 36 O 0.77080714539082 0.45077732912300 0.52908350808351 15.999 *37 O 0.14055739197069 0.92303661450121 0.44158494103703 15.999 38 O 0.94167222068609 0.65087660379004 0.30926983781784 15.999 39 O 0.05832777931392 0.34912339620996 0.69073016218216 15.999 40 O 0.21610148907741 0.57380048482039 0.25479801975922 15.999 41 O 0.18328692999657 0.28941161785323 0.91725758067523 15.999 42 O 0.78389851092259 0.07380048482039 0.24520198024078 15.999 *43 O 0.96944114350997 0.44562101862759 0.29031596089496 15.999 *44 O 0.33654264192475 0.04567100414463 0.35515809336313 15.999 45 O 0.85944260802931 0.42303661450121 0.05841505896297 15.999 46 O 0.03055885649003 0.94562101862759 0.20968403910503 15.999 47 O 0.33654264192475 0.45432899585537 0.85515809336313 15.999 48 O 0.05832777931392 0.15087660379004 0.19073016218216 15.999 49 O 0.66345735807525 0.95432899585537 0.64484190663687 15.999 50 O 0.85944260802931 0.07696338549879 0.55841505896297 15.999 51 O 0.96944114350997 0.05437898137241 0.79031596089497 15.999 52 O 0.03055885649003 0.55437898137241 0.70968403910503 15.999 53 O 0.22919285460917 0.95077732912300 0.97091649191649 15.999 54 O 0.65336884091958 0.15975106962896 0.66708483830149 15.999 55 O 0.21610148907741 0.92619951517961 0.75479801975922 15.999 56 O 0.60637851960766 0.73708924776825 0.20735264828561 15.999 57 O 0.34663115908042 0.84024893037104 0.33291516169851 15.999 58 O 0.14055739197069 0.57696338549879 0.94158494103703 15.999 59 O 0.66345735807525 0.54567100414463 0.14484190663687 15.999 60 O 0.81671307000343 0.78941161785323 0.58274241932477 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.418991690608749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): *1 K 0.80333779075083 0.24465183196029 0.89985398326659 39.098 > 1 *2 K 0.27017128724729 0.41788223387229 0.12023031381129 39.098 > 2 *3 K 0.57470912846619 0.64188847197346 0.42032756427244 39.098 > 3 4 K 0.27017128724729 0.08211776612771 0.62023031381129 39.098 > 4 5 K 0.42529087153381 0.35811152802654 0.57967243572756 39.098 > 5 6 K 0.57470912846619 0.85811152802654 0.92032756427244 39.098 > 6 7 K 0.72982871275271 0.91788223387229 0.37976968618871 39.098 > 7 8 K 0.19666220924917 0.75534816803971 0.10014601673341 39.098 > 8 9 K 0.19666220924917 0.74465183196029 0.60014601673341 39.098 > 9 10 K 0.72982871275271 0.58211776612771 0.87976968618871 39.098 > 10 11 K 0.80333779075083 0.25534816803971 0.39985398326659 39.098 > 11 12 K 0.42529087153381 0.14188847197346 0.07967243572756 39.098 > 12 *13 P 0.88999587646541 0.44463149785287 0.66482514160298 30.974 > 13 *14 P 0.21651219480472 0.57056713903920 0.84459085466069 30.974 > 14 15 P 0.11000412353459 0.55536850214713 0.33517485839702 30.974 > 15 *16 P 0.75127984864738 0.67121953051994 0.17800684780349 30.974 > 16 17 P 0.88999587646541 0.05536850214713 0.16482514160298 30.974 > 17 18 P 0.11000412353459 0.94463149785287 0.83517485839702 30.974 > 18 19 P 0.78348780519529 0.07056713903920 0.65540914533931 30.974 > 19 20 P 0.78348780519529 0.42943286096080 0.15540914533931 30.974 > 20 21 P 0.24872015135261 0.17121953051994 0.32199315219651 30.974 > 21 22 P 0.21651219480472 0.92943286096080 0.34459085466069 30.974 > 22 23 P 0.75127984864738 0.82878046948006 0.67800684780349 30.974 > 23 24 P 0.24872015135261 0.32878046948006 0.82199315219651 30.974 > 24 *25 O 0.78389851092259 0.42619951517961 0.74520198024078 15.999 > 25 *26 O 0.39362148039234 0.23708924776825 0.29264735171439 15.999 > 26 *27 O 0.34663115908042 0.65975106962896 0.83291516169851 15.999 > 27 *28 O 0.18328692999657 0.21058838214677 0.41725758067523 15.999 > 28 *29 O 0.22919285460917 0.54922267087700 0.47091649191649 15.999 > 29 30 O 0.65336884091958 0.34024893037104 0.16708483830148 15.999 > 30 31 O 0.77080714539082 0.04922267087700 0.02908350808351 15.999 > 31 32 O 0.39362148039234 0.26291075223175 0.79264735171439 15.999 > 32 33 O 0.81671307000343 0.71058838214677 0.08274241932477 15.999 > 33 34 O 0.60637851960766 0.76291075223175 0.70735264828561 15.999 > 34 *35 O 0.94167222068609 0.84912339620996 0.80926983781784 15.999 > 35 36 O 0.77080714539082 0.45077732912300 0.52908350808351 15.999 > 36 *37 O 0.14055739197069 0.92303661450121 0.44158494103703 15.999 > 37 38 O 0.94167222068609 0.65087660379004 0.30926983781784 15.999 > 38 39 O 0.05832777931392 0.34912339620996 0.69073016218216 15.999 > 39 40 O 0.21610148907741 0.57380048482039 0.25479801975922 15.999 > 40 41 O 0.18328692999657 0.28941161785323 0.91725758067523 15.999 > 41 42 O 0.78389851092259 0.07380048482039 0.24520198024078 15.999 > 42 *43 O 0.96944114350997 0.44562101862759 0.29031596089496 15.999 > 43 *44 O 0.33654264192475 0.04567100414463 0.35515809336313 15.999 > 44 45 O 0.85944260802931 0.42303661450121 0.05841505896297 15.999 > 45 46 O 0.03055885649003 0.94562101862759 0.20968403910503 15.999 > 46 47 O 0.33654264192475 0.45432899585537 0.85515809336313 15.999 > 47 48 O 0.05832777931392 0.15087660379004 0.19073016218216 15.999 > 48 49 O 0.66345735807525 0.95432899585537 0.64484190663687 15.999 > 49 50 O 0.85944260802931 0.07696338549879 0.55841505896297 15.999 > 50 51 O 0.96944114350997 0.05437898137241 0.79031596089497 15.999 > 51 52 O 0.03055885649003 0.55437898137241 0.70968403910503 15.999 > 52 53 O 0.22919285460917 0.95077732912300 0.97091649191649 15.999 > 53 54 O 0.65336884091958 0.15975106962896 0.66708483830149 15.999 > 54 55 O 0.21610148907741 0.92619951517961 0.75479801975922 15.999 > 55 56 O 0.60637851960766 0.73708924776825 0.20735264828561 15.999 > 56 57 O 0.34663115908042 0.84024893037104 0.33291516169851 15.999 > 57 58 O 0.14055739197069 0.57696338549879 0.94158494103703 15.999 > 58 59 O 0.66345735807525 0.54567100414463 0.14484190663687 15.999 > 59 60 O 0.81671307000343 0.78941161785323 0.58274241932477 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.837983381217498 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): *1 K 0.40166889537542 0.24465183196029 0.89985398326659 39.098 > 1 2 K 0.90166889537542 0.24465183196029 0.89985398326659 39.098 > 1 *3 K 0.13508564362365 0.41788223387229 0.12023031381129 39.098 > 2 4 K 0.63508564362365 0.41788223387229 0.12023031381129 39.098 > 2 *5 K 0.28735456423310 0.64188847197346 0.42032756427244 39.098 > 3 6 K 0.78735456423310 0.64188847197346 0.42032756427244 39.098 > 3 7 K 0.13508564362365 0.08211776612771 0.62023031381129 39.098 > 4 8 K 0.63508564362365 0.08211776612771 0.62023031381129 39.098 > 4 9 K 0.21264543576691 0.35811152802654 0.57967243572756 39.098 > 5 10 K 0.71264543576690 0.35811152802654 0.57967243572756 39.098 > 5 11 K 0.28735456423310 0.85811152802654 0.92032756427244 39.098 > 6 12 K 0.78735456423310 0.85811152802654 0.92032756427244 39.098 > 6 13 K 0.36491435637635 0.91788223387229 0.37976968618871 39.098 > 7 14 K 0.86491435637635 0.91788223387229 0.37976968618871 39.098 > 7 15 K 0.09833110462458 0.75534816803971 0.10014601673341 39.098 > 8 16 K 0.59833110462458 0.75534816803971 0.10014601673341 39.098 > 8 17 K 0.09833110462458 0.74465183196029 0.60014601673341 39.098 > 9 18 K 0.59833110462458 0.74465183196029 0.60014601673341 39.098 > 9 19 K 0.36491435637635 0.58211776612771 0.87976968618871 39.098 > 10 20 K 0.86491435637635 0.58211776612771 0.87976968618871 39.098 > 10 21 K 0.40166889537542 0.25534816803971 0.39985398326659 39.098 > 11 22 K 0.90166889537542 0.25534816803971 0.39985398326659 39.098 > 11 23 K 0.21264543576691 0.14188847197346 0.07967243572756 39.098 > 12 24 K 0.71264543576690 0.14188847197346 0.07967243572756 39.098 > 12 *25 P 0.44499793823271 0.44463149785287 0.66482514160298 30.974 > 13 26 P 0.94499793823271 0.44463149785287 0.66482514160298 30.974 > 13 *27 P 0.10825609740236 0.57056713903920 0.84459085466069 30.974 > 14 28 P 0.60825609740236 0.57056713903920 0.84459085466069 30.974 > 14 29 P 0.05500206176729 0.55536850214713 0.33517485839702 30.974 > 15 30 P 0.55500206176729 0.55536850214713 0.33517485839702 30.974 > 15 *31 P 0.37563992432369 0.67121953051994 0.17800684780349 30.974 > 16 32 P 0.87563992432369 0.67121953051994 0.17800684780349 30.974 > 16 33 P 0.44499793823271 0.05536850214713 0.16482514160298 30.974 > 17 34 P 0.94499793823271 0.05536850214713 0.16482514160298 30.974 > 17 35 P 0.05500206176729 0.94463149785287 0.83517485839702 30.974 > 18 36 P 0.55500206176729 0.94463149785287 0.83517485839702 30.974 > 18 37 P 0.39174390259764 0.07056713903920 0.65540914533931 30.974 > 19 38 P 0.89174390259764 0.07056713903920 0.65540914533931 30.974 > 19 39 P 0.39174390259764 0.42943286096080 0.15540914533931 30.974 > 20 40 P 0.89174390259764 0.42943286096080 0.15540914533931 30.974 > 20 41 P 0.12436007567631 0.17121953051994 0.32199315219651 30.974 > 21 42 P 0.62436007567631 0.17121953051994 0.32199315219651 30.974 > 21 43 P 0.10825609740236 0.92943286096080 0.34459085466069 30.974 > 22 44 P 0.60825609740236 0.92943286096080 0.34459085466069 30.974 > 22 45 P 0.37563992432369 0.82878046948006 0.67800684780349 30.974 > 23 46 P 0.87563992432369 0.82878046948006 0.67800684780349 30.974 > 23 47 P 0.12436007567631 0.32878046948006 0.82199315219651 30.974 > 24 48 P 0.62436007567631 0.32878046948006 0.82199315219651 30.974 > 24 *49 O 0.39194925546129 0.42619951517961 0.74520198024078 15.999 > 25 50 O 0.89194925546129 0.42619951517961 0.74520198024078 15.999 > 25 *51 O 0.19681074019617 0.23708924776825 0.29264735171439 15.999 > 26 52 O 0.69681074019617 0.23708924776825 0.29264735171439 15.999 > 26 *53 O 0.17331557954021 0.65975106962896 0.83291516169851 15.999 > 27 54 O 0.67331557954021 0.65975106962896 0.83291516169851 15.999 > 27 *55 O 0.09164346499829 0.21058838214677 0.41725758067523 15.999 > 28 56 O 0.59164346499829 0.21058838214677 0.41725758067523 15.999 > 28 *57 O 0.11459642730459 0.54922267087700 0.47091649191649 15.999 > 29 58 O 0.61459642730459 0.54922267087700 0.47091649191649 15.999 > 29 59 O 0.32668442045979 0.34024893037104 0.16708483830148 15.999 > 30 60 O 0.82668442045979 0.34024893037104 0.16708483830148 15.999 > 30 61 O 0.38540357269541 0.04922267087700 0.02908350808351 15.999 > 31 62 O 0.88540357269541 0.04922267087700 0.02908350808351 15.999 > 31 63 O 0.19681074019617 0.26291075223175 0.79264735171439 15.999 > 32 64 O 0.69681074019617 0.26291075223175 0.79264735171439 15.999 > 32 65 O 0.40835653500171 0.71058838214677 0.08274241932477 15.999 > 33 66 O 0.90835653500171 0.71058838214677 0.08274241932477 15.999 > 33 67 O 0.30318925980383 0.76291075223175 0.70735264828561 15.999 > 34 68 O 0.80318925980383 0.76291075223175 0.70735264828561 15.999 > 34 *69 O 0.47083611034304 0.84912339620996 0.80926983781784 15.999 > 35 70 O 0.97083611034304 0.84912339620996 0.80926983781784 15.999 > 35 71 O 0.38540357269541 0.45077732912300 0.52908350808351 15.999 > 36 72 O 0.88540357269541 0.45077732912300 0.52908350808351 15.999 > 36 *73 O 0.07027869598535 0.92303661450121 0.44158494103703 15.999 > 37 74 O 0.57027869598534 0.92303661450121 0.44158494103703 15.999 > 37 75 O 0.47083611034304 0.65087660379004 0.30926983781784 15.999 > 38 76 O 0.97083611034304 0.65087660379004 0.30926983781784 15.999 > 38 77 O 0.02916388965696 0.34912339620996 0.69073016218216 15.999 > 39 78 O 0.52916388965696 0.34912339620996 0.69073016218216 15.999 > 39 79 O 0.10805074453871 0.57380048482039 0.25479801975922 15.999 > 40 80 O 0.60805074453871 0.57380048482039 0.25479801975922 15.999 > 40 81 O 0.09164346499829 0.28941161785323 0.91725758067523 15.999 > 41 82 O 0.59164346499829 0.28941161785323 0.91725758067523 15.999 > 41 83 O 0.39194925546129 0.07380048482039 0.24520198024078 15.999 > 42 84 O 0.89194925546129 0.07380048482039 0.24520198024078 15.999 > 42 *85 O 0.48472057175499 0.44562101862759 0.29031596089496 15.999 > 43 86 O 0.98472057175499 0.44562101862759 0.29031596089496 15.999 > 43 *87 O 0.16827132096237 0.04567100414463 0.35515809336313 15.999 > 44 88 O 0.66827132096237 0.04567100414463 0.35515809336313 15.999 > 44 89 O 0.42972130401466 0.42303661450121 0.05841505896297 15.999 > 45 90 O 0.92972130401466 0.42303661450121 0.05841505896297 15.999 > 45 91 O 0.01527942824501 0.94562101862759 0.20968403910503 15.999 > 46 92 O 0.51527942824501 0.94562101862759 0.20968403910503 15.999 > 46 93 O 0.16827132096237 0.45432899585537 0.85515809336313 15.999 > 47 94 O 0.66827132096237 0.45432899585537 0.85515809336313 15.999 > 47 95 O 0.02916388965696 0.15087660379004 0.19073016218216 15.999 > 48 96 O 0.52916388965696 0.15087660379004 0.19073016218216 15.999 > 48 97 O 0.33172867903763 0.95432899585537 0.64484190663687 15.999 > 49 98 O 0.83172867903763 0.95432899585537 0.64484190663687 15.999 > 49 99 O 0.42972130401466 0.07696338549879 0.55841505896297 15.999 > 50 100 O 0.92972130401466 0.07696338549879 0.55841505896297 15.999 > 50 101 O 0.48472057175499 0.05437898137241 0.79031596089497 15.999 > 51 102 O 0.98472057175499 0.05437898137241 0.79031596089497 15.999 > 51 103 O 0.01527942824501 0.55437898137241 0.70968403910503 15.999 > 52 104 O 0.51527942824501 0.55437898137241 0.70968403910503 15.999 > 52 105 O 0.11459642730459 0.95077732912300 0.97091649191649 15.999 > 53 106 O 0.61459642730459 0.95077732912300 0.97091649191649 15.999 > 53 107 O 0.32668442045979 0.15975106962896 0.66708483830149 15.999 > 54 108 O 0.82668442045979 0.15975106962896 0.66708483830149 15.999 > 54 109 O 0.10805074453871 0.92619951517961 0.75479801975922 15.999 > 55 110 O 0.60805074453871 0.92619951517961 0.75479801975922 15.999 > 55 111 O 0.30318925980383 0.73708924776825 0.20735264828561 15.999 > 56 112 O 0.80318925980383 0.73708924776825 0.20735264828561 15.999 > 56 113 O 0.17331557954021 0.84024893037104 0.33291516169851 15.999 > 57 114 O 0.67331557954021 0.84024893037104 0.33291516169851 15.999 > 57 115 O 0.07027869598535 0.57696338549879 0.94158494103703 15.999 > 58 116 O 0.57027869598534 0.57696338549879 0.94158494103703 15.999 > 58 117 O 0.33172867903763 0.54567100414463 0.14484190663687 15.999 > 59 118 O 0.83172867903763 0.54567100414463 0.14484190663687 15.999 > 59 119 O 0.40835653500171 0.78941161785323 0.58274241932477 15.999 > 60 120 O 0.90835653500171 0.78941161785323 0.58274241932477 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2752295 0.0000000 0.0162994 0.0000000 2.2774994 0.0000000 0.0162991 0.0000000 2.2655859 -------------------------- Born effective charges -------------------------- 1 K 1.2317915 0.0096206 -0.0791671 -0.0198602 1.2254746 0.0736245 -0.1123496 -0.0065860 1.2557870 2 K 1.2917250 -0.0969754 -0.1222304 -0.0542664 1.0967823 -0.0583897 -0.0750854 -0.0233991 1.2141398 3 K 1.2201993 -0.0049707 0.1022283 -0.0205655 1.2338790 0.0363658 0.1504507 -0.0505597 1.2296770 4 K 1.2917250 0.0969754 -0.1222304 0.0542664 1.0967823 0.0583897 -0.0750854 0.0233991 1.2141398 5 K 1.2201993 -0.0049707 0.1022283 -0.0205655 1.2338790 0.0363658 0.1504507 -0.0505597 1.2296770 6 K 1.2201993 0.0049707 0.1022283 0.0205655 1.2338790 -0.0363658 0.1504507 0.0505597 1.2296770 7 K 1.2917250 0.0969754 -0.1222304 0.0542664 1.0967823 0.0583897 -0.0750854 0.0233991 1.2141398 8 K 1.2317915 0.0096206 -0.0791671 -0.0198602 1.2254746 0.0736245 -0.1123496 -0.0065860 1.2557870 9 K 1.2317915 -0.0096206 -0.0791671 0.0198602 1.2254746 -0.0736245 -0.1123496 0.0065860 1.2557870 10 K 1.2917250 -0.0969754 -0.1222304 -0.0542664 1.0967823 -0.0583897 -0.0750854 -0.0233991 1.2141398 11 K 1.2317915 -0.0096206 -0.0791671 0.0198602 1.2254746 -0.0736245 -0.1123496 0.0065860 1.2557870 12 K 1.2201993 0.0049707 0.1022283 0.0205655 1.2338790 -0.0363658 0.1504507 0.0505597 1.2296770 13 P 3.0583809 0.0571861 0.2046251 0.0846457 2.7318057 0.0358748 0.6295012 0.0689411 2.9939119 14 P 2.7914140 0.2550104 0.1913697 0.0114312 3.2510074 0.4168981 -0.0635916 0.1426238 2.8185138 15 P 3.0583809 0.0571861 0.2046251 0.0846457 2.7318057 0.0358748 0.6295012 0.0689411 2.9939119 16 P 2.8177655 -0.4162440 0.2144801 -0.0588396 3.2591932 -0.2060402 -0.0925668 -0.0606013 2.7741285 17 P 3.0583809 -0.0571861 0.2046251 -0.0846457 2.7318057 -0.0358748 0.6295012 -0.0689411 2.9939119 18 P 3.0583809 -0.0571861 0.2046251 -0.0846457 2.7318057 -0.0358748 0.6295012 -0.0689411 2.9939119 19 P 2.7914140 -0.2550104 0.1913697 -0.0114312 3.2510074 -0.4168981 -0.0635916 -0.1426238 2.8185138 20 P 2.7914140 0.2550104 0.1913697 0.0114312 3.2510074 0.4168981 -0.0635916 0.1426238 2.8185138 21 P 2.8177655 0.4162440 0.2144801 0.0588396 3.2591932 0.2060402 -0.0925668 0.0606013 2.7741285 22 P 2.7914140 -0.2550104 0.1913697 -0.0114312 3.2510074 -0.4168981 -0.0635916 -0.1426238 2.8185138 23 P 2.8177655 0.4162440 0.2144801 0.0588396 3.2591932 0.2060402 -0.0925668 0.0606013 2.7741285 24 P 2.8177655 -0.4162440 0.2144801 -0.0588396 3.2591932 -0.2060402 -0.0925668 -0.0606013 2.7741285 25 O -1.6555864 -0.1090321 0.3539291 -0.1250432 -1.0453989 0.0000486 0.0976122 -0.0182930 -1.2556229 26 O -1.6304585 -0.3843616 0.1812727 -0.4409013 -1.2864139 0.1417052 0.1395236 0.0567221 -1.0810622 27 O -1.4377739 -0.4195471 0.0203585 -0.4990255 -1.5467961 0.0866905 -0.0120762 0.0160403 -1.0354914 28 O -1.2847127 0.0238472 0.2364365 0.2069068 -1.2194513 -0.2859352 0.3669976 -0.1902810 -1.4668486 29 O -1.0545797 0.0448691 -0.2322823 0.0131595 -1.0399513 0.0453971 -0.1635886 0.0704510 -1.8437824 30 O -1.4377739 -0.4195471 0.0203585 -0.4990255 -1.5467961 0.0866905 -0.0120762 0.0160403 -1.0354914 31 O -1.0545797 -0.0448691 -0.2322823 -0.0131595 -1.0399513 -0.0453971 -0.1635886 -0.0704510 -1.8437824 32 O -1.6304585 0.3843616 0.1812727 0.4409013 -1.2864139 -0.1417052 0.1395236 -0.0567221 -1.0810622 33 O -1.2847127 -0.0238472 0.2364365 -0.2069068 -1.2194513 0.2859352 0.3669976 0.1902810 -1.4668486 34 O -1.6304585 -0.3843616 0.1812727 -0.4409013 -1.2864139 0.1417052 0.1395236 0.0567221 -1.0810622 35 O -1.5967522 -0.6151676 -0.6555557 -0.5750285 -1.3557273 -0.3236808 -0.6106777 -0.3478357 -1.5834380 36 O -1.0545797 0.0448691 -0.2322823 0.0131595 -1.0399513 0.0453971 -0.1635886 0.0704510 -1.8437824 37 O -1.3468851 0.0049987 0.3111770 -0.1286590 -1.1044806 0.1838577 0.4275433 0.0550336 -1.4405349 38 O -1.5967522 0.6151676 -0.6555557 0.5750285 -1.3557273 0.3236808 -0.6106777 0.3478357 -1.5834380 39 O -1.5967522 0.6151676 -0.6555557 0.5750285 -1.3557273 0.3236808 -0.6106777 0.3478357 -1.5834380 40 O -1.6555864 -0.1090321 0.3539291 -0.1250432 -1.0453989 0.0000486 0.0976122 -0.0182930 -1.2556229 41 O -1.2847127 -0.0238472 0.2364365 -0.2069068 -1.2194513 0.2859352 0.3669976 0.1902810 -1.4668486 42 O -1.6555864 0.1090321 0.3539291 0.1250432 -1.0453989 -0.0000486 0.0976122 0.0182930 -1.2556229 43 O -1.3118676 -0.5267466 -0.6308423 -0.5454570 -1.5372486 -0.4966565 -0.6103684 -0.4844908 -1.7085077 44 O -1.0926601 -0.2046969 -0.0957996 -0.1814290 -2.6626741 0.1921423 -0.0713243 0.1641409 -0.8708699 45 O -1.3468851 -0.0049987 0.3111770 0.1286590 -1.1044806 -0.1838577 0.4275433 -0.0550336 -1.4405349 46 O -1.3118676 0.5267466 -0.6308423 0.5454570 -1.5372486 0.4966565 -0.6103684 0.4844908 -1.7085077 47 O -1.0926601 0.2046969 -0.0957996 0.1814290 -2.6626741 -0.1921423 -0.0713243 -0.1641409 -0.8708699 48 O -1.5967522 -0.6151676 -0.6555557 -0.5750285 -1.3557273 -0.3236808 -0.6106777 -0.3478357 -1.5834380 49 O -1.0926601 -0.2046969 -0.0957996 -0.1814290 -2.6626741 0.1921423 -0.0713243 0.1641409 -0.8708699 50 O -1.3468851 0.0049987 0.3111770 -0.1286590 -1.1044806 0.1838577 0.4275433 0.0550336 -1.4405349 51 O -1.3118676 0.5267466 -0.6308423 0.5454570 -1.5372486 0.4966565 -0.6103684 0.4844908 -1.7085077 52 O -1.3118676 -0.5267466 -0.6308423 -0.5454570 -1.5372486 -0.4966565 -0.6103684 -0.4844908 -1.7085077 53 O -1.0545797 -0.0448691 -0.2322823 -0.0131595 -1.0399513 -0.0453971 -0.1635886 -0.0704510 -1.8437824 54 O -1.4377739 0.4195471 0.0203585 0.4990255 -1.5467961 -0.0866905 -0.0120762 -0.0160403 -1.0354914 55 O -1.6555864 0.1090321 0.3539291 0.1250432 -1.0453989 -0.0000486 0.0976122 0.0182930 -1.2556229 56 O -1.6304585 0.3843616 0.1812727 0.4409013 -1.2864139 -0.1417052 0.1395236 -0.0567221 -1.0810622 57 O -1.4377739 0.4195471 0.0203585 0.4990255 -1.5467961 -0.0866905 -0.0120762 -0.0160403 -1.0354914 58 O -1.3468851 -0.0049987 0.3111770 0.1286590 -1.1044806 -0.1838577 0.4275433 -0.0550336 -1.4405349 59 O -1.0926601 0.2046969 -0.0957996 0.1814290 -2.6626741 -0.1921423 -0.0713243 -0.1641409 -0.8708699 60 O -1.2847127 0.0238472 0.2364365 0.2069068 -1.2194513 -0.2859352 0.3669976 -0.1902810 -1.4668486 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 80 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 80 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 80), data: (1800, 110) @ (110, 80) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 221), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 220), data: True |-- (250, 227), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 80), data: (1800, 110) @ (110, 80) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 221), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 220), data: True |-- (250, 227), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.395 Solver_block: 200 / 1840 - Time: 2.066 Solver_block: 300 / 1840 - Time: 2.068 Solver_block: 400 / 1840 - Time: 2.072 Solver_block: 500 / 1840 - Time: 2.069 Solver_block: 600 / 1840 - Time: 2.070 Solver_block: 700 / 1840 - Time: 2.070 Solver_block: 800 / 1840 - Time: 2.071 Solver_block: 900 / 1840 - Time: 2.066 Solver_block: 1000 / 1840 - Time: 2.071 Solver_block: 1100 / 1840 - Time: 2.072 Solver_block: 1200 / 1840 - Time: 2.070 Solver_block: 1300 / 1840 - Time: 2.073 Solver_block: 1400 / 1840 - Time: 2.060 Solver_block: 1500 / 1840 - Time: 2.078 Solver_block: 1600 / 1840 - Time: 2.070 Solver_block: 1700 / 1840 - Time: 2.067 Solver_block: 1800 / 1840 - Time: 2.074 Solver_block: 1840 / 1840 - Time: 1.037 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.637 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 80 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 80 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 80), data: (1800, 110) @ (110, 80) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 221), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 220), data: True |-- (250, 227), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 80), data: (1800, 110) @ (110, 80) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 221), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 220), data: True |-- (250, 227), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), 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 13:48:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:48:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.418991690608749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): 1 K 0.80333779075083 0.24465183196029 0.89985398326659 39.098 2 K 0.27017128724729 0.41788223387229 0.12023031381129 39.098 3 K 0.57470912846619 0.64188847197346 0.42032756427244 39.098 4 K 0.27017128724729 0.08211776612771 0.62023031381129 39.098 5 K 0.42529087153381 0.35811152802654 0.57967243572756 39.098 6 K 0.57470912846619 0.85811152802654 0.92032756427244 39.098 7 K 0.72982871275271 0.91788223387229 0.37976968618871 39.098 8 K 0.19666220924917 0.75534816803971 0.10014601673341 39.098 9 K 0.19666220924917 0.74465183196029 0.60014601673341 39.098 10 K 0.72982871275271 0.58211776612771 0.87976968618871 39.098 11 K 0.80333779075083 0.25534816803971 0.39985398326659 39.098 12 K 0.42529087153381 0.14188847197346 0.07967243572756 39.098 13 P 0.88999587646541 0.44463149785287 0.66482514160298 30.974 14 P 0.21651219480472 0.57056713903920 0.84459085466069 30.974 15 P 0.11000412353459 0.55536850214713 0.33517485839702 30.974 16 P 0.75127984864738 0.67121953051994 0.17800684780349 30.974 17 P 0.88999587646541 0.05536850214713 0.16482514160298 30.974 18 P 0.11000412353459 0.94463149785287 0.83517485839702 30.974 19 P 0.78348780519529 0.07056713903920 0.65540914533931 30.974 20 P 0.78348780519529 0.42943286096080 0.15540914533931 30.974 21 P 0.24872015135261 0.17121953051994 0.32199315219651 30.974 22 P 0.21651219480472 0.92943286096080 0.34459085466069 30.974 23 P 0.75127984864738 0.82878046948006 0.67800684780349 30.974 24 P 0.24872015135261 0.32878046948006 0.82199315219651 30.974 25 O 0.78389851092259 0.42619951517961 0.74520198024078 15.999 26 O 0.39362148039234 0.23708924776825 0.29264735171439 15.999 27 O 0.34663115908042 0.65975106962896 0.83291516169851 15.999 28 O 0.18328692999657 0.21058838214677 0.41725758067523 15.999 29 O 0.22919285460917 0.54922267087700 0.47091649191649 15.999 30 O 0.65336884091958 0.34024893037104 0.16708483830148 15.999 31 O 0.77080714539082 0.04922267087700 0.02908350808351 15.999 32 O 0.39362148039234 0.26291075223175 0.79264735171439 15.999 33 O 0.81671307000343 0.71058838214677 0.08274241932477 15.999 34 O 0.60637851960766 0.76291075223175 0.70735264828561 15.999 35 O 0.94167222068609 0.84912339620996 0.80926983781784 15.999 36 O 0.77080714539082 0.45077732912300 0.52908350808351 15.999 37 O 0.14055739197069 0.92303661450121 0.44158494103703 15.999 38 O 0.94167222068609 0.65087660379004 0.30926983781784 15.999 39 O 0.05832777931392 0.34912339620996 0.69073016218216 15.999 40 O 0.21610148907741 0.57380048482039 0.25479801975922 15.999 41 O 0.18328692999657 0.28941161785323 0.91725758067523 15.999 42 O 0.78389851092259 0.07380048482039 0.24520198024078 15.999 43 O 0.96944114350997 0.44562101862759 0.29031596089496 15.999 44 O 0.33654264192475 0.04567100414463 0.35515809336313 15.999 45 O 0.85944260802931 0.42303661450121 0.05841505896297 15.999 46 O 0.03055885649003 0.94562101862759 0.20968403910503 15.999 47 O 0.33654264192475 0.45432899585537 0.85515809336313 15.999 48 O 0.05832777931392 0.15087660379004 0.19073016218216 15.999 49 O 0.66345735807525 0.95432899585537 0.64484190663687 15.999 50 O 0.85944260802931 0.07696338549879 0.55841505896297 15.999 51 O 0.96944114350997 0.05437898137241 0.79031596089497 15.999 52 O 0.03055885649003 0.55437898137241 0.70968403910503 15.999 53 O 0.22919285460917 0.95077732912300 0.97091649191649 15.999 54 O 0.65336884091958 0.15975106962896 0.66708483830149 15.999 55 O 0.21610148907741 0.92619951517961 0.75479801975922 15.999 56 O 0.60637851960766 0.73708924776825 0.20735264828561 15.999 57 O 0.34663115908042 0.84024893037104 0.33291516169851 15.999 58 O 0.14055739197069 0.57696338549879 0.94158494103703 15.999 59 O 0.66345735807525 0.54567100414463 0.14484190663687 15.999 60 O 0.81671307000343 0.78941161785323 0.58274241932477 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.837983381217498 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): 1 K 0.40166889537542 0.24465183196029 0.89985398326659 39.098 > 1 2 K 0.90166889537542 0.24465183196029 0.89985398326659 39.098 > 1 3 K 0.13508564362365 0.41788223387229 0.12023031381129 39.098 > 3 4 K 0.63508564362365 0.41788223387229 0.12023031381129 39.098 > 3 5 K 0.28735456423310 0.64188847197346 0.42032756427244 39.098 > 5 6 K 0.78735456423310 0.64188847197346 0.42032756427244 39.098 > 5 7 K 0.13508564362365 0.08211776612771 0.62023031381129 39.098 > 7 8 K 0.63508564362365 0.08211776612771 0.62023031381129 39.098 > 7 9 K 0.21264543576691 0.35811152802654 0.57967243572756 39.098 > 9 10 K 0.71264543576690 0.35811152802654 0.57967243572756 39.098 > 9 11 K 0.28735456423310 0.85811152802654 0.92032756427244 39.098 > 11 12 K 0.78735456423310 0.85811152802654 0.92032756427244 39.098 > 11 13 K 0.36491435637635 0.91788223387229 0.37976968618871 39.098 > 13 14 K 0.86491435637635 0.91788223387229 0.37976968618871 39.098 > 13 15 K 0.09833110462458 0.75534816803971 0.10014601673341 39.098 > 15 16 K 0.59833110462458 0.75534816803971 0.10014601673341 39.098 > 15 17 K 0.09833110462458 0.74465183196029 0.60014601673341 39.098 > 17 18 K 0.59833110462458 0.74465183196029 0.60014601673341 39.098 > 17 19 K 0.36491435637635 0.58211776612771 0.87976968618871 39.098 > 19 20 K 0.86491435637635 0.58211776612771 0.87976968618871 39.098 > 19 21 K 0.40166889537542 0.25534816803971 0.39985398326659 39.098 > 21 22 K 0.90166889537542 0.25534816803971 0.39985398326659 39.098 > 21 23 K 0.21264543576691 0.14188847197346 0.07967243572756 39.098 > 23 24 K 0.71264543576690 0.14188847197346 0.07967243572756 39.098 > 23 25 P 0.44499793823271 0.44463149785287 0.66482514160298 30.974 > 25 26 P 0.94499793823271 0.44463149785287 0.66482514160298 30.974 > 25 27 P 0.10825609740236 0.57056713903920 0.84459085466069 30.974 > 27 28 P 0.60825609740236 0.57056713903920 0.84459085466069 30.974 > 27 29 P 0.05500206176729 0.55536850214713 0.33517485839702 30.974 > 29 30 P 0.55500206176729 0.55536850214713 0.33517485839702 30.974 > 29 31 P 0.37563992432369 0.67121953051994 0.17800684780349 30.974 > 31 32 P 0.87563992432369 0.67121953051994 0.17800684780349 30.974 > 31 33 P 0.44499793823271 0.05536850214713 0.16482514160298 30.974 > 33 34 P 0.94499793823271 0.05536850214713 0.16482514160298 30.974 > 33 35 P 0.05500206176729 0.94463149785287 0.83517485839702 30.974 > 35 36 P 0.55500206176729 0.94463149785287 0.83517485839702 30.974 > 35 37 P 0.39174390259764 0.07056713903920 0.65540914533931 30.974 > 37 38 P 0.89174390259764 0.07056713903920 0.65540914533931 30.974 > 37 39 P 0.39174390259764 0.42943286096080 0.15540914533931 30.974 > 39 40 P 0.89174390259764 0.42943286096080 0.15540914533931 30.974 > 39 41 P 0.12436007567631 0.17121953051994 0.32199315219651 30.974 > 41 42 P 0.62436007567631 0.17121953051994 0.32199315219651 30.974 > 41 43 P 0.10825609740236 0.92943286096080 0.34459085466069 30.974 > 43 44 P 0.60825609740236 0.92943286096080 0.34459085466069 30.974 > 43 45 P 0.37563992432369 0.82878046948006 0.67800684780349 30.974 > 45 46 P 0.87563992432369 0.82878046948006 0.67800684780349 30.974 > 45 47 P 0.12436007567631 0.32878046948006 0.82199315219651 30.974 > 47 48 P 0.62436007567631 0.32878046948006 0.82199315219651 30.974 > 47 49 O 0.39194925546129 0.42619951517961 0.74520198024078 15.999 > 49 50 O 0.89194925546129 0.42619951517961 0.74520198024078 15.999 > 49 51 O 0.19681074019617 0.23708924776825 0.29264735171439 15.999 > 51 52 O 0.69681074019617 0.23708924776825 0.29264735171439 15.999 > 51 53 O 0.17331557954021 0.65975106962896 0.83291516169851 15.999 > 53 54 O 0.67331557954021 0.65975106962896 0.83291516169851 15.999 > 53 55 O 0.09164346499829 0.21058838214677 0.41725758067523 15.999 > 55 56 O 0.59164346499829 0.21058838214677 0.41725758067523 15.999 > 55 57 O 0.11459642730459 0.54922267087700 0.47091649191649 15.999 > 57 58 O 0.61459642730459 0.54922267087700 0.47091649191649 15.999 > 57 59 O 0.32668442045979 0.34024893037104 0.16708483830148 15.999 > 59 60 O 0.82668442045979 0.34024893037104 0.16708483830148 15.999 > 59 61 O 0.38540357269541 0.04922267087700 0.02908350808351 15.999 > 61 62 O 0.88540357269541 0.04922267087700 0.02908350808351 15.999 > 61 63 O 0.19681074019617 0.26291075223175 0.79264735171439 15.999 > 63 64 O 0.69681074019617 0.26291075223175 0.79264735171439 15.999 > 63 65 O 0.40835653500171 0.71058838214677 0.08274241932477 15.999 > 65 66 O 0.90835653500171 0.71058838214677 0.08274241932477 15.999 > 65 67 O 0.30318925980383 0.76291075223175 0.70735264828561 15.999 > 67 68 O 0.80318925980383 0.76291075223175 0.70735264828561 15.999 > 67 69 O 0.47083611034304 0.84912339620996 0.80926983781784 15.999 > 69 70 O 0.97083611034304 0.84912339620996 0.80926983781784 15.999 > 69 71 O 0.38540357269541 0.45077732912300 0.52908350808351 15.999 > 71 72 O 0.88540357269541 0.45077732912300 0.52908350808351 15.999 > 71 73 O 0.07027869598535 0.92303661450121 0.44158494103703 15.999 > 73 74 O 0.57027869598534 0.92303661450121 0.44158494103703 15.999 > 73 75 O 0.47083611034304 0.65087660379004 0.30926983781784 15.999 > 75 76 O 0.97083611034304 0.65087660379004 0.30926983781784 15.999 > 75 77 O 0.02916388965696 0.34912339620996 0.69073016218216 15.999 > 77 78 O 0.52916388965696 0.34912339620996 0.69073016218216 15.999 > 77 79 O 0.10805074453871 0.57380048482039 0.25479801975922 15.999 > 79 80 O 0.60805074453871 0.57380048482039 0.25479801975922 15.999 > 79 81 O 0.09164346499829 0.28941161785323 0.91725758067523 15.999 > 81 82 O 0.59164346499829 0.28941161785323 0.91725758067523 15.999 > 81 83 O 0.39194925546129 0.07380048482039 0.24520198024078 15.999 > 83 84 O 0.89194925546129 0.07380048482039 0.24520198024078 15.999 > 83 85 O 0.48472057175499 0.44562101862759 0.29031596089496 15.999 > 85 86 O 0.98472057175499 0.44562101862759 0.29031596089496 15.999 > 85 87 O 0.16827132096237 0.04567100414463 0.35515809336313 15.999 > 87 88 O 0.66827132096237 0.04567100414463 0.35515809336313 15.999 > 87 89 O 0.42972130401466 0.42303661450121 0.05841505896297 15.999 > 89 90 O 0.92972130401466 0.42303661450121 0.05841505896297 15.999 > 89 91 O 0.01527942824501 0.94562101862759 0.20968403910503 15.999 > 91 92 O 0.51527942824501 0.94562101862759 0.20968403910503 15.999 > 91 93 O 0.16827132096237 0.45432899585537 0.85515809336313 15.999 > 93 94 O 0.66827132096237 0.45432899585537 0.85515809336313 15.999 > 93 95 O 0.02916388965696 0.15087660379004 0.19073016218216 15.999 > 95 96 O 0.52916388965696 0.15087660379004 0.19073016218216 15.999 > 95 97 O 0.33172867903763 0.95432899585537 0.64484190663687 15.999 > 97 98 O 0.83172867903763 0.95432899585537 0.64484190663687 15.999 > 97 99 O 0.42972130401466 0.07696338549879 0.55841505896297 15.999 > 99 100 O 0.92972130401466 0.07696338549879 0.55841505896297 15.999 > 99 101 O 0.48472057175499 0.05437898137241 0.79031596089497 15.999 > 101 102 O 0.98472057175499 0.05437898137241 0.79031596089497 15.999 > 101 103 O 0.01527942824501 0.55437898137241 0.70968403910503 15.999 > 103 104 O 0.51527942824501 0.55437898137241 0.70968403910503 15.999 > 103 105 O 0.11459642730459 0.95077732912300 0.97091649191649 15.999 > 105 106 O 0.61459642730459 0.95077732912300 0.97091649191649 15.999 > 105 107 O 0.32668442045979 0.15975106962896 0.66708483830149 15.999 > 107 108 O 0.82668442045979 0.15975106962896 0.66708483830149 15.999 > 107 109 O 0.10805074453871 0.92619951517961 0.75479801975922 15.999 > 109 110 O 0.60805074453871 0.92619951517961 0.75479801975922 15.999 > 109 111 O 0.30318925980383 0.73708924776825 0.20735264828561 15.999 > 111 112 O 0.80318925980383 0.73708924776825 0.20735264828561 15.999 > 111 113 O 0.17331557954021 0.84024893037104 0.33291516169851 15.999 > 113 114 O 0.67331557954021 0.84024893037104 0.33291516169851 15.999 > 113 115 O 0.07027869598535 0.57696338549879 0.94158494103703 15.999 > 115 116 O 0.57027869598534 0.57696338549879 0.94158494103703 15.999 > 115 117 O 0.33172867903763 0.54567100414463 0.14484190663687 15.999 > 117 118 O 0.83172867903763 0.54567100414463 0.14484190663687 15.999 > 117 119 O 0.40835653500171 0.78941161785323 0.58274241932477 15.999 > 119 120 O 0.90835653500171 0.78941161785323 0.58274241932477 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2752295 0.0000000 0.0162994 0.0000000 2.2774994 0.0000000 0.0162991 0.0000000 2.2655859 -------------------------- Born effective charges -------------------------- 1 K 1.2317915 0.0096206 -0.0791671 -0.0198602 1.2254746 0.0736245 -0.1123496 -0.0065860 1.2557870 2 K 1.2917250 -0.0969754 -0.1222304 -0.0542664 1.0967823 -0.0583897 -0.0750854 -0.0233991 1.2141398 3 K 1.2201993 -0.0049707 0.1022283 -0.0205655 1.2338790 0.0363658 0.1504507 -0.0505597 1.2296770 4 K 1.2917250 0.0969754 -0.1222304 0.0542664 1.0967823 0.0583897 -0.0750854 0.0233991 1.2141398 5 K 1.2201993 -0.0049707 0.1022283 -0.0205655 1.2338790 0.0363658 0.1504507 -0.0505597 1.2296770 6 K 1.2201993 0.0049707 0.1022283 0.0205655 1.2338790 -0.0363658 0.1504507 0.0505597 1.2296770 7 K 1.2917250 0.0969754 -0.1222304 0.0542664 1.0967823 0.0583897 -0.0750854 0.0233991 1.2141398 8 K 1.2317915 0.0096206 -0.0791671 -0.0198602 1.2254746 0.0736245 -0.1123496 -0.0065860 1.2557870 9 K 1.2317915 -0.0096206 -0.0791671 0.0198602 1.2254746 -0.0736245 -0.1123496 0.0065860 1.2557870 10 K 1.2917250 -0.0969754 -0.1222304 -0.0542664 1.0967823 -0.0583897 -0.0750854 -0.0233991 1.2141398 11 K 1.2317915 -0.0096206 -0.0791671 0.0198602 1.2254746 -0.0736245 -0.1123496 0.0065860 1.2557870 12 K 1.2201993 0.0049707 0.1022283 0.0205655 1.2338790 -0.0363658 0.1504507 0.0505597 1.2296770 13 P 3.0583809 0.0571861 0.2046251 0.0846457 2.7318057 0.0358748 0.6295012 0.0689411 2.9939119 14 P 2.7914140 0.2550104 0.1913697 0.0114312 3.2510074 0.4168981 -0.0635916 0.1426238 2.8185138 15 P 3.0583809 0.0571861 0.2046251 0.0846457 2.7318057 0.0358748 0.6295012 0.0689411 2.9939119 16 P 2.8177655 -0.4162440 0.2144801 -0.0588396 3.2591932 -0.2060402 -0.0925668 -0.0606013 2.7741285 17 P 3.0583809 -0.0571861 0.2046251 -0.0846457 2.7318057 -0.0358748 0.6295012 -0.0689411 2.9939119 18 P 3.0583809 -0.0571861 0.2046251 -0.0846457 2.7318057 -0.0358748 0.6295012 -0.0689411 2.9939119 19 P 2.7914140 -0.2550104 0.1913697 -0.0114312 3.2510074 -0.4168981 -0.0635916 -0.1426238 2.8185138 20 P 2.7914140 0.2550104 0.1913697 0.0114312 3.2510074 0.4168981 -0.0635916 0.1426238 2.8185138 21 P 2.8177655 0.4162440 0.2144801 0.0588396 3.2591932 0.2060402 -0.0925668 0.0606013 2.7741285 22 P 2.7914140 -0.2550104 0.1913697 -0.0114312 3.2510074 -0.4168981 -0.0635916 -0.1426238 2.8185138 23 P 2.8177655 0.4162440 0.2144801 0.0588396 3.2591932 0.2060402 -0.0925668 0.0606013 2.7741285 24 P 2.8177655 -0.4162440 0.2144801 -0.0588396 3.2591932 -0.2060402 -0.0925668 -0.0606013 2.7741285 25 O -1.6555864 -0.1090321 0.3539291 -0.1250432 -1.0453989 0.0000486 0.0976122 -0.0182930 -1.2556229 26 O -1.6304585 -0.3843616 0.1812727 -0.4409013 -1.2864139 0.1417052 0.1395236 0.0567221 -1.0810622 27 O -1.4377739 -0.4195471 0.0203585 -0.4990255 -1.5467961 0.0866905 -0.0120762 0.0160403 -1.0354914 28 O -1.2847127 0.0238472 0.2364365 0.2069068 -1.2194513 -0.2859352 0.3669976 -0.1902810 -1.4668486 29 O -1.0545797 0.0448691 -0.2322823 0.0131595 -1.0399513 0.0453971 -0.1635886 0.0704510 -1.8437824 30 O -1.4377739 -0.4195471 0.0203585 -0.4990255 -1.5467961 0.0866905 -0.0120762 0.0160403 -1.0354914 31 O -1.0545797 -0.0448691 -0.2322823 -0.0131595 -1.0399513 -0.0453971 -0.1635886 -0.0704510 -1.8437824 32 O -1.6304585 0.3843616 0.1812727 0.4409013 -1.2864139 -0.1417052 0.1395236 -0.0567221 -1.0810622 33 O -1.2847127 -0.0238472 0.2364365 -0.2069068 -1.2194513 0.2859352 0.3669976 0.1902810 -1.4668486 34 O -1.6304585 -0.3843616 0.1812727 -0.4409013 -1.2864139 0.1417052 0.1395236 0.0567221 -1.0810622 35 O -1.5967522 -0.6151676 -0.6555557 -0.5750285 -1.3557273 -0.3236808 -0.6106777 -0.3478357 -1.5834380 36 O -1.0545797 0.0448691 -0.2322823 0.0131595 -1.0399513 0.0453971 -0.1635886 0.0704510 -1.8437824 37 O -1.3468851 0.0049987 0.3111770 -0.1286590 -1.1044806 0.1838577 0.4275433 0.0550336 -1.4405349 38 O -1.5967522 0.6151676 -0.6555557 0.5750285 -1.3557273 0.3236808 -0.6106777 0.3478357 -1.5834380 39 O -1.5967522 0.6151676 -0.6555557 0.5750285 -1.3557273 0.3236808 -0.6106777 0.3478357 -1.5834380 40 O -1.6555864 -0.1090321 0.3539291 -0.1250432 -1.0453989 0.0000486 0.0976122 -0.0182930 -1.2556229 41 O -1.2847127 -0.0238472 0.2364365 -0.2069068 -1.2194513 0.2859352 0.3669976 0.1902810 -1.4668486 42 O -1.6555864 0.1090321 0.3539291 0.1250432 -1.0453989 -0.0000486 0.0976122 0.0182930 -1.2556229 43 O -1.3118676 -0.5267466 -0.6308423 -0.5454570 -1.5372486 -0.4966565 -0.6103684 -0.4844908 -1.7085077 44 O -1.0926601 -0.2046969 -0.0957996 -0.1814290 -2.6626741 0.1921423 -0.0713243 0.1641409 -0.8708699 45 O -1.3468851 -0.0049987 0.3111770 0.1286590 -1.1044806 -0.1838577 0.4275433 -0.0550336 -1.4405349 46 O -1.3118676 0.5267466 -0.6308423 0.5454570 -1.5372486 0.4966565 -0.6103684 0.4844908 -1.7085077 47 O -1.0926601 0.2046969 -0.0957996 0.1814290 -2.6626741 -0.1921423 -0.0713243 -0.1641409 -0.8708699 48 O -1.5967522 -0.6151676 -0.6555557 -0.5750285 -1.3557273 -0.3236808 -0.6106777 -0.3478357 -1.5834380 49 O -1.0926601 -0.2046969 -0.0957996 -0.1814290 -2.6626741 0.1921423 -0.0713243 0.1641409 -0.8708699 50 O -1.3468851 0.0049987 0.3111770 -0.1286590 -1.1044806 0.1838577 0.4275433 0.0550336 -1.4405349 51 O -1.3118676 0.5267466 -0.6308423 0.5454570 -1.5372486 0.4966565 -0.6103684 0.4844908 -1.7085077 52 O -1.3118676 -0.5267466 -0.6308423 -0.5454570 -1.5372486 -0.4966565 -0.6103684 -0.4844908 -1.7085077 53 O -1.0545797 -0.0448691 -0.2322823 -0.0131595 -1.0399513 -0.0453971 -0.1635886 -0.0704510 -1.8437824 54 O -1.4377739 0.4195471 0.0203585 0.4990255 -1.5467961 -0.0866905 -0.0120762 -0.0160403 -1.0354914 55 O -1.6555864 0.1090321 0.3539291 0.1250432 -1.0453989 -0.0000486 0.0976122 0.0182930 -1.2556229 56 O -1.6304585 0.3843616 0.1812727 0.4409013 -1.2864139 -0.1417052 0.1395236 -0.0567221 -1.0810622 57 O -1.4377739 0.4195471 0.0203585 0.4990255 -1.5467961 -0.0866905 -0.0120762 -0.0160403 -1.0354914 58 O -1.3468851 -0.0049987 0.3111770 0.1286590 -1.1044806 -0.1838577 0.4275433 -0.0550336 -1.4405349 59 O -1.0926601 0.2046969 -0.0957996 0.1814290 -2.6626741 -0.1921423 -0.0713243 -0.1641409 -0.8708699 60 O -1.2847127 0.0238472 0.2364365 0.2069068 -1.2194513 -0.2859352 0.3669976 -0.1902810 -1.4668486 ---------------------------------------------------------------------------- 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 3, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 25, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 27, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 31, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 51, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 55, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 57, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 85, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 87, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:49:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:50:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.418991690608749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): 1 K 0.80333779075083 0.24465183196029 0.89985398326659 39.098 2 K 0.27017128724729 0.41788223387229 0.12023031381129 39.098 3 K 0.57470912846619 0.64188847197346 0.42032756427244 39.098 4 K 0.27017128724729 0.08211776612771 0.62023031381129 39.098 5 K 0.42529087153381 0.35811152802654 0.57967243572756 39.098 6 K 0.57470912846619 0.85811152802654 0.92032756427244 39.098 7 K 0.72982871275271 0.91788223387229 0.37976968618871 39.098 8 K 0.19666220924917 0.75534816803971 0.10014601673341 39.098 9 K 0.19666220924917 0.74465183196029 0.60014601673341 39.098 10 K 0.72982871275271 0.58211776612771 0.87976968618871 39.098 11 K 0.80333779075083 0.25534816803971 0.39985398326659 39.098 12 K 0.42529087153381 0.14188847197346 0.07967243572756 39.098 13 P 0.88999587646541 0.44463149785287 0.66482514160298 30.974 14 P 0.21651219480472 0.57056713903920 0.84459085466069 30.974 15 P 0.11000412353459 0.55536850214713 0.33517485839702 30.974 16 P 0.75127984864738 0.67121953051994 0.17800684780349 30.974 17 P 0.88999587646541 0.05536850214713 0.16482514160298 30.974 18 P 0.11000412353459 0.94463149785287 0.83517485839702 30.974 19 P 0.78348780519529 0.07056713903920 0.65540914533931 30.974 20 P 0.78348780519529 0.42943286096080 0.15540914533931 30.974 21 P 0.24872015135261 0.17121953051994 0.32199315219651 30.974 22 P 0.21651219480472 0.92943286096080 0.34459085466069 30.974 23 P 0.75127984864738 0.82878046948006 0.67800684780349 30.974 24 P 0.24872015135261 0.32878046948006 0.82199315219651 30.974 25 O 0.78389851092259 0.42619951517961 0.74520198024078 15.999 26 O 0.39362148039234 0.23708924776825 0.29264735171439 15.999 27 O 0.34663115908042 0.65975106962896 0.83291516169851 15.999 28 O 0.18328692999657 0.21058838214677 0.41725758067523 15.999 29 O 0.22919285460917 0.54922267087700 0.47091649191649 15.999 30 O 0.65336884091958 0.34024893037104 0.16708483830148 15.999 31 O 0.77080714539082 0.04922267087700 0.02908350808351 15.999 32 O 0.39362148039234 0.26291075223175 0.79264735171439 15.999 33 O 0.81671307000343 0.71058838214677 0.08274241932477 15.999 34 O 0.60637851960766 0.76291075223175 0.70735264828561 15.999 35 O 0.94167222068609 0.84912339620996 0.80926983781784 15.999 36 O 0.77080714539082 0.45077732912300 0.52908350808351 15.999 37 O 0.14055739197069 0.92303661450121 0.44158494103703 15.999 38 O 0.94167222068609 0.65087660379004 0.30926983781784 15.999 39 O 0.05832777931392 0.34912339620996 0.69073016218216 15.999 40 O 0.21610148907741 0.57380048482039 0.25479801975922 15.999 41 O 0.18328692999657 0.28941161785323 0.91725758067523 15.999 42 O 0.78389851092259 0.07380048482039 0.24520198024078 15.999 43 O 0.96944114350997 0.44562101862759 0.29031596089496 15.999 44 O 0.33654264192475 0.04567100414463 0.35515809336313 15.999 45 O 0.85944260802931 0.42303661450121 0.05841505896297 15.999 46 O 0.03055885649003 0.94562101862759 0.20968403910503 15.999 47 O 0.33654264192475 0.45432899585537 0.85515809336313 15.999 48 O 0.05832777931392 0.15087660379004 0.19073016218216 15.999 49 O 0.66345735807525 0.95432899585537 0.64484190663687 15.999 50 O 0.85944260802931 0.07696338549879 0.55841505896297 15.999 51 O 0.96944114350997 0.05437898137241 0.79031596089497 15.999 52 O 0.03055885649003 0.55437898137241 0.70968403910503 15.999 53 O 0.22919285460917 0.95077732912300 0.97091649191649 15.999 54 O 0.65336884091958 0.15975106962896 0.66708483830149 15.999 55 O 0.21610148907741 0.92619951517961 0.75479801975922 15.999 56 O 0.60637851960766 0.73708924776825 0.20735264828561 15.999 57 O 0.34663115908042 0.84024893037104 0.33291516169851 15.999 58 O 0.14055739197069 0.57696338549879 0.94158494103703 15.999 59 O 0.66345735807525 0.54567100414463 0.14484190663687 15.999 60 O 0.81671307000343 0.78941161785323 0.58274241932477 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.837983381217498 0.000000000000000 0.000000000000000 b 0.000000000000000 12.074633059999998 0.000000000000000 c -5.061115153060047 0.000000000000000 10.890973265631857 Atomic positions (fractional): 1 K 0.40166889537542 0.24465183196029 0.89985398326659 39.098 > 1 2 K 0.90166889537542 0.24465183196029 0.89985398326659 39.098 > 1 3 K 0.13508564362365 0.41788223387229 0.12023031381129 39.098 > 3 4 K 0.63508564362365 0.41788223387229 0.12023031381129 39.098 > 3 5 K 0.28735456423310 0.64188847197346 0.42032756427244 39.098 > 5 6 K 0.78735456423310 0.64188847197346 0.42032756427244 39.098 > 5 7 K 0.13508564362365 0.08211776612771 0.62023031381129 39.098 > 7 8 K 0.63508564362365 0.08211776612771 0.62023031381129 39.098 > 7 9 K 0.21264543576691 0.35811152802654 0.57967243572756 39.098 > 9 10 K 0.71264543576690 0.35811152802654 0.57967243572756 39.098 > 9 11 K 0.28735456423310 0.85811152802654 0.92032756427244 39.098 > 11 12 K 0.78735456423310 0.85811152802654 0.92032756427244 39.098 > 11 13 K 0.36491435637635 0.91788223387229 0.37976968618871 39.098 > 13 14 K 0.86491435637635 0.91788223387229 0.37976968618871 39.098 > 13 15 K 0.09833110462458 0.75534816803971 0.10014601673341 39.098 > 15 16 K 0.59833110462458 0.75534816803971 0.10014601673341 39.098 > 15 17 K 0.09833110462458 0.74465183196029 0.60014601673341 39.098 > 17 18 K 0.59833110462458 0.74465183196029 0.60014601673341 39.098 > 17 19 K 0.36491435637635 0.58211776612771 0.87976968618871 39.098 > 19 20 K 0.86491435637635 0.58211776612771 0.87976968618871 39.098 > 19 21 K 0.40166889537542 0.25534816803971 0.39985398326659 39.098 > 21 22 K 0.90166889537542 0.25534816803971 0.39985398326659 39.098 > 21 23 K 0.21264543576691 0.14188847197346 0.07967243572756 39.098 > 23 24 K 0.71264543576690 0.14188847197346 0.07967243572756 39.098 > 23 25 P 0.44499793823271 0.44463149785287 0.66482514160298 30.974 > 25 26 P 0.94499793823271 0.44463149785287 0.66482514160298 30.974 > 25 27 P 0.10825609740236 0.57056713903920 0.84459085466069 30.974 > 27 28 P 0.60825609740236 0.57056713903920 0.84459085466069 30.974 > 27 29 P 0.05500206176729 0.55536850214713 0.33517485839702 30.974 > 29 30 P 0.55500206176729 0.55536850214713 0.33517485839702 30.974 > 29 31 P 0.37563992432369 0.67121953051994 0.17800684780349 30.974 > 31 32 P 0.87563992432369 0.67121953051994 0.17800684780349 30.974 > 31 33 P 0.44499793823271 0.05536850214713 0.16482514160298 30.974 > 33 34 P 0.94499793823271 0.05536850214713 0.16482514160298 30.974 > 33 35 P 0.05500206176729 0.94463149785287 0.83517485839702 30.974 > 35 36 P 0.55500206176729 0.94463149785287 0.83517485839702 30.974 > 35 37 P 0.39174390259764 0.07056713903920 0.65540914533931 30.974 > 37 38 P 0.89174390259764 0.07056713903920 0.65540914533931 30.974 > 37 39 P 0.39174390259764 0.42943286096080 0.15540914533931 30.974 > 39 40 P 0.89174390259764 0.42943286096080 0.15540914533931 30.974 > 39 41 P 0.12436007567631 0.17121953051994 0.32199315219651 30.974 > 41 42 P 0.62436007567631 0.17121953051994 0.32199315219651 30.974 > 41 43 P 0.10825609740236 0.92943286096080 0.34459085466069 30.974 > 43 44 P 0.60825609740236 0.92943286096080 0.34459085466069 30.974 > 43 45 P 0.37563992432369 0.82878046948006 0.67800684780349 30.974 > 45 46 P 0.87563992432369 0.82878046948006 0.67800684780349 30.974 > 45 47 P 0.12436007567631 0.32878046948006 0.82199315219651 30.974 > 47 48 P 0.62436007567631 0.32878046948006 0.82199315219651 30.974 > 47 49 O 0.39194925546129 0.42619951517961 0.74520198024078 15.999 > 49 50 O 0.89194925546129 0.42619951517961 0.74520198024078 15.999 > 49 51 O 0.19681074019617 0.23708924776825 0.29264735171439 15.999 > 51 52 O 0.69681074019617 0.23708924776825 0.29264735171439 15.999 > 51 53 O 0.17331557954021 0.65975106962896 0.83291516169851 15.999 > 53 54 O 0.67331557954021 0.65975106962896 0.83291516169851 15.999 > 53 55 O 0.09164346499829 0.21058838214677 0.41725758067523 15.999 > 55 56 O 0.59164346499829 0.21058838214677 0.41725758067523 15.999 > 55 57 O 0.11459642730459 0.54922267087700 0.47091649191649 15.999 > 57 58 O 0.61459642730459 0.54922267087700 0.47091649191649 15.999 > 57 59 O 0.32668442045979 0.34024893037104 0.16708483830148 15.999 > 59 60 O 0.82668442045979 0.34024893037104 0.16708483830148 15.999 > 59 61 O 0.38540357269541 0.04922267087700 0.02908350808351 15.999 > 61 62 O 0.88540357269541 0.04922267087700 0.02908350808351 15.999 > 61 63 O 0.19681074019617 0.26291075223175 0.79264735171439 15.999 > 63 64 O 0.69681074019617 0.26291075223175 0.79264735171439 15.999 > 63 65 O 0.40835653500171 0.71058838214677 0.08274241932477 15.999 > 65 66 O 0.90835653500171 0.71058838214677 0.08274241932477 15.999 > 65 67 O 0.30318925980383 0.76291075223175 0.70735264828561 15.999 > 67 68 O 0.80318925980383 0.76291075223175 0.70735264828561 15.999 > 67 69 O 0.47083611034304 0.84912339620996 0.80926983781784 15.999 > 69 70 O 0.97083611034304 0.84912339620996 0.80926983781784 15.999 > 69 71 O 0.38540357269541 0.45077732912300 0.52908350808351 15.999 > 71 72 O 0.88540357269541 0.45077732912300 0.52908350808351 15.999 > 71 73 O 0.07027869598535 0.92303661450121 0.44158494103703 15.999 > 73 74 O 0.57027869598534 0.92303661450121 0.44158494103703 15.999 > 73 75 O 0.47083611034304 0.65087660379004 0.30926983781784 15.999 > 75 76 O 0.97083611034304 0.65087660379004 0.30926983781784 15.999 > 75 77 O 0.02916388965696 0.34912339620996 0.69073016218216 15.999 > 77 78 O 0.52916388965696 0.34912339620996 0.69073016218216 15.999 > 77 79 O 0.10805074453871 0.57380048482039 0.25479801975922 15.999 > 79 80 O 0.60805074453871 0.57380048482039 0.25479801975922 15.999 > 79 81 O 0.09164346499829 0.28941161785323 0.91725758067523 15.999 > 81 82 O 0.59164346499829 0.28941161785323 0.91725758067523 15.999 > 81 83 O 0.39194925546129 0.07380048482039 0.24520198024078 15.999 > 83 84 O 0.89194925546129 0.07380048482039 0.24520198024078 15.999 > 83 85 O 0.48472057175499 0.44562101862759 0.29031596089496 15.999 > 85 86 O 0.98472057175499 0.44562101862759 0.29031596089496 15.999 > 85 87 O 0.16827132096237 0.04567100414463 0.35515809336313 15.999 > 87 88 O 0.66827132096237 0.04567100414463 0.35515809336313 15.999 > 87 89 O 0.42972130401466 0.42303661450121 0.05841505896297 15.999 > 89 90 O 0.92972130401466 0.42303661450121 0.05841505896297 15.999 > 89 91 O 0.01527942824501 0.94562101862759 0.20968403910503 15.999 > 91 92 O 0.51527942824501 0.94562101862759 0.20968403910503 15.999 > 91 93 O 0.16827132096237 0.45432899585537 0.85515809336313 15.999 > 93 94 O 0.66827132096237 0.45432899585537 0.85515809336313 15.999 > 93 95 O 0.02916388965696 0.15087660379004 0.19073016218216 15.999 > 95 96 O 0.52916388965696 0.15087660379004 0.19073016218216 15.999 > 95 97 O 0.33172867903763 0.95432899585537 0.64484190663687 15.999 > 97 98 O 0.83172867903763 0.95432899585537 0.64484190663687 15.999 > 97 99 O 0.42972130401466 0.07696338549879 0.55841505896297 15.999 > 99 100 O 0.92972130401466 0.07696338549879 0.55841505896297 15.999 > 99 101 O 0.48472057175499 0.05437898137241 0.79031596089497 15.999 > 101 102 O 0.98472057175499 0.05437898137241 0.79031596089497 15.999 > 101 103 O 0.01527942824501 0.55437898137241 0.70968403910503 15.999 > 103 104 O 0.51527942824501 0.55437898137241 0.70968403910503 15.999 > 103 105 O 0.11459642730459 0.95077732912300 0.97091649191649 15.999 > 105 106 O 0.61459642730459 0.95077732912300 0.97091649191649 15.999 > 105 107 O 0.32668442045979 0.15975106962896 0.66708483830149 15.999 > 107 108 O 0.82668442045979 0.15975106962896 0.66708483830149 15.999 > 107 109 O 0.10805074453871 0.92619951517961 0.75479801975922 15.999 > 109 110 O 0.60805074453871 0.92619951517961 0.75479801975922 15.999 > 109 111 O 0.30318925980383 0.73708924776825 0.20735264828561 15.999 > 111 112 O 0.80318925980383 0.73708924776825 0.20735264828561 15.999 > 111 113 O 0.17331557954021 0.84024893037104 0.33291516169851 15.999 > 113 114 O 0.67331557954021 0.84024893037104 0.33291516169851 15.999 > 113 115 O 0.07027869598535 0.57696338549879 0.94158494103703 15.999 > 115 116 O 0.57027869598534 0.57696338549879 0.94158494103703 15.999 > 115 117 O 0.33172867903763 0.54567100414463 0.14484190663687 15.999 > 117 118 O 0.83172867903763 0.54567100414463 0.14484190663687 15.999 > 117 119 O 0.40835653500171 0.78941161785323 0.58274241932477 15.999 > 119 120 O 0.90835653500171 0.78941161785323 0.58274241932477 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2752295 0.0000000 0.0162994 0.0000000 2.2774994 0.0000000 0.0162991 0.0000000 2.2655859 -------------------------- Born effective charges -------------------------- 1 K 1.2317915 0.0096206 -0.0791671 -0.0198602 1.2254746 0.0736245 -0.1123496 -0.0065860 1.2557870 2 K 1.2917250 -0.0969754 -0.1222304 -0.0542664 1.0967823 -0.0583897 -0.0750854 -0.0233991 1.2141398 3 K 1.2201993 -0.0049707 0.1022283 -0.0205655 1.2338790 0.0363658 0.1504507 -0.0505597 1.2296770 4 K 1.2917250 0.0969754 -0.1222304 0.0542664 1.0967823 0.0583897 -0.0750854 0.0233991 1.2141398 5 K 1.2201993 -0.0049707 0.1022283 -0.0205655 1.2338790 0.0363658 0.1504507 -0.0505597 1.2296770 6 K 1.2201993 0.0049707 0.1022283 0.0205655 1.2338790 -0.0363658 0.1504507 0.0505597 1.2296770 7 K 1.2917250 0.0969754 -0.1222304 0.0542664 1.0967823 0.0583897 -0.0750854 0.0233991 1.2141398 8 K 1.2317915 0.0096206 -0.0791671 -0.0198602 1.2254746 0.0736245 -0.1123496 -0.0065860 1.2557870 9 K 1.2317915 -0.0096206 -0.0791671 0.0198602 1.2254746 -0.0736245 -0.1123496 0.0065860 1.2557870 10 K 1.2917250 -0.0969754 -0.1222304 -0.0542664 1.0967823 -0.0583897 -0.0750854 -0.0233991 1.2141398 11 K 1.2317915 -0.0096206 -0.0791671 0.0198602 1.2254746 -0.0736245 -0.1123496 0.0065860 1.2557870 12 K 1.2201993 0.0049707 0.1022283 0.0205655 1.2338790 -0.0363658 0.1504507 0.0505597 1.2296770 13 P 3.0583809 0.0571861 0.2046251 0.0846457 2.7318057 0.0358748 0.6295012 0.0689411 2.9939119 14 P 2.7914140 0.2550104 0.1913697 0.0114312 3.2510074 0.4168981 -0.0635916 0.1426238 2.8185138 15 P 3.0583809 0.0571861 0.2046251 0.0846457 2.7318057 0.0358748 0.6295012 0.0689411 2.9939119 16 P 2.8177655 -0.4162440 0.2144801 -0.0588396 3.2591932 -0.2060402 -0.0925668 -0.0606013 2.7741285 17 P 3.0583809 -0.0571861 0.2046251 -0.0846457 2.7318057 -0.0358748 0.6295012 -0.0689411 2.9939119 18 P 3.0583809 -0.0571861 0.2046251 -0.0846457 2.7318057 -0.0358748 0.6295012 -0.0689411 2.9939119 19 P 2.7914140 -0.2550104 0.1913697 -0.0114312 3.2510074 -0.4168981 -0.0635916 -0.1426238 2.8185138 20 P 2.7914140 0.2550104 0.1913697 0.0114312 3.2510074 0.4168981 -0.0635916 0.1426238 2.8185138 21 P 2.8177655 0.4162440 0.2144801 0.0588396 3.2591932 0.2060402 -0.0925668 0.0606013 2.7741285 22 P 2.7914140 -0.2550104 0.1913697 -0.0114312 3.2510074 -0.4168981 -0.0635916 -0.1426238 2.8185138 23 P 2.8177655 0.4162440 0.2144801 0.0588396 3.2591932 0.2060402 -0.0925668 0.0606013 2.7741285 24 P 2.8177655 -0.4162440 0.2144801 -0.0588396 3.2591932 -0.2060402 -0.0925668 -0.0606013 2.7741285 25 O -1.6555864 -0.1090321 0.3539291 -0.1250432 -1.0453989 0.0000486 0.0976122 -0.0182930 -1.2556229 26 O -1.6304585 -0.3843616 0.1812727 -0.4409013 -1.2864139 0.1417052 0.1395236 0.0567221 -1.0810622 27 O -1.4377739 -0.4195471 0.0203585 -0.4990255 -1.5467961 0.0866905 -0.0120762 0.0160403 -1.0354914 28 O -1.2847127 0.0238472 0.2364365 0.2069068 -1.2194513 -0.2859352 0.3669976 -0.1902810 -1.4668486 29 O -1.0545797 0.0448691 -0.2322823 0.0131595 -1.0399513 0.0453971 -0.1635886 0.0704510 -1.8437824 30 O -1.4377739 -0.4195471 0.0203585 -0.4990255 -1.5467961 0.0866905 -0.0120762 0.0160403 -1.0354914 31 O -1.0545797 -0.0448691 -0.2322823 -0.0131595 -1.0399513 -0.0453971 -0.1635886 -0.0704510 -1.8437824 32 O -1.6304585 0.3843616 0.1812727 0.4409013 -1.2864139 -0.1417052 0.1395236 -0.0567221 -1.0810622 33 O -1.2847127 -0.0238472 0.2364365 -0.2069068 -1.2194513 0.2859352 0.3669976 0.1902810 -1.4668486 34 O -1.6304585 -0.3843616 0.1812727 -0.4409013 -1.2864139 0.1417052 0.1395236 0.0567221 -1.0810622 35 O -1.5967522 -0.6151676 -0.6555557 -0.5750285 -1.3557273 -0.3236808 -0.6106777 -0.3478357 -1.5834380 36 O -1.0545797 0.0448691 -0.2322823 0.0131595 -1.0399513 0.0453971 -0.1635886 0.0704510 -1.8437824 37 O -1.3468851 0.0049987 0.3111770 -0.1286590 -1.1044806 0.1838577 0.4275433 0.0550336 -1.4405349 38 O -1.5967522 0.6151676 -0.6555557 0.5750285 -1.3557273 0.3236808 -0.6106777 0.3478357 -1.5834380 39 O -1.5967522 0.6151676 -0.6555557 0.5750285 -1.3557273 0.3236808 -0.6106777 0.3478357 -1.5834380 40 O -1.6555864 -0.1090321 0.3539291 -0.1250432 -1.0453989 0.0000486 0.0976122 -0.0182930 -1.2556229 41 O -1.2847127 -0.0238472 0.2364365 -0.2069068 -1.2194513 0.2859352 0.3669976 0.1902810 -1.4668486 42 O -1.6555864 0.1090321 0.3539291 0.1250432 -1.0453989 -0.0000486 0.0976122 0.0182930 -1.2556229 43 O -1.3118676 -0.5267466 -0.6308423 -0.5454570 -1.5372486 -0.4966565 -0.6103684 -0.4844908 -1.7085077 44 O -1.0926601 -0.2046969 -0.0957996 -0.1814290 -2.6626741 0.1921423 -0.0713243 0.1641409 -0.8708699 45 O -1.3468851 -0.0049987 0.3111770 0.1286590 -1.1044806 -0.1838577 0.4275433 -0.0550336 -1.4405349 46 O -1.3118676 0.5267466 -0.6308423 0.5454570 -1.5372486 0.4966565 -0.6103684 0.4844908 -1.7085077 47 O -1.0926601 0.2046969 -0.0957996 0.1814290 -2.6626741 -0.1921423 -0.0713243 -0.1641409 -0.8708699 48 O -1.5967522 -0.6151676 -0.6555557 -0.5750285 -1.3557273 -0.3236808 -0.6106777 -0.3478357 -1.5834380 49 O -1.0926601 -0.2046969 -0.0957996 -0.1814290 -2.6626741 0.1921423 -0.0713243 0.1641409 -0.8708699 50 O -1.3468851 0.0049987 0.3111770 -0.1286590 -1.1044806 0.1838577 0.4275433 0.0550336 -1.4405349 51 O -1.3118676 0.5267466 -0.6308423 0.5454570 -1.5372486 0.4966565 -0.6103684 0.4844908 -1.7085077 52 O -1.3118676 -0.5267466 -0.6308423 -0.5454570 -1.5372486 -0.4966565 -0.6103684 -0.4844908 -1.7085077 53 O -1.0545797 -0.0448691 -0.2322823 -0.0131595 -1.0399513 -0.0453971 -0.1635886 -0.0704510 -1.8437824 54 O -1.4377739 0.4195471 0.0203585 0.4990255 -1.5467961 -0.0866905 -0.0120762 -0.0160403 -1.0354914 55 O -1.6555864 0.1090321 0.3539291 0.1250432 -1.0453989 -0.0000486 0.0976122 0.0182930 -1.2556229 56 O -1.6304585 0.3843616 0.1812727 0.4409013 -1.2864139 -0.1417052 0.1395236 -0.0567221 -1.0810622 57 O -1.4377739 0.4195471 0.0203585 0.4990255 -1.5467961 -0.0866905 -0.0120762 -0.0160403 -1.0354914 58 O -1.3468851 -0.0049987 0.3111770 0.1286590 -1.1044806 -0.1838577 0.4275433 -0.0550336 -1.4405349 59 O -1.0926601 0.2046969 -0.0957996 0.1814290 -2.6626741 -0.1921423 -0.0713243 -0.1641409 -0.8708699 60 O -1.2847127 0.0238472 0.2364365 0.2069068 -1.2194513 -0.2859352 0.3669976 -0.1902810 -1.4668486 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 7 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 291, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 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 1.437 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.253 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 10.913 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 10.930 ( 0.000 0.000 0.000) 0.000 13.283 ( 0.000 0.000 0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 14.304 ( 0.000 0.000 0.000) 0.000 14.338 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.437 ( 0.000 0.000 0.000) 0.000 14.559 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.726 ( 0.000 0.000 0.000) 0.000 14.784 ( 0.000 0.000 0.000) 0.000 14.857 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 15.043 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.119 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.208 ( 0.000 0.000 0.000) 0.000 15.259 ( 0.000 0.000 0.000) 0.000 18.014 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.038 ( 0.000 0.000 0.000) 0.000 18.051 ( 0.000 0.000 0.000) 0.000 19.075 ( 0.000 0.000 0.000) 0.000 19.078 ( 0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 19.182 ( 0.000 0.000 0.000) 0.000 21.380 ( 0.000 0.000 0.000) 0.000 21.621 ( 0.000 0.000 0.000) 0.000 21.838 ( 0.000 0.000 0.000) 0.000 22.000 ( 0.000 0.000 0.000) 0.000 22.008 ( 0.000 0.000 0.000) 0.000 22.129 ( 0.000 0.000 0.000) 0.000 22.156 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 23.970 ( 0.000 0.000 0.000) 0.000 23.980 ( 0.000 0.000 0.000) 0.000 23.981 ( 0.000 0.000 0.000) 0.000 23.985 ( 0.000 0.000 0.000) 0.000 27.354 ( 0.000 0.000 0.000) 0.000 27.489 ( 0.000 0.000 0.000) 0.000 27.598 ( 0.000 0.000 0.000) 0.000 27.736 ( 0.000 0.000 0.000) 0.000 27.742 ( 0.000 0.000 0.000) 0.000 28.093 ( 0.000 0.000 0.000) 0.000 28.210 ( 0.000 0.000 0.000) 0.000 28.840 ( 0.000 0.000 0.000) 0.000 31.513 ( 0.000 0.000 0.000) 0.000 31.555 ( 0.000 0.000 0.000) 0.000 31.583 ( 0.000 0.000 0.000) 0.000 31.601 ( 0.000 0.000 0.000) 0.000 31.632 ( 0.000 0.000 0.000) 0.000 31.732 ( 0.000 0.000 0.000) 0.000 31.835 ( 0.000 0.000 0.000) 0.000 32.029 ( 0.000 0.000 0.000) 0.000 33.306 ( 0.000 0.000 0.000) 0.000 33.315 ( 0.000 0.000 0.000) 0.000 33.335 ( 0.000 0.000 0.000) 0.000 33.429 ( 0.000 0.000 0.000) 0.000 36.429 ( 0.000 0.000 0.000) 0.000 36.507 ( 0.000 0.000 0.000) 0.000 36.507 ( 0.000 0.000 0.000) 0.000 36.588 ( 0.000 0.000 0.000) 0.000 36.606 ( 0.000 0.000 0.000) 0.000 36.636 ( 0.000 0.000 0.000) 0.000 36.661 ( 0.000 0.000 0.000) 0.000 36.891 ( 0.000 0.000 0.000) 0.000 36.949 ( 0.000 0.000 0.000) 0.000 37.099 ( 0.000 0.000 0.000) 0.000 37.298 ( 0.000 0.000 0.000) 0.000 37.446 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 15.986 0.000 17.085) 23.397 0.453 ( 22.803 0.000 2.417) 22.930 1.005 ( 39.994 0.000 17.014) 43.462 1.380 ( 1.398 0.000 -3.363) 3.642 1.481 ( 6.107 0.000 -3.984) 7.292 1.522 ( 5.085 0.000 1.421) 5.280 1.568 ( 2.711 0.000 -6.594) 7.129 1.595 ( -1.059 0.000 -5.792) 5.888 1.621 ( 3.199 0.000 -0.151) 3.202 1.704 ( 8.092 0.000 3.950) 9.004 1.780 ( -4.238 0.000 1.193) 4.403 1.940 ( -0.796 0.000 -3.433) 3.524 1.978 ( 3.851 0.000 -1.036) 3.988 2.074 ( 7.324 0.000 8.250) 11.032 2.089 ( -0.203 0.000 -6.285) 6.288 2.123 ( 2.382 0.000 -3.960) 4.621 2.157 ( 9.684 0.000 -1.623) 9.819 2.257 ( 3.647 0.000 7.570) 8.403 2.318 ( 0.700 0.000 -4.223) 4.281 2.385 ( -2.068 0.000 -2.218) 3.032 2.454 ( -0.209 0.000 -1.000) 1.022 2.523 ( 1.256 0.000 -2.520) 2.815 2.527 ( -0.305 0.000 -0.219) 0.375 2.547 ( 2.250 0.000 -6.240) 6.633 2.665 ( -3.600 0.000 -5.660) 6.708 2.690 ( 7.669 0.000 -1.672) 7.849 2.719 ( 2.392 0.000 0.682) 2.488 2.763 ( 2.801 0.000 13.479) 13.767 2.825 ( 2.093 0.000 -0.506) 2.153 2.896 ( -1.014 0.000 0.533) 1.145 3.083 ( -0.998 0.000 -1.510) 1.810 3.126 ( -1.611 0.000 -1.980) 2.553 3.136 ( -4.561 0.000 -6.082) 7.602 3.261 ( -2.053 0.000 0.651) 2.154 3.306 ( -3.380 0.000 -1.844) 3.850 3.369 ( 2.805 0.000 0.250) 2.817 3.439 ( -2.143 0.000 2.243) 3.102 3.488 ( 0.221 0.000 3.254) 3.261 3.524 ( -0.956 0.000 1.627) 1.887 3.529 ( -2.193 0.000 -0.923) 2.379 3.679 ( -0.828 0.000 0.805) 1.155 3.696 ( -2.932 0.000 -2.306) 3.730 3.725 ( -0.802 0.000 1.217) 1.458 3.801 ( 1.312 0.000 4.207) 4.407 3.836 ( -2.869 0.000 -6.006) 6.656 3.879 ( -1.730 0.000 -3.572) 3.969 3.894 ( -0.607 0.000 -2.393) 2.469 3.922 ( 0.188 0.000 4.067) 4.072 4.024 ( 0.949 0.000 -6.994) 7.058 4.075 ( -0.094 0.000 8.712) 8.713 4.116 ( -3.306 0.000 -4.304) 5.428 4.155 ( -4.313 0.000 6.114) 7.482 4.234 ( -2.566 0.000 -1.695) 3.075 4.379 ( 1.938 0.000 -0.628) 2.037 4.440 ( 0.964 0.000 -1.343) 1.654 4.507 ( 4.631 0.000 4.258) 6.291 4.546 ( 5.528 0.000 -15.149) 16.126 4.611 ( -8.221 0.000 12.452) 14.921 4.691 ( 3.666 0.000 3.653) 5.175 4.691 ( 0.034 0.000 2.753) 2.753 4.787 ( 0.316 0.000 3.614) 3.628 4.807 ( -10.505 0.000 -7.089) 12.673 4.908 ( 2.116 0.000 1.451) 2.566 4.949 ( -3.181 0.000 -4.343) 5.384 5.431 ( 9.720 0.000 6.899) 11.920 5.449 ( -2.102 0.000 -3.927) 4.454 5.686 ( -2.553 0.000 -0.997) 2.740 5.689 ( -1.415 0.000 -1.016) 1.742 5.792 ( 3.194 0.000 -8.093) 8.701 5.823 ( -1.575 0.000 -4.310) 4.589 5.913 ( 0.747 0.000 0.086) 0.752 6.013 ( -0.088 0.000 1.318) 1.321 8.150 ( 0.374 0.000 -1.321) 1.373 8.151 ( 0.597 0.000 0.486) 0.770 8.260 ( 0.287 0.000 0.361) 0.462 8.262 ( -0.263 0.000 0.047) 0.267 8.507 ( 0.197 0.000 0.530) 0.566 8.510 ( -0.108 0.000 -0.299) 0.317 8.550 ( 0.591 0.000 0.140) 0.607 8.568 ( 0.279 0.000 0.117) 0.303 8.604 ( 0.691 0.000 0.384) 0.790 8.642 ( 0.057 0.000 2.248) 2.249 8.662 ( -2.620 0.000 -1.615) 3.078 8.740 ( -0.621 0.000 0.226) 0.661 8.961 ( -0.457 0.000 -0.515) 0.689 9.002 ( -0.328 0.000 -0.578) 0.665 9.025 ( 0.879 0.000 1.607) 1.831 9.082 ( -1.922 0.000 -0.412) 1.965 9.240 ( 0.319 0.000 0.118) 0.340 9.260 ( 0.628 0.000 0.085) 0.634 9.393 ( -1.452 0.000 0.072) 1.454 9.492 ( -2.541 0.000 2.506) 3.569 10.281 ( 1.571 0.000 0.790) 1.758 10.308 ( 1.456 0.000 -1.219) 1.899 10.331 ( 1.036 0.000 -1.577) 1.886 10.373 ( 1.990 0.000 0.115) 1.993 10.501 ( -0.482 0.000 0.177) 0.514 10.554 ( -1.133 0.000 1.942) 2.248 10.567 ( 0.634 0.000 -0.570) 0.853 10.604 ( -0.873 0.000 1.732) 1.939 10.882 ( -1.547 0.000 0.516) 1.631 10.900 ( -1.400 0.000 0.076) 1.402 10.910 ( -0.284 0.000 -0.762) 0.813 10.942 ( 0.092 0.000 -0.105) 0.140 13.283 ( 0.256 0.000 -0.387) 0.464 13.302 ( -0.250 0.000 -0.779) 0.818 13.368 ( 0.139 0.000 0.310) 0.340 13.373 ( 0.071 0.000 0.153) 0.169 14.300 ( -0.104 0.000 -0.093) 0.139 14.307 ( -0.828 0.000 -0.900) 1.223 14.365 ( 0.457 0.000 0.752) 0.880 14.407 ( 0.286 0.000 -0.023) 0.287 14.455 ( 0.923 0.000 1.944) 2.152 14.543 ( -1.407 0.000 -0.580) 1.522 14.590 ( 1.046 0.000 1.450) 1.788 14.672 ( -1.908 0.000 -2.166) 2.887 14.725 ( 0.288 0.000 0.131) 0.316 14.769 ( -0.670 0.000 -1.243) 1.412 14.864 ( 0.732 0.000 0.214) 0.762 14.866 ( 0.187 0.000 -0.105) 0.214 15.059 ( 1.113 0.000 -0.560) 1.245 15.090 ( -1.392 0.000 0.659) 1.540 15.090 ( -2.760 0.000 5.960) 6.568 15.133 ( -0.357 0.000 -1.628) 1.666 15.142 ( -0.680 0.000 -1.809) 1.933 15.186 ( -1.540 0.000 -0.589) 1.649 15.194 ( -3.949 0.000 -1.150) 4.113 15.305 ( -3.494 0.000 8.883) 9.545 18.011 ( 0.067 0.000 0.339) 0.345 18.019 ( 0.330 0.000 0.046) 0.333 18.047 ( -0.556 0.000 0.284) 0.625 18.054 ( 0.931 0.000 0.041) 0.931 19.084 ( 1.196 0.000 -0.685) 1.378 19.089 ( 1.481 0.000 -0.779) 1.673 19.182 ( 2.385 0.000 -5.461) 5.960 19.201 ( 1.305 0.000 1.085) 1.697 21.587 ( -2.938 0.000 -0.562) 2.991 21.754 ( -5.882 0.000 11.346) 12.780 21.871 ( -0.510 0.000 6.724) 6.743 21.968 ( -1.367 0.000 -0.365) 1.415 22.054 ( 2.953 0.000 -0.302) 2.968 22.111 ( -0.797 0.000 -2.078) 2.225 22.151 ( -0.654 0.000 0.447) 0.792 22.307 ( -0.714 0.000 -0.539) 0.894 23.945 ( -0.746 0.000 -0.861) 1.139 23.951 ( -0.690 0.000 -0.904) 1.137 24.010 ( 0.679 0.000 0.909) 1.134 24.010 ( 0.756 0.000 0.852) 1.139 27.419 ( 4.057 0.000 4.211) 5.847 27.510 ( 1.070 0.000 0.378) 1.134 27.710 ( -0.542 0.000 -2.172) 2.239 27.724 ( 0.206 0.000 -3.650) 3.655 28.041 ( -5.351 0.000 -2.677) 5.983 28.175 ( -2.180 0.000 0.269) 2.197 28.564 ( -14.403 0.000 27.190) 30.769 28.797 ( -9.178 0.000 0.350) 9.185 31.498 ( -0.962 0.000 -0.995) 1.384 31.547 ( -1.556 0.000 1.557) 2.201 31.588 ( -0.965 0.000 -0.690) 1.186 31.618 ( -1.004 0.000 -0.779) 1.271 31.695 ( -1.436 0.000 -4.052) 4.299 31.807 ( -2.046 0.000 -1.010) 2.282 31.913 ( -3.241 0.000 1.562) 3.597 32.309 ( -14.919 0.000 32.297) 35.576 33.334 ( 2.707 0.000 -0.398) 2.736 33.336 ( 0.975 0.000 -1.680) 1.942 33.364 ( 2.746 0.000 -4.199) 5.017 33.429 ( -0.435 0.000 1.093) 1.177 36.455 ( -3.234 0.000 -1.648) 3.629 36.513 ( -4.279 0.000 7.734) 8.839 36.533 ( -0.660 0.000 4.138) 4.191 36.594 ( -0.102 0.000 -1.886) 1.889 36.598 ( 0.565 0.000 0.078) 0.570 36.641 ( -0.725 0.000 1.503) 1.668 36.686 ( 4.111 0.000 -4.161) 5.849 36.929 ( -3.903 0.000 -1.495) 4.179 37.056 ( -2.361 0.000 -1.062) 2.589 37.111 ( 3.399 0.000 -5.314) 6.308 37.315 ( 22.809 0.000 -47.195) 52.417 37.812 ( 17.052 0.000 11.156) 20.377 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 18.400 0.000 3.403) 18.712 0.891 ( 14.066 0.000 13.609) 19.572 1.325 ( -4.889 0.000 -2.954) 5.712 1.501 ( 2.058 0.000 -10.760) 10.955 1.534 ( -0.655 0.000 0.735) 0.985 1.600 ( 12.795 0.000 -3.013) 13.145 1.647 ( 8.193 0.000 -0.681) 8.221 1.711 ( 6.351 0.000 2.296) 6.754 1.727 ( 6.013 0.000 0.708) 6.055 1.786 ( 1.969 0.000 1.585) 2.527 1.883 ( 2.734 0.000 1.280) 3.019 1.972 ( 2.456 0.000 -0.841) 2.596 2.018 ( 9.226 0.000 -6.422) 11.241 2.100 ( 11.869 0.000 1.753) 11.998 2.195 ( 1.971 0.000 2.537) 3.213 2.208 ( 0.148 0.000 -9.873) 9.874 2.286 ( 4.752 0.000 2.354) 5.303 2.300 ( 1.125 0.000 -5.680) 5.791 2.306 ( 7.800 0.000 -0.524) 7.817 2.425 ( 4.865 0.000 7.200) 8.690 2.476 ( 1.679 0.000 -2.334) 2.875 2.509 ( 2.489 0.000 2.316) 3.400 2.525 ( 0.996 0.000 0.037) 0.997 2.573 ( 4.158 0.000 -3.185) 5.238 2.689 ( 7.979 0.000 1.352) 8.093 2.758 ( 0.054 0.000 -0.190) 0.198 2.759 ( -3.285 0.000 2.930) 4.402 2.807 ( 1.301 0.000 2.862) 3.144 2.892 ( 5.055 0.000 -2.103) 5.475 2.977 ( -3.214 0.000 -7.011) 7.713 3.041 ( 2.933 0.000 0.590) 2.992 3.078 ( 2.471 0.000 3.706) 4.454 3.159 ( 2.864 0.000 6.413) 7.023 3.191 ( -5.388 0.000 -2.019) 5.754 3.225 ( -2.285 0.000 1.545) 2.758 3.371 ( -4.602 0.000 -0.567) 4.636 3.408 ( -4.473 0.000 -1.441) 4.700 3.411 ( -7.326 0.000 -2.278) 7.672 3.479 ( -2.650 0.000 -0.649) 2.728 3.513 ( -1.982 0.000 1.557) 2.520 3.571 ( -3.390 0.000 -2.408) 4.158 3.586 ( -5.486 0.000 -0.111) 5.487 3.625 ( -6.640 0.000 -1.593) 6.829 3.766 ( -3.054 0.000 -2.572) 3.993 3.790 ( 2.487 0.000 -3.244) 4.088 3.835 ( -1.211 0.000 -4.264) 4.432 3.895 ( -4.715 0.000 -0.177) 4.718 3.943 ( 7.501 0.000 3.821) 8.419 4.044 ( 0.316 0.000 3.210) 3.225 4.055 ( -0.666 0.000 -0.799) 1.040 4.128 ( -3.051 0.000 3.992) 5.025 4.160 ( -2.925 0.000 0.792) 3.030 4.239 ( 4.786 0.000 3.355) 5.845 4.401 ( -3.376 0.000 -6.435) 7.266 4.473 ( 0.214 0.000 -10.439) 10.441 4.475 ( 4.867 0.000 6.812) 8.372 4.524 ( -8.038 0.000 4.573) 9.248 4.605 ( 1.937 0.000 4.261) 4.681 4.645 ( -2.204 0.000 -1.337) 2.578 4.723 ( 1.518 0.000 -0.079) 1.520 4.760 ( -0.254 0.000 2.571) 2.583 4.818 ( -5.361 0.000 -3.879) 6.617 4.848 ( 3.510 0.000 2.166) 4.124 4.974 ( 1.452 0.000 4.893) 5.104 5.356 ( -2.877 0.000 -4.292) 5.168 5.612 ( -1.486 0.000 -5.562) 5.757 5.623 ( 5.002 0.000 3.666) 6.202 5.686 ( 0.395 0.000 2.689) 2.718 5.740 ( -4.559 0.000 -2.344) 5.127 5.773 ( -0.734 0.000 0.002) 0.734 5.933 ( 1.637 0.000 -1.485) 2.210 6.009 ( -0.512 0.000 0.027) 0.512 8.155 ( 1.200 0.000 -0.994) 1.558 8.173 ( 0.893 0.000 0.813) 1.208 8.251 ( -1.188 0.000 -0.414) 1.258 8.259 ( -0.030 0.000 -0.006) 0.031 8.515 ( 0.709 0.000 0.316) 0.776 8.530 ( 1.096 0.000 0.938) 1.443 8.555 ( 0.024 0.000 -0.319) 0.320 8.577 ( 0.284 0.000 1.030) 1.069 8.602 ( -2.028 0.000 -1.197) 2.355 8.625 ( 0.793 0.000 -0.004) 0.793 8.657 ( -0.167 0.000 1.517) 1.526 8.707 ( -2.410 0.000 -0.824) 2.547 8.960 ( 0.386 0.000 0.270) 0.471 8.992 ( -0.082 0.000 -0.649) 0.654 9.036 ( -2.016 0.000 -0.508) 2.079 9.042 ( -0.303 0.000 0.853) 0.906 9.254 ( 0.932 0.000 0.374) 1.004 9.274 ( 0.702 0.000 -0.042) 0.703 9.360 ( -1.723 0.000 0.024) 1.723 9.457 ( -2.339 0.000 0.430) 2.378 10.311 ( 1.412 0.000 -0.173) 1.423 10.330 ( 2.002 0.000 -1.572) 2.545 10.340 ( 0.688 0.000 -0.220) 0.722 10.427 ( 1.813 0.000 0.825) 1.991 10.507 ( 1.018 0.000 1.406) 1.735 10.551 ( -0.131 0.000 0.261) 0.292 10.579 ( 1.212 0.000 -0.675) 1.388 10.599 ( -1.234 0.000 1.854) 2.228 10.859 ( -1.123 0.000 0.309) 1.165 10.879 ( -0.647 0.000 -0.057) 0.649 10.890 ( -0.981 0.000 -0.433) 1.072 10.931 ( -1.200 0.000 0.077) 1.203 13.285 ( 0.168 0.000 -0.320) 0.361 13.292 ( 0.069 0.000 -0.775) 0.778 13.372 ( -0.202 0.000 0.024) 0.203 13.376 ( 0.391 0.000 0.291) 0.488 14.295 ( -0.029 0.000 -0.012) 0.032 14.306 ( 0.498 0.000 0.698) 0.857 14.373 ( 0.025 0.000 0.237) 0.239 14.398 ( -0.781 0.000 -0.948) 1.228 14.499 ( -1.997 0.000 -0.820) 2.159 14.499 ( 1.276 0.000 2.487) 2.796 14.593 ( -3.029 0.000 -3.376) 4.536 14.636 ( 1.995 0.000 1.443) 2.463 14.741 ( -1.021 0.000 -1.462) 1.783 14.746 ( 1.315 0.000 0.261) 1.340 14.871 ( 0.271 0.000 0.006) 0.271 14.889 ( 1.315 0.000 0.574) 1.434 14.937 ( -7.807 0.000 -6.608) 10.228 15.077 ( 0.852 0.000 -0.745) 1.132 15.088 ( -1.324 0.000 2.190) 2.559 15.107 ( -0.992 0.000 -2.715) 2.891 15.123 ( -0.414 0.000 1.033) 1.113 15.146 ( -1.633 0.000 0.034) 1.634 15.180 ( 0.207 0.000 1.422) 1.437 15.319 ( -0.846 0.000 3.277) 3.384 18.025 ( -0.160 0.000 0.789) 0.805 18.028 ( 0.687 0.000 1.319) 1.487 18.038 ( -0.179 0.000 -0.288) 0.339 18.067 ( 0.591 0.000 -0.378) 0.701 19.105 ( 1.472 0.000 -0.544) 1.569 19.117 ( 2.359 0.000 -1.616) 2.860 19.177 ( -0.078 0.000 -0.611) 0.616 19.243 ( 1.565 0.000 1.431) 2.121 21.517 ( -3.001 0.000 -1.106) 3.199 21.752 ( -1.678 0.000 4.462) 4.767 21.921 ( -0.409 0.000 6.150) 6.164 21.942 ( -0.976 0.000 -0.315) 1.025 22.068 ( -0.794 0.000 -3.519) 3.607 22.104 ( 2.428 0.000 -0.868) 2.578 22.143 ( -0.761 0.000 1.276) 1.486 22.281 ( -1.202 0.000 -0.696) 1.389 23.937 ( 0.340 0.000 0.274) 0.437 23.943 ( 0.247 0.000 0.203) 0.320 24.018 ( -0.263 0.000 -0.248) 0.361 24.018 ( -0.222 0.000 -0.231) 0.321 27.485 ( -2.129 0.000 -3.531) 4.123 27.535 ( 3.311 0.000 2.152) 3.949 27.712 ( 1.818 0.000 -1.041) 2.095 27.746 ( 4.848 0.000 2.337) 5.382 27.860 ( -6.472 0.000 -8.156) 10.412 28.147 ( -2.903 0.000 3.388) 4.461 28.434 ( -11.874 0.000 -1.794) 12.009 28.663 ( -6.695 0.000 8.456) 10.785 31.466 ( -1.136 0.000 -1.202) 1.653 31.511 ( -2.868 0.000 -0.067) 2.869 31.573 ( 0.175 0.000 0.425) 0.460 31.586 ( -1.302 0.000 -0.840) 1.549 31.634 ( -0.840 0.000 -3.573) 3.670 31.749 ( -2.715 0.000 -1.414) 3.061 31.858 ( -3.641 0.000 1.991) 4.149 32.313 ( -5.909 0.000 13.389) 14.635 33.341 ( 0.823 0.000 -1.134) 1.402 33.380 ( 1.347 0.000 -1.231) 1.825 33.384 ( 2.983 0.000 -1.447) 3.315 33.431 ( -0.801 0.000 2.044) 2.195 36.390 ( -1.837 0.000 -1.083) 2.132 36.489 ( -3.096 0.000 3.703) 4.827 36.571 ( -0.064 0.000 4.491) 4.492 36.573 ( -0.549 0.000 -2.588) 2.646 36.605 ( -4.044 0.000 0.272) 4.053 36.611 ( 1.325 0.000 -0.986) 1.651 36.737 ( 3.926 0.000 -2.792) 4.818 36.769 ( -4.416 0.000 -0.754) 4.480 37.123 ( 3.854 0.000 -8.039) 8.915 37.170 ( 6.491 0.000 1.968) 6.783 37.342 ( 8.168 0.000 -13.739) 15.984 38.200 ( 11.953 0.000 10.604) 15.979 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 7.113 0.000 4.891) 8.633 1.211 ( 11.864 0.000 4.739) 12.776 1.309 ( 1.407 0.000 1.459) 2.027 1.438 ( -2.504 0.000 -5.873) 6.384 1.488 ( -2.512 0.000 -1.928) 3.166 1.653 ( -3.746 0.000 -2.255) 4.372 1.653 ( -1.590 0.000 -1.944) 2.511 1.754 ( 1.215 0.000 -2.149) 2.468 1.764 ( -4.556 0.000 -3.370) 5.667 1.821 ( 4.568 0.000 2.058) 5.011 1.869 ( 4.700 0.000 -3.446) 5.828 2.058 ( -2.630 0.000 -0.106) 2.632 2.150 ( 0.413 0.000 0.464) 0.622 2.206 ( 8.424 0.000 2.863) 8.898 2.286 ( 8.355 0.000 -2.518) 8.727 2.344 ( -2.451 0.000 -3.360) 4.159 2.357 ( 10.961 0.000 3.139) 11.402 2.373 ( 0.897 0.000 -0.115) 0.905 2.393 ( 6.682 0.000 2.714) 7.212 2.440 ( 1.523 0.000 2.600) 3.013 2.535 ( 3.360 0.000 0.822) 3.459 2.577 ( 2.943 0.000 -4.557) 5.424 2.610 ( 3.710 0.000 -2.414) 4.426 2.630 ( -4.589 0.000 -0.873) 4.672 2.707 ( -3.756 0.000 1.760) 4.148 2.781 ( 2.740 0.000 3.975) 4.828 2.828 ( 4.862 0.000 -1.035) 4.971 2.866 ( 0.958 0.000 1.794) 2.033 2.922 ( 1.985 0.000 -2.026) 2.837 2.951 ( -5.429 0.000 -0.308) 5.437 3.022 ( 3.554 0.000 -2.059) 4.107 3.108 ( -6.239 0.000 1.521) 6.422 3.141 ( -7.244 0.000 -3.441) 8.020 3.154 ( 1.447 0.000 2.795) 3.147 3.229 ( -2.575 0.000 3.167) 4.082 3.245 ( 0.077 0.000 2.688) 2.689 3.341 ( -0.134 0.000 1.952) 1.956 3.348 ( 1.625 0.000 0.608) 1.736 3.394 ( 0.384 0.000 -0.592) 0.705 3.420 ( -4.155 0.000 -5.152) 6.619 3.491 ( -0.643 0.000 -2.283) 2.371 3.574 ( 1.520 0.000 1.620) 2.221 3.577 ( -0.641 0.000 0.296) 0.706 3.739 ( 1.343 0.000 -0.547) 1.450 3.798 ( -4.521 0.000 -0.330) 4.533 3.810 ( 0.336 0.000 -0.844) 0.908 3.888 ( 7.072 0.000 -1.138) 7.163 3.976 ( -5.890 0.000 -2.565) 6.424 4.024 ( -2.466 0.000 1.046) 2.679 4.046 ( 0.896 0.000 -0.018) 0.896 4.079 ( -7.544 0.000 5.605) 9.399 4.234 ( -4.224 0.000 -6.411) 7.678 4.252 ( 8.482 0.000 2.273) 8.782 4.305 ( 2.308 0.000 0.447) 2.351 4.408 ( 0.415 0.000 -2.783) 2.814 4.469 ( -1.882 0.000 2.171) 2.873 4.511 ( -5.802 0.000 1.854) 6.091 4.604 ( -0.858 0.000 -2.044) 2.216 4.694 ( 2.455 0.000 3.523) 4.294 4.716 ( -1.290 0.000 -0.626) 1.434 4.753 ( 0.179 0.000 -0.059) 0.188 4.758 ( -0.479 0.000 -0.503) 0.695 4.912 ( 0.879 0.000 -0.263) 0.918 5.071 ( 2.946 0.000 6.913) 7.515 5.299 ( -0.100 0.000 -1.118) 1.122 5.516 ( -2.754 0.000 -6.901) 7.430 5.639 ( -2.803 0.000 -0.051) 2.803 5.704 ( 0.946 0.000 1.087) 1.442 5.722 ( 2.429 0.000 0.209) 2.438 5.767 ( -1.514 0.000 1.903) 2.432 5.946 ( 0.649 0.000 -0.492) 0.814 6.004 ( 0.012 0.000 -0.123) 0.123 8.174 ( 1.227 0.000 -0.413) 1.294 8.194 ( 0.501 0.000 0.534) 0.732 8.220 ( -1.313 0.000 -0.225) 1.332 8.258 ( 0.034 0.000 -0.155) 0.159 8.539 ( 0.613 0.000 1.335) 1.469 8.549 ( 0.241 0.000 0.230) 0.333 8.551 ( 0.424 0.000 -1.172) 1.246 8.568 ( -0.691 0.000 -0.117) 0.701 8.593 ( 0.445 0.000 0.527) 0.690 8.635 ( 0.110 0.000 0.432) 0.446 8.647 ( -2.187 0.000 -1.117) 2.455 8.664 ( 0.067 0.000 0.261) 0.269 8.974 ( 0.578 0.000 0.324) 0.662 8.989 ( 0.148 0.000 0.049) 0.156 9.004 ( -0.863 0.000 -0.480) 0.988 9.033 ( -0.733 0.000 0.027) 0.733 9.278 ( 0.853 0.000 0.343) 0.920 9.284 ( 0.312 0.000 -0.095) 0.326 9.336 ( -0.699 0.000 0.050) 0.701 9.419 ( -1.325 0.000 -0.117) 1.330 10.336 ( 0.983 0.000 -0.113) 0.990 10.349 ( 0.772 0.000 -0.781) 1.098 10.350 ( 0.469 0.000 0.166) 0.498 10.435 ( -0.327 0.000 -0.112) 0.345 10.551 ( 0.822 0.000 1.272) 1.514 10.553 ( 0.135 0.000 -0.044) 0.142 10.592 ( -0.656 0.000 0.798) 1.033 10.604 ( 1.354 0.000 0.013) 1.354 10.844 ( -0.474 0.000 -0.094) 0.483 10.874 ( -0.380 0.000 0.115) 0.398 10.879 ( 0.767 0.000 -0.156) 0.783 10.903 ( -1.650 0.000 0.155) 1.657 13.283 ( -0.032 0.000 -0.149) 0.152 13.291 ( 0.169 0.000 -0.261) 0.311 13.367 ( -0.198 0.000 -0.060) 0.207 13.386 ( 0.300 0.000 0.151) 0.336 14.300 ( 0.196 0.000 0.229) 0.301 14.330 ( 0.929 0.000 1.338) 1.629 14.367 ( -1.135 0.000 -1.447) 1.839 14.373 ( -0.050 0.000 0.008) 0.051 14.464 ( -0.811 0.000 -0.321) 0.872 14.514 ( -1.152 0.000 -1.215) 1.674 14.550 ( 0.645 0.000 1.102) 1.277 14.674 ( 0.819 0.000 0.274) 0.863 14.708 ( -0.894 0.000 -1.081) 1.402 14.729 ( -1.979 0.000 -3.742) 4.233 14.810 ( -0.818 0.000 0.567) 0.995 14.875 ( 0.120 0.000 0.022) 0.122 14.916 ( 0.697 0.000 0.431) 0.820 15.065 ( -0.833 0.000 -1.430) 1.655 15.081 ( -0.494 0.000 0.573) 0.757 15.087 ( 0.699 0.000 -0.399) 0.805 15.119 ( -0.698 0.000 0.552) 0.890 15.132 ( -0.287 0.000 0.151) 0.325 15.193 ( 0.103 0.000 0.536) 0.545 15.328 ( -0.170 0.000 0.927) 0.942 18.024 ( -0.429 0.000 0.558) 0.704 18.038 ( 0.272 0.000 -0.329) 0.427 18.047 ( 0.151 0.000 0.604) 0.623 18.074 ( 0.388 0.000 -0.056) 0.392 19.124 ( 0.669 0.000 -0.131) 0.682 19.146 ( 2.308 0.000 -2.100) 3.120 19.167 ( -1.459 0.000 1.501) 2.093 19.276 ( 0.643 0.000 0.681) 0.937 21.467 ( -1.176 0.000 -0.620) 1.329 21.762 ( -0.315 0.000 1.511) 1.543 21.926 ( -0.393 0.000 -0.115) 0.410 21.964 ( -0.219 0.000 4.424) 4.430 22.023 ( -0.298 0.000 -3.682) 3.694 22.123 ( 0.505 0.000 -0.608) 0.791 22.149 ( 0.088 0.000 0.856) 0.860 22.257 ( -0.622 0.000 -0.341) 0.710 23.960 ( 1.205 0.000 1.178) 1.685 23.963 ( 0.960 0.000 1.054) 1.425 23.996 ( -1.154 0.000 -1.154) 1.632 23.999 ( -0.943 0.000 -1.064) 1.422 27.416 ( -1.326 0.000 -2.045) 2.438 27.566 ( 0.657 0.000 -1.171) 1.343 27.705 ( -2.895 0.000 -3.674) 4.678 27.772 ( 2.081 0.000 1.459) 2.542 27.911 ( 8.429 0.000 4.515) 9.562 28.121 ( -1.715 0.000 1.346) 2.180 28.161 ( -11.351 0.000 -5.233) 12.499 28.644 ( -1.768 0.000 3.369) 3.805 31.441 ( -0.492 0.000 -0.523) 0.718 31.464 ( -1.219 0.000 -0.491) 1.314 31.561 ( -0.594 0.000 -0.324) 0.677 31.585 ( 0.259 0.000 -0.686) 0.733 31.618 ( 1.091 0.000 0.969) 1.459 31.682 ( -2.552 0.000 -1.667) 3.049 31.820 ( -1.466 0.000 0.840) 1.689 32.318 ( -1.705 0.000 4.039) 4.384 33.346 ( 0.284 0.000 -0.371) 0.467 33.391 ( 0.479 0.000 -0.349) 0.592 33.415 ( 1.475 0.000 -1.498) 2.103 33.434 ( -0.676 0.000 1.693) 1.824 36.368 ( -0.004 0.000 -0.279) 0.279 36.468 ( -1.099 0.000 1.040) 1.513 36.493 ( -3.092 0.000 -0.998) 3.249 36.575 ( -0.155 0.000 -0.313) 0.349 36.599 ( -0.331 0.000 2.432) 2.455 36.627 ( 0.865 0.000 -0.650) 1.082 36.735 ( -0.371 0.000 0.124) 0.391 36.774 ( 1.595 0.000 -1.094) 1.934 37.120 ( 1.542 0.000 -3.730) 4.036 37.276 ( 2.608 0.000 0.846) 2.741 37.372 ( 2.321 0.000 -2.985) 3.781 38.427 ( 4.107 0.000 4.419) 6.032 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 21.762 0.000) 21.762 0.597 ( 0.000 28.136 0.000) 28.136 0.737 ( 0.000 32.956 0.000) 32.956 1.272 ( 0.000 -13.640 0.000) 13.640 1.469 ( 0.000 0.699 0.000) 0.699 1.475 ( 0.000 -1.921 0.000) 1.921 1.568 ( 0.000 -1.003 0.000) 1.003 1.587 ( 0.000 1.358 0.000) 1.358 1.616 ( 0.000 5.331 0.000) 5.331 1.644 ( 0.000 -7.060 0.000) 7.060 1.765 ( 0.000 -4.034 0.000) 4.034 1.842 ( 0.000 -4.694 0.000) 4.694 1.950 ( 0.000 2.036 0.000) 2.036 2.033 ( 0.000 1.307 0.000) 1.307 2.096 ( 0.000 -0.895 0.000) 0.895 2.119 ( 0.000 1.468 0.000) 1.468 2.158 ( 0.000 3.684 0.000) 3.684 2.205 ( 0.000 2.432 0.000) 2.432 2.278 ( 0.000 -10.040 0.000) 10.040 2.376 ( 0.000 -2.496 0.000) 2.496 2.383 ( 0.000 -0.538 0.000) 0.538 2.441 ( 0.000 -5.133 0.000) 5.133 2.482 ( 0.000 -1.985 0.000) 1.985 2.550 ( 0.000 -0.230 0.000) 0.230 2.560 ( 0.000 -2.815 0.000) 2.815 2.636 ( 0.000 -0.936 0.000) 0.936 2.687 ( 0.000 1.586 0.000) 1.586 2.766 ( 0.000 -3.679 0.000) 3.679 2.892 ( 0.000 4.130 0.000) 4.130 2.908 ( 0.000 1.714 0.000) 1.714 3.148 ( 0.000 -1.660 0.000) 1.660 3.177 ( 0.000 -5.872 0.000) 5.872 3.192 ( 0.000 -3.844 0.000) 3.844 3.198 ( 0.000 -1.549 0.000) 1.549 3.220 ( 0.000 -2.822 0.000) 2.822 3.297 ( 0.000 -6.508 0.000) 6.508 3.394 ( 0.000 7.606 0.000) 7.606 3.556 ( 0.000 4.741 0.000) 4.741 3.614 ( 0.000 5.864 0.000) 5.864 3.639 ( 0.000 3.087 0.000) 3.087 3.674 ( 0.000 0.577 0.000) 0.577 3.748 ( 0.000 3.211 0.000) 3.211 3.767 ( 0.000 0.124 0.000) 0.124 3.844 ( 0.000 -4.590 0.000) 4.590 3.852 ( 0.000 1.268 0.000) 1.268 3.900 ( 0.000 -1.110 0.000) 1.110 3.916 ( 0.000 4.415 0.000) 4.415 3.983 ( 0.000 4.927 0.000) 4.927 4.016 ( 0.000 0.470 0.000) 0.470 4.092 ( 0.000 -2.101 0.000) 2.101 4.131 ( 0.000 -1.287 0.000) 1.287 4.157 ( 0.000 -3.029 0.000) 3.029 4.287 ( 0.000 -1.147 0.000) 1.147 4.311 ( 0.000 -2.466 0.000) 2.466 4.348 ( 0.000 1.962 0.000) 1.962 4.438 ( 0.000 3.838 0.000) 3.838 4.469 ( 0.000 0.495 0.000) 0.495 4.609 ( 0.000 4.029 0.000) 4.029 4.659 ( 0.000 -1.907 0.000) 1.907 4.688 ( 0.000 0.471 0.000) 0.471 4.850 ( 0.000 -2.002 0.000) 2.002 4.949 ( 0.000 -6.540 0.000) 6.540 5.037 ( 0.000 -2.747 0.000) 2.747 5.058 ( 0.000 0.348 0.000) 0.348 5.285 ( 0.000 2.225 0.000) 2.225 5.325 ( 0.000 -2.079 0.000) 2.079 5.553 ( 0.000 4.755 0.000) 4.755 5.708 ( 0.000 -1.428 0.000) 1.428 5.787 ( 0.000 1.654 0.000) 1.654 5.843 ( 0.000 -1.674 0.000) 1.674 5.934 ( 0.000 1.512 0.000) 1.512 5.980 ( 0.000 -1.546 0.000) 1.546 8.142 ( 0.000 -0.035 0.000) 0.035 8.149 ( 0.000 -0.280 0.000) 0.280 8.253 ( 0.000 0.287 0.000) 0.287 8.263 ( 0.000 -0.136 0.000) 0.136 8.526 ( 0.000 1.311 0.000) 1.311 8.543 ( 0.000 0.517 0.000) 0.517 8.547 ( 0.000 2.643 0.000) 2.643 8.574 ( 0.000 0.714 0.000) 0.714 8.598 ( 0.000 0.091 0.000) 0.091 8.605 ( 0.000 0.157 0.000) 0.157 8.688 ( 0.000 -1.773 0.000) 1.773 8.724 ( 0.000 -2.282 0.000) 2.282 8.980 ( 0.000 -0.107 0.000) 0.107 8.987 ( 0.000 -0.469 0.000) 0.469 9.014 ( 0.000 0.550 0.000) 0.550 9.097 ( 0.000 -3.351 0.000) 3.351 9.265 ( 0.000 2.302 0.000) 2.302 9.323 ( 0.000 3.291 0.000) 3.291 9.375 ( 0.000 -2.261 0.000) 2.261 9.417 ( 0.000 -0.611 0.000) 0.611 10.250 ( 0.000 -0.325 0.000) 0.325 10.266 ( 0.000 -0.913 0.000) 0.913 10.315 ( 0.000 1.247 0.000) 1.247 10.356 ( 0.000 -0.246 0.000) 0.246 10.503 ( 0.000 -0.311 0.000) 0.311 10.511 ( 0.000 -0.655 0.000) 0.655 10.572 ( 0.000 0.626 0.000) 0.626 10.599 ( 0.000 -0.468 0.000) 0.468 10.897 ( 0.000 0.020 0.000) 0.020 10.914 ( 0.000 -0.515 0.000) 0.515 10.948 ( 0.000 1.443 0.000) 1.443 11.003 ( 0.000 -0.748 0.000) 0.748 13.294 ( 0.000 0.877 0.000) 0.877 13.313 ( 0.000 0.182 0.000) 0.182 13.372 ( 0.000 0.132 0.000) 0.132 13.375 ( 0.000 0.033 0.000) 0.033 14.307 ( 0.000 0.325 0.000) 0.325 14.333 ( 0.000 -0.607 0.000) 0.607 14.343 ( 0.000 0.427 0.000) 0.427 14.376 ( 0.000 -1.413 0.000) 1.413 14.474 ( 0.000 2.279 0.000) 2.279 14.550 ( 0.000 -0.940 0.000) 0.940 14.671 ( 0.000 2.015 0.000) 2.015 14.698 ( 0.000 0.469 0.000) 0.469 14.718 ( 0.000 -0.235 0.000) 0.235 14.758 ( 0.000 -1.732 0.000) 1.732 14.873 ( 0.000 1.788 0.000) 1.788 14.901 ( 0.000 4.197 0.000) 4.197 15.011 ( 0.000 -2.943 0.000) 2.943 15.090 ( 0.000 0.590 0.000) 0.590 15.096 ( 0.000 -3.633 0.000) 3.633 15.116 ( 0.000 -0.394 0.000) 0.394 15.162 ( 0.000 0.227 0.000) 0.227 15.183 ( 0.000 -1.001 0.000) 1.001 15.298 ( 0.000 2.290 0.000) 2.290 15.363 ( 0.000 -0.774 0.000) 0.774 18.008 ( 0.000 -0.407 0.000) 0.407 18.010 ( 0.000 -0.436 0.000) 0.436 18.045 ( 0.000 0.475 0.000) 0.475 18.053 ( 0.000 0.114 0.000) 0.114 19.079 ( 0.000 0.335 0.000) 0.335 19.095 ( 0.000 1.229 0.000) 1.229 19.114 ( 0.000 -0.927 0.000) 0.927 19.165 ( 0.000 -1.512 0.000) 1.512 21.389 ( 0.000 1.120 0.000) 1.120 21.548 ( 0.000 -6.641 0.000) 6.641 21.938 ( 0.000 5.780 0.000) 5.780 22.012 ( 0.000 0.377 0.000) 0.377 22.119 ( 0.000 -0.615 0.000) 0.615 22.147 ( 0.000 -0.863 0.000) 0.863 22.340 ( 0.000 2.019 0.000) 2.019 22.412 ( 0.000 -0.805 0.000) 0.805 23.979 ( 0.000 0.073 0.000) 0.073 23.981 ( 0.000 -0.002 0.000) 0.002 23.982 ( 0.000 0.152 0.000) 0.152 23.985 ( 0.000 0.007 0.000) 0.007 27.471 ( 0.000 1.776 0.000) 1.776 27.575 ( 0.000 -2.131 0.000) 2.131 27.587 ( 0.000 8.803 0.000) 8.803 27.795 ( 0.000 5.476 0.000) 5.476 28.015 ( 0.000 -7.347 0.000) 7.347 28.122 ( 0.000 -7.535 0.000) 7.535 28.877 ( 0.000 3.012 0.000) 3.012 28.978 ( 0.000 -1.202 0.000) 1.202 31.518 ( 0.000 0.466 0.000) 0.466 31.547 ( 0.000 -0.688 0.000) 0.688 31.585 ( 0.000 0.111 0.000) 0.111 31.594 ( 0.000 -0.445 0.000) 0.445 31.654 ( 0.000 1.831 0.000) 1.831 31.775 ( 0.000 -3.915 0.000) 3.915 32.130 ( 0.000 7.713 0.000) 7.713 32.442 ( 0.000 -5.222 0.000) 5.222 33.310 ( 0.000 0.072 0.000) 0.072 33.314 ( 0.000 -0.102 0.000) 0.102 33.352 ( 0.000 1.484 0.000) 1.484 33.417 ( 0.000 -1.063 0.000) 1.063 36.422 ( 0.000 -0.323 0.000) 0.323 36.472 ( 0.000 -2.500 0.000) 2.500 36.518 ( 0.000 0.935 0.000) 0.935 36.569 ( 0.000 -1.339 0.000) 1.339 36.653 ( 0.000 0.834 0.000) 0.834 36.660 ( 0.000 -0.012 0.000) 0.012 36.769 ( 0.000 2.326 0.000) 2.326 36.873 ( 0.000 -1.689 0.000) 1.689 37.008 ( 0.000 5.161 0.000) 5.161 37.143 ( 0.000 3.486 0.000) 3.486 37.282 ( 0.000 -3.308 0.000) 3.308 37.400 ( 0.000 -4.215 0.000) 4.215 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 15.060 21.035 -9.545) 27.575 0.758 ( 13.988 16.466 13.027) 25.229 1.169 ( 26.755 13.237 16.574) 34.143 1.349 ( 8.436 -7.399 -0.541) 11.234 1.416 ( -0.356 -1.066 -3.981) 4.136 1.492 ( -2.555 -0.756 -6.657) 7.170 1.516 ( 3.752 -0.585 -1.354) 4.031 1.572 ( 1.991 -6.251 -8.349) 10.618 1.669 ( 3.917 -0.041 0.910) 4.021 1.740 ( 2.057 0.036 0.788) 2.203 1.822 ( 4.669 1.731 1.905) 5.331 1.890 ( 6.694 1.798 -1.820) 7.166 1.931 ( 2.824 -2.731 -2.642) 4.735 2.024 ( 2.232 -0.286 3.257) 3.959 2.095 ( 1.020 -2.250 -9.082) 9.412 2.120 ( 2.938 -1.929 1.055) 3.669 2.183 ( 4.643 1.551 -2.015) 5.294 2.231 ( 2.769 -1.574 0.279) 3.197 2.313 ( 0.530 -1.311 -0.321) 1.450 2.377 ( 1.191 -3.519 -4.949) 6.188 2.399 ( -0.820 -1.107 2.551) 2.899 2.471 ( 0.439 -4.628 0.870) 4.730 2.478 ( 0.674 -1.493 -1.596) 2.287 2.524 ( 0.940 -2.365 2.567) 3.615 2.633 ( -0.238 -2.480 -4.233) 4.912 2.670 ( 6.709 -0.666 -1.197) 6.847 2.698 ( 2.484 1.062 1.993) 3.357 2.785 ( 2.998 0.308 8.402) 8.927 2.921 ( -0.027 3.668 2.677) 4.541 2.936 ( 1.978 4.691 0.601) 5.126 3.075 ( -5.077 -2.251 -3.698) 6.672 3.100 ( -0.939 -2.043 -0.252) 2.263 3.138 ( -1.710 -0.626 -1.137) 2.147 3.224 ( -0.705 -0.560 1.236) 1.529 3.312 ( 0.440 -3.120 2.779) 4.201 3.354 ( 1.592 -2.874 3.300) 4.657 3.428 ( 1.928 3.750 3.784) 5.665 3.496 ( -4.295 3.318 -2.525) 5.985 3.543 ( -4.248 1.842 -0.185) 4.634 3.566 ( -3.584 3.502 -1.529) 5.239 3.686 ( -2.347 -3.098 -2.747) 4.760 3.721 ( -3.486 1.420 2.167) 4.344 3.773 ( 2.789 3.353 0.330) 4.374 3.800 ( -2.581 -0.555 -3.546) 4.421 3.822 ( -2.923 0.345 -0.269) 2.956 3.903 ( -2.045 1.418 -1.543) 2.928 3.917 ( -2.993 -1.481 -2.089) 3.939 3.972 ( 0.793 4.132 0.576) 4.247 4.025 ( -2.926 -0.636 -5.330) 6.113 4.051 ( 0.678 -0.119 5.238) 5.283 4.088 ( -2.161 -1.573 -5.235) 5.878 4.155 ( -1.987 -1.068 7.069) 7.420 4.241 ( -2.141 0.957 -0.768) 2.468 4.331 ( 0.150 -2.664 2.589) 3.717 4.408 ( 1.491 -1.612 -1.590) 2.711 4.426 ( 3.294 -3.216 -2.714) 5.344 4.535 ( 2.977 0.767 2.919) 4.240 4.622 ( 0.586 3.362 0.788) 3.503 4.706 ( 2.254 1.063 0.970) 2.674 4.716 ( 0.191 -1.770 5.567) 5.845 4.787 ( -4.733 -0.061 -5.592) 7.326 4.876 ( -2.572 -3.137 -1.411) 4.295 4.910 ( -4.236 2.989 -0.706) 5.233 4.938 ( -2.759 0.290 -2.443) 3.697 5.437 ( 8.076 0.917 5.508) 9.818 5.471 ( 0.411 0.491 0.084) 0.646 5.600 ( 4.914 -3.207 -1.891) 6.165 5.689 ( -1.104 -0.915 -1.004) 1.750 5.769 ( 0.453 0.385 -1.943) 2.032 5.804 ( -3.656 -1.784 -2.048) 4.554 5.930 ( 0.885 1.198 -1.581) 2.172 5.991 ( 0.333 -1.767 0.479) 1.861 8.150 ( 0.641 -0.014 -0.273) 0.697 8.152 ( 0.636 -0.037 -0.294) 0.702 8.250 ( -0.191 -0.087 0.296) 0.363 8.265 ( -0.012 -0.213 0.168) 0.271 8.518 ( -0.794 1.180 0.330) 1.461 8.538 ( -0.711 1.271 0.394) 1.509 8.543 ( 0.123 0.573 0.019) 0.586 8.571 ( 0.099 0.422 1.118) 1.199 8.609 ( 0.379 0.440 0.430) 0.723 8.630 ( 0.275 -0.664 1.415) 1.587 8.645 ( -2.142 -1.385 -0.790) 2.670 8.724 ( -0.729 -1.768 0.207) 1.923 8.967 ( -0.153 0.625 -0.426) 0.772 9.000 ( -0.078 -0.345 -0.427) 0.555 9.017 ( 0.496 -0.311 1.109) 1.254 9.065 ( -1.803 -1.800 -0.707) 2.644 9.270 ( 0.220 2.317 0.348) 2.354 9.295 ( -0.632 2.721 -0.457) 2.830 9.383 ( -1.091 -1.023 0.252) 1.516 9.432 ( -0.508 -3.366 1.873) 3.886 10.276 ( 1.817 -0.258 0.584) 1.926 10.301 ( 1.908 -1.328 -0.380) 2.356 10.326 ( 1.479 0.934 -0.567) 1.839 10.370 ( 1.692 -0.427 -0.193) 1.756 10.499 ( -0.313 -0.113 0.249) 0.415 10.521 ( 0.113 -1.420 1.293) 1.923 10.577 ( 0.460 0.332 -0.377) 0.681 10.592 ( -0.150 -0.476 -0.617) 0.794 10.888 ( -0.797 0.148 -0.294) 0.863 10.902 ( -0.917 -0.172 -0.109) 0.939 10.952 ( 0.072 0.931 -0.166) 0.948 10.959 ( -2.431 1.907 -0.849) 3.205 13.292 ( 0.193 0.722 -0.464) 0.880 13.306 ( -0.175 0.225 -0.795) 0.845 13.375 ( 0.106 0.348 0.214) 0.422 13.379 ( 0.185 0.338 0.408) 0.561 14.301 ( -0.426 0.099 -0.351) 0.560 14.306 ( -0.725 -0.108 -0.755) 1.052 14.362 ( 0.388 0.014 0.613) 0.726 14.386 ( 0.426 -1.216 0.666) 1.450 14.490 ( 1.197 2.417 1.047) 2.893 14.556 ( 0.210 0.150 0.137) 0.293 14.617 ( -1.701 1.075 -3.799) 4.299 14.638 ( -0.905 -0.994 -1.512) 2.023 14.770 ( 2.553 3.209 3.083) 5.130 14.846 ( 0.752 0.884 1.707) 2.064 14.867 ( -0.747 1.565 -1.385) 2.219 14.882 ( -0.466 2.744 -0.242) 2.794 15.027 ( 0.808 -3.395 0.694) 3.559 15.056 ( -1.938 -2.485 -3.040) 4.379 15.100 ( -1.482 0.054 2.063) 2.541 15.105 ( -0.541 -0.170 0.801) 0.981 15.157 ( -0.591 0.518 -0.070) 0.790 15.170 ( -0.941 -0.470 0.528) 1.177 15.239 ( -4.106 2.399 -2.795) 5.517 15.300 ( -4.129 -0.601 3.127) 5.214 18.006 ( 0.149 -0.283 0.177) 0.366 18.013 ( 0.206 -0.481 0.196) 0.558 18.048 ( -0.355 0.247 0.357) 0.561 18.056 ( 0.477 0.064 0.049) 0.484 19.087 ( 1.316 0.430 -1.105) 1.771 19.103 ( 1.239 1.267 -0.572) 1.863 19.145 ( 2.270 -2.242 -1.684) 3.608 19.182 ( 1.148 -1.681 1.103) 2.315 21.496 ( 2.761 -5.237 5.546) 8.112 21.544 ( -0.320 -6.103 2.374) 6.556 21.914 ( -1.851 3.858 0.578) 4.318 22.019 ( -1.360 -1.114 0.291) 1.782 22.099 ( 0.196 1.304 -0.595) 1.447 22.149 ( 0.072 -0.175 -0.486) 0.522 22.283 ( -6.764 7.477 -0.605) 10.101 22.325 ( -1.288 1.426 -0.383) 1.960 23.948 ( -0.804 0.210 -0.953) 1.264 23.952 ( -0.700 0.015 -0.926) 1.161 24.011 ( 0.724 0.129 0.904) 1.165 24.013 ( 0.684 0.113 0.953) 1.179 27.507 ( 3.503 5.340 3.862) 7.464 27.587 ( -0.492 6.234 -0.179) 6.256 27.682 ( 3.087 0.460 2.696) 4.124 27.795 ( 1.310 3.253 -1.824) 3.953 27.968 ( -4.598 -6.227 -1.462) 7.877 28.063 ( -3.334 -7.720 -1.699) 8.579 28.701 ( -14.994 6.851 6.322) 17.656 28.806 ( -10.702 0.305 -1.142) 10.767 31.506 ( -0.759 0.792 -0.775) 1.343 31.546 ( -1.110 -0.299 0.657) 1.324 31.586 ( -0.813 -0.071 0.083) 0.821 31.627 ( 1.373 -2.671 0.189) 3.009 31.635 ( -1.326 0.602 -0.610) 1.579 31.729 ( -2.064 -3.204 -3.325) 5.057 32.063 ( -5.738 8.322 0.764) 10.137 32.320 ( -13.025 -1.597 16.324) 20.945 33.334 ( 2.590 0.085 -1.063) 2.801 33.339 ( 2.573 -0.004 -2.921) 3.893 33.367 ( 1.119 0.744 0.154) 1.353 33.420 ( -0.340 -0.935 1.092) 1.477 36.450 ( -1.057 -0.735 -0.573) 1.409 36.478 ( -0.110 -1.730 2.864) 3.348 36.521 ( 0.122 -0.157 2.088) 2.097 36.556 ( -1.005 -1.147 0.254) 1.546 36.644 ( -1.878 1.252 2.170) 3.131 36.659 ( -0.870 0.714 1.795) 2.119 36.738 ( 2.545 4.310 -6.131) 7.915 36.896 ( -0.726 -2.788 -2.620) 3.894 36.998 ( -6.657 -2.388 -3.591) 7.931 37.068 ( 10.848 -5.964 -18.212) 22.021 37.344 ( 12.688 7.968 -2.230) 15.148 37.739 ( 16.106 -6.896 9.427) 19.895 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 17.843 10.635 -2.454) 20.916 1.143 ( 11.913 15.374 13.545) 23.701 1.272 ( -3.500 -2.185 -6.798) 7.952 1.427 ( 0.929 -5.702 -0.211) 5.781 1.523 ( 7.145 -7.434 -5.770) 11.815 1.577 ( 4.375 0.665 0.102) 4.427 1.652 ( 8.723 -2.947 0.794) 9.242 1.706 ( 11.771 1.288 0.951) 11.880 1.789 ( 2.264 1.351 1.189) 2.892 1.797 ( 5.752 5.121 -2.328) 8.046 1.876 ( -1.562 0.896 -2.097) 2.764 1.936 ( -0.843 -0.814 -0.406) 1.240 2.020 ( 7.252 -2.422 0.348) 7.654 2.064 ( 8.670 -2.754 -4.343) 10.081 2.156 ( 1.922 -7.067 1.062) 7.400 2.174 ( 9.530 3.666 -3.642) 10.841 2.231 ( 2.090 1.570 -0.575) 2.677 2.333 ( 3.160 0.568 0.396) 3.235 2.357 ( 5.026 -1.351 -1.623) 5.451 2.404 ( 2.417 -4.919 -4.377) 7.014 2.458 ( 2.504 -5.291 -1.738) 6.106 2.479 ( 4.189 1.324 3.273) 5.479 2.517 ( 6.206 3.012 5.024) 8.534 2.569 ( 4.356 -3.326 0.017) 5.481 2.640 ( 5.481 1.212 1.862) 5.915 2.746 ( 1.782 -0.914 -0.824) 2.166 2.780 ( 3.257 0.157 -0.036) 3.261 2.869 ( -4.758 5.069 1.596) 7.133 2.928 ( -4.862 -1.017 -3.808) 6.259 2.985 ( 1.663 -2.998 2.461) 4.220 3.014 ( 7.192 3.330 2.020) 8.179 3.076 ( -1.081 0.622 -0.176) 1.260 3.182 ( 1.663 1.207 5.601) 5.966 3.213 ( 0.816 2.935 3.061) 4.319 3.270 ( -3.796 1.860 0.135) 4.230 3.346 ( -6.174 -2.771 1.099) 6.856 3.369 ( -6.905 -1.053 -1.891) 7.236 3.430 ( -5.245 1.108 -2.603) 5.959 3.475 ( -2.711 1.156 -1.524) 3.318 3.494 ( -3.577 -1.277 -0.009) 3.798 3.582 ( -3.204 2.511 -1.211) 4.247 3.623 ( -5.690 2.999 -1.139) 6.532 3.690 ( -6.103 0.235 0.584) 6.136 3.758 ( -0.152 -2.456 -1.189) 2.733 3.791 ( -2.916 2.164 -3.137) 4.799 3.858 ( -0.152 2.411 -3.114) 3.941 3.878 ( -1.993 -1.376 0.491) 2.471 3.927 ( -1.407 0.519 -3.209) 3.542 3.967 ( -0.216 -7.582 -1.381) 7.710 4.049 ( 2.475 0.418 2.060) 3.247 4.099 ( 2.026 -3.721 -1.076) 4.371 4.152 ( -3.604 -0.209 2.055) 4.154 4.245 ( -0.764 3.405 6.146) 7.068 4.345 ( -1.233 -4.220 3.143) 5.405 4.382 ( -0.381 -6.438 -9.687) 11.637 4.443 ( 1.164 -2.297 0.140) 2.579 4.618 ( 0.211 3.496 2.391) 4.241 4.653 ( -1.338 2.431 -2.309) 3.609 4.661 ( 0.790 2.740 3.818) 4.766 4.718 ( -1.194 -0.287 0.715) 1.421 4.783 ( -3.039 -0.523 -1.058) 3.260 4.796 ( 1.095 2.718 2.768) 4.031 4.887 ( 1.198 1.261 1.242) 2.137 4.967 ( 2.457 -1.482 3.953) 4.885 5.395 ( -3.334 3.803 -4.760) 6.945 5.575 ( -2.212 -2.325 -5.208) 6.117 5.629 ( 3.883 -0.514 4.751) 6.158 5.679 ( -1.155 -2.612 0.019) 2.856 5.716 ( -1.456 1.058 -0.859) 1.995 5.779 ( 1.607 -0.069 -1.080) 1.938 5.941 ( 0.940 0.662 -0.367) 1.207 5.991 ( -0.299 -1.566 0.238) 1.612 8.161 ( 1.287 0.481 -0.756) 1.569 8.173 ( 1.054 -0.022 0.614) 1.220 8.245 ( -0.674 -0.131 -0.095) 0.693 8.259 ( -0.378 -0.228 -0.304) 0.536 8.518 ( 0.452 0.409 0.796) 1.003 8.532 ( -0.408 0.226 0.541) 0.714 8.555 ( 0.347 -0.346 0.116) 0.503 8.573 ( -0.992 -0.556 1.054) 1.551 8.594 ( -0.433 -0.387 -0.607) 0.840 8.620 ( -0.172 -0.067 0.855) 0.875 8.652 ( -0.069 -0.130 0.737) 0.751 8.697 ( -1.688 -0.975 -0.572) 2.031 8.967 ( 0.236 0.653 0.015) 0.694 8.991 ( -0.164 -0.159 -0.644) 0.683 9.029 ( -1.063 -0.585 -0.207) 1.231 9.034 ( -0.293 -0.664 0.614) 0.951 9.274 ( 0.182 1.718 0.047) 1.728 9.294 ( 0.308 1.570 0.357) 1.639 9.355 ( -1.521 -0.445 -0.195) 1.596 9.420 ( -1.629 -2.875 0.604) 3.359 10.311 ( 1.619 0.050 -0.168) 1.629 10.326 ( 1.579 -0.425 -0.927) 1.880 10.349 ( 1.217 1.017 -0.426) 1.642 10.414 ( 1.849 -1.258 0.642) 2.327 10.507 ( 0.878 0.099 1.231) 1.516 10.535 ( 0.289 -1.187 1.196) 1.710 10.578 ( 0.454 -0.080 -1.144) 1.234 10.588 ( -0.237 -0.664 0.239) 0.744 10.866 ( -0.979 0.346 -0.383) 1.106 10.882 ( -0.882 -0.156 -0.013) 0.896 10.918 ( -1.373 2.304 -0.104) 2.683 10.942 ( -0.920 0.748 -0.293) 1.221 13.294 ( 0.281 0.653 -0.309) 0.775 13.298 ( 0.155 0.422 -0.716) 0.846 13.378 ( -0.006 0.545 0.156) 0.567 13.385 ( 0.175 0.518 0.238) 0.596 14.294 ( 0.040 -0.028 0.068) 0.084 14.302 ( 0.359 -0.305 0.491) 0.680 14.365 ( -0.315 -0.225 -0.100) 0.400 14.385 ( -0.641 -0.923 -0.585) 1.267 14.524 ( -0.307 2.258 -0.878) 2.442 14.534 ( 0.075 2.006 0.515) 2.072 14.599 ( 0.491 0.036 -0.061) 0.496 14.623 ( 0.538 -1.056 -0.976) 1.535 14.771 ( -2.977 3.806 -3.134) 5.759 14.827 ( 0.276 4.318 1.435) 4.558 14.883 ( 0.494 1.137 0.483) 1.331 14.893 ( -0.248 -0.059 -1.334) 1.358 14.927 ( -3.983 0.367 -2.825) 4.896 15.063 ( 0.841 -2.232 0.074) 2.387 15.086 ( -1.590 -0.053 2.058) 2.601 15.104 ( -1.133 -0.939 0.648) 1.608 15.130 ( -1.858 1.909 -2.655) 3.761 15.147 ( -1.446 0.171 0.133) 1.462 15.170 ( 0.080 -0.634 0.451) 0.782 15.282 ( -0.874 -3.307 2.112) 4.020 18.017 ( 0.262 -0.431 0.720) 0.880 18.024 ( 0.413 -0.474 1.332) 1.473 18.042 ( -0.267 0.377 -0.220) 0.511 18.062 ( 0.321 -0.365 -0.519) 0.711 19.105 ( 1.397 0.135 -1.088) 1.776 19.126 ( 2.355 0.564 -2.556) 3.521 19.163 ( 0.061 -0.872 1.138) 1.435 19.222 ( 1.504 -1.864 1.432) 2.791 21.499 ( -1.558 -1.126 -0.109) 1.925 21.612 ( 1.090 -8.147 4.352) 9.300 21.893 ( -0.827 1.243 0.620) 1.617 21.973 ( -2.580 -1.689 0.750) 3.174 22.125 ( 1.892 1.489 -0.403) 2.441 22.143 ( -0.220 1.345 -0.167) 1.373 22.195 ( -2.792 6.464 -0.032) 7.041 22.291 ( -1.630 0.581 -0.524) 1.808 23.940 ( 0.284 0.170 0.220) 0.398 23.943 ( 0.244 -0.006 0.186) 0.307 24.020 ( -0.189 0.166 -0.180) 0.309 24.021 ( -0.286 0.181 -0.195) 0.391 27.526 ( -3.284 4.166 -3.337) 6.267 27.616 ( 2.749 5.847 3.205) 7.212 27.759 ( 1.458 1.676 0.475) 2.272 27.786 ( -0.645 2.626 -3.138) 4.142 27.831 ( -0.896 -0.087 -4.415) 4.506 28.029 ( -2.221 -9.130 4.403) 10.376 28.481 ( -11.715 3.335 -3.251) 12.607 28.631 ( -7.184 -2.959 5.734) 9.656 31.479 ( -1.014 1.236 -1.043) 1.909 31.516 ( -2.134 0.268 -0.090) 2.153 31.567 ( -0.817 -0.281 -1.120) 1.415 31.595 ( -1.619 0.340 0.065) 1.655 31.618 ( -0.241 -1.152 -2.832) 3.067 31.680 ( -1.627 -3.611 -0.202) 3.966 31.970 ( -4.683 7.683 1.806) 9.177 32.265 ( -5.837 -4.580 10.083) 12.518 33.351 ( 1.161 0.836 -1.457) 2.042 33.381 ( 2.862 -0.329 -1.816) 3.405 33.387 ( 1.001 0.606 -0.257) 1.199 33.423 ( -0.705 -0.737 2.071) 2.308 36.410 ( -1.361 1.804 -1.034) 2.485 36.483 ( -1.755 -0.534 2.407) 3.026 36.537 ( -1.048 -1.508 -0.690) 1.962 36.549 ( -0.378 -1.867 3.473) 3.961 36.610 ( -3.249 0.624 0.507) 3.347 36.666 ( -0.099 0.746 1.594) 1.763 36.701 ( -0.766 1.405 -4.155) 4.452 36.831 ( 1.375 3.084 -3.031) 4.538 36.995 ( 2.067 -6.894 2.111) 7.501 37.097 ( 7.933 -5.630 -16.226) 18.918 37.542 ( 8.360 13.909 0.370) 16.232 38.098 ( 11.470 -9.388 9.043) 17.363 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 11.173 5.050 0.734) 12.283 1.260 ( 5.247 1.333 1.758) 5.692 1.425 ( 4.074 13.376 7.160) 15.709 1.456 ( -2.578 0.865 0.530) 2.770 1.524 ( -0.759 2.483 -9.027) 9.393 1.657 ( 4.413 -2.365 1.421) 5.204 1.689 ( 0.772 -0.328 -2.671) 2.800 1.727 ( -1.768 -0.472 -1.525) 2.382 1.759 ( -4.431 0.447 0.171) 4.457 1.813 ( -1.121 1.195 -1.155) 2.004 1.940 ( 3.392 7.941 -2.351) 8.950 1.968 ( 5.175 -6.832 0.005) 8.570 2.068 ( 1.715 -6.053 -1.364) 6.438 2.130 ( -2.609 -6.908 2.417) 7.770 2.231 ( 5.954 -7.059 0.879) 9.277 2.297 ( -0.343 -0.476 0.302) 0.660 2.323 ( -0.157 -2.967 -1.214) 3.210 2.377 ( 3.395 1.353 -2.156) 4.244 2.434 ( 2.369 1.972 2.372) 3.889 2.469 ( 10.392 -0.857 -2.747) 10.783 2.547 ( 6.729 1.332 -1.172) 6.959 2.578 ( 9.334 4.457 2.611) 10.668 2.636 ( 2.337 -1.752 -0.820) 3.033 2.709 ( 0.043 1.043 -0.055) 1.046 2.729 ( -0.384 -0.355 -0.216) 0.566 2.767 ( -2.702 4.537 1.592) 5.515 2.799 ( -2.617 -2.309 -0.705) 3.560 2.810 ( -0.911 0.155 1.909) 2.121 2.857 ( 2.029 -2.024 1.149) 3.088 2.986 ( 2.420 -6.782 -1.380) 7.332 3.044 ( -3.912 2.851 -0.936) 4.930 3.110 ( -6.628 0.275 -0.228) 6.638 3.168 ( 0.507 1.276 0.195) 1.387 3.200 ( -0.456 7.656 -0.382) 7.679 3.224 ( -0.273 -1.262 3.316) 3.558 3.275 ( -4.635 0.413 0.679) 4.703 3.326 ( 1.839 1.942 0.270) 2.688 3.373 ( -2.566 -0.625 0.434) 2.677 3.376 ( 0.004 0.060 1.839) 1.840 3.440 ( -1.551 1.839 -1.590) 2.884 3.493 ( 1.420 0.694 -2.467) 2.929 3.583 ( 1.699 -0.676 3.415) 3.874 3.636 ( -0.831 3.466 -0.241) 3.573 3.727 ( -0.763 0.471 -2.347) 2.512 3.750 ( -3.560 -3.573 -1.525) 5.270 3.807 ( -0.489 -2.180 -0.213) 2.245 3.820 ( -2.192 -2.574 -2.493) 4.201 3.922 ( -0.356 -4.099 1.470) 4.369 3.963 ( 1.486 -1.780 -1.824) 2.950 4.029 ( -5.877 -2.121 0.655) 6.282 4.076 ( 0.820 -4.209 -2.342) 4.886 4.162 ( -7.566 -4.327 -3.579) 9.422 4.228 ( 5.455 -0.488 2.698) 6.105 4.319 ( 1.084 2.060 0.871) 2.486 4.426 ( 4.495 -1.598 1.215) 4.923 4.458 ( -1.269 -2.196 4.011) 4.746 4.560 ( -3.624 3.304 -4.107) 6.396 4.598 ( -1.415 2.329 -0.569) 2.784 4.685 ( -0.761 -1.495 0.425) 1.731 4.715 ( -0.591 0.415 0.346) 0.801 4.794 ( 1.200 4.674 2.844) 5.601 4.829 ( 0.538 5.529 -0.234) 5.560 4.946 ( 1.681 1.345 1.068) 2.403 5.062 ( 2.384 -1.988 6.437) 7.147 5.309 ( -0.679 1.156 -1.991) 2.400 5.436 ( -4.673 -5.163 -7.329) 10.110 5.634 ( -1.199 0.036 0.141) 1.208 5.694 ( 0.296 -1.416 1.214) 1.889 5.749 ( 2.330 2.232 0.202) 3.233 5.798 ( 0.004 1.502 0.729) 1.670 5.954 ( 0.418 0.634 0.032) 0.759 5.990 ( -0.036 -1.133 0.201) 1.151 8.184 ( 1.368 0.766 -0.298) 1.596 8.197 ( 0.725 0.173 0.481) 0.887 8.220 ( -1.404 0.153 -0.247) 1.433 8.252 ( -0.159 -0.688 -0.290) 0.763 8.528 ( -0.123 -0.533 -0.003) 0.547 8.538 ( 0.035 -0.254 1.240) 1.266 8.547 ( -0.045 -0.820 -1.050) 1.333 8.576 ( 0.525 -0.764 1.371) 1.655 8.599 ( 0.177 0.026 -0.176) 0.250 8.620 ( -0.811 0.697 0.387) 1.137 8.639 ( -0.571 -0.473 -0.567) 0.934 8.670 ( -0.401 -0.090 -0.158) 0.441 8.974 ( 0.299 -0.011 0.108) 0.318 8.985 ( -0.055 -0.411 -0.183) 0.453 9.009 ( -0.525 0.519 -0.221) 0.771 9.030 ( -0.373 -0.282 0.104) 0.479 9.280 ( 0.237 0.660 -0.019) 0.701 9.307 ( 0.500 1.407 0.544) 1.589 9.331 ( -0.685 -0.434 -0.330) 0.876 9.393 ( -1.082 -2.112 0.011) 2.374 10.334 ( 0.832 -0.026 -0.206) 0.858 10.344 ( 0.740 -0.451 -0.402) 0.955 10.365 ( 0.588 1.434 -0.026) 1.550 10.430 ( -0.022 -0.660 0.015) 0.660 10.543 ( 0.448 -0.334 1.124) 1.255 10.555 ( 0.736 -0.197 0.976) 1.238 10.576 ( -0.163 -0.852 -0.057) 0.870 10.588 ( 0.593 -1.375 -0.610) 1.617 10.847 ( -0.537 0.463 -0.197) 0.736 10.874 ( -0.027 -0.293 0.086) 0.307 10.904 ( -0.130 1.826 0.151) 1.837 10.917 ( -1.127 1.077 -0.289) 1.585 13.295 ( 0.087 0.862 -0.123) 0.875 13.298 ( 0.205 0.595 -0.199) 0.660 13.376 ( -0.131 0.755 -0.018) 0.766 13.391 ( 0.163 0.291 0.100) 0.348 14.302 ( 0.329 0.204 0.341) 0.516 14.323 ( 0.906 -0.665 1.211) 1.652 14.351 ( -0.684 -0.810 -0.703) 1.271 14.358 ( -0.849 -0.624 -1.032) 1.475 14.496 ( -0.403 2.243 -0.755) 2.401 14.554 ( 0.161 0.069 0.207) 0.271 14.585 ( -0.793 4.514 -0.339) 4.595 14.658 ( 2.172 -0.787 1.059) 2.541 14.710 ( -0.670 0.781 -1.642) 1.937 14.758 ( -4.495 0.127 -3.359) 5.612 14.836 ( -0.089 4.084 0.240) 4.092 14.892 ( 0.191 1.962 0.090) 1.974 14.963 ( 1.822 3.332 1.915) 4.253 15.044 ( -1.559 -1.785 -1.825) 2.992 15.073 ( -0.748 -1.201 0.518) 1.506 15.085 ( 0.139 -1.939 0.137) 1.949 15.106 ( -0.492 1.049 0.030) 1.159 15.138 ( -0.148 0.633 0.112) 0.660 15.176 ( 0.087 -1.185 0.236) 1.212 15.287 ( -0.110 -3.872 0.708) 3.938 18.026 ( -0.235 0.096 1.159) 1.186 18.035 ( 0.168 0.067 -0.901) 0.919 18.045 ( 0.153 -0.381 1.111) 1.185 18.062 ( 0.238 -0.967 -0.673) 1.202 19.118 ( 0.581 -0.338 -0.377) 0.771 19.141 ( 1.164 -0.891 -1.723) 2.262 19.172 ( -0.257 1.039 1.304) 1.687 19.254 ( 0.669 -1.898 0.652) 2.115 21.472 ( -0.745 0.807 -0.253) 1.127 21.648 ( 0.191 -7.877 1.351) 7.994 21.889 ( -0.182 -0.150 0.234) 0.332 21.947 ( -0.818 -2.146 0.513) 2.353 22.139 ( -0.085 4.257 0.193) 4.262 22.147 ( 0.516 2.242 -0.989) 2.504 22.163 ( -0.651 2.372 0.635) 2.541 22.262 ( -0.767 0.165 -0.283) 0.834 23.960 ( 0.979 -0.001 0.967) 1.376 23.962 ( 0.927 -0.062 0.981) 1.351 24.001 ( -1.015 0.323 -1.008) 1.466 24.002 ( -0.841 0.245 -0.910) 1.263 27.447 ( -1.634 3.212 -1.837) 4.045 27.642 ( 0.065 0.987 -2.245) 2.453 27.665 ( -2.472 1.731 -1.621) 3.426 27.793 ( 1.188 3.055 0.743) 3.361 27.928 ( 4.241 -1.185 2.273) 4.956 28.032 ( -0.042 -6.591 2.004) 6.889 28.241 ( -8.021 7.417 -3.463) 11.460 28.592 ( -1.835 -5.121 2.611) 6.034 31.454 ( -0.636 1.255 -0.549) 1.511 31.483 ( -0.718 1.618 -0.450) 1.826 31.540 ( -0.678 -1.872 -0.527) 2.060 31.571 ( -0.524 -1.368 -0.661) 1.607 31.615 ( 0.804 -0.098 0.707) 1.075 31.646 ( -1.454 -1.864 -0.722) 2.472 31.920 ( -1.694 7.733 0.785) 7.955 32.255 ( -1.662 -5.820 3.304) 6.896 33.357 ( 0.337 1.009 -0.430) 1.148 33.397 ( 0.472 0.329 -0.444) 0.727 33.408 ( 1.075 -0.487 -0.938) 1.507 33.429 ( -0.367 -0.470 1.320) 1.449 36.391 ( -0.038 2.057 -0.284) 2.077 36.469 ( -0.624 -0.249 0.118) 0.682 36.484 ( -2.714 -0.348 0.081) 2.737 36.567 ( -0.161 -2.734 1.376) 3.066 36.573 ( -0.575 0.600 0.091) 0.837 36.669 ( -0.213 -3.423 0.323) 3.445 36.692 ( 0.685 5.052 -0.494) 5.122 36.847 ( 1.387 3.683 -1.411) 4.181 37.051 ( 0.116 -8.339 4.810) 9.628 37.089 ( 3.496 -5.033 -9.790) 11.549 37.659 ( 2.966 16.980 0.616) 17.248 38.310 ( 3.996 -10.836 3.760) 12.146 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 -18.999 0.000) 18.999 0.887 ( 0.000 18.999 0.000) 18.999 1.133 ( 0.000 -20.166 0.000) 20.166 1.133 ( 0.000 20.166 0.000) 20.166 1.372 ( 0.000 -12.915 0.000) 12.915 1.372 ( 0.000 12.915 0.000) 12.915 1.549 ( 0.000 -0.383 0.000) 0.383 1.549 ( 0.000 0.383 0.000) 0.383 1.628 ( 0.000 -4.073 0.000) 4.073 1.628 ( 0.000 4.073 0.000) 4.073 1.769 ( 0.000 -1.282 0.000) 1.282 1.769 ( 0.000 1.282 0.000) 1.282 2.053 ( 0.000 -1.736 0.000) 1.736 2.053 ( 0.000 1.736 0.000) 1.736 2.059 ( 0.000 -8.385 0.000) 8.385 2.059 ( 0.000 8.385 0.000) 8.385 2.205 ( 0.000 -2.951 0.000) 2.951 2.205 ( 0.000 2.951 0.000) 2.951 2.261 ( 0.000 -6.559 0.000) 6.559 2.261 ( 0.000 6.559 0.000) 6.559 2.387 ( 0.000 -0.767 0.000) 0.767 2.387 ( 0.000 0.767 0.000) 0.767 2.493 ( 0.000 -2.861 0.000) 2.861 2.493 ( 0.000 2.861 0.000) 2.861 2.564 ( 0.000 -2.522 0.000) 2.522 2.564 ( 0.000 2.522 0.000) 2.522 2.729 ( 0.000 -1.554 0.000) 1.554 2.729 ( 0.000 1.554 0.000) 1.554 2.950 ( 0.000 -0.160 0.000) 0.160 2.950 ( 0.000 0.160 0.000) 0.160 3.079 ( 0.000 -0.143 0.000) 0.143 3.079 ( 0.000 0.143 0.000) 0.143 3.175 ( 0.000 -0.833 0.000) 0.833 3.175 ( 0.000 0.833 0.000) 0.833 3.210 ( 0.000 -1.698 0.000) 1.698 3.210 ( 0.000 1.698 0.000) 1.698 3.570 ( 0.000 -5.271 0.000) 5.271 3.570 ( 0.000 5.271 0.000) 5.271 3.679 ( 0.000 -0.868 0.000) 0.868 3.679 ( 0.000 0.868 0.000) 0.868 3.719 ( 0.000 -5.419 0.000) 5.419 3.719 ( 0.000 5.419 0.000) 5.419 3.770 ( 0.000 -2.288 0.000) 2.288 3.770 ( 0.000 2.288 0.000) 2.288 3.910 ( 0.000 -0.709 0.000) 0.709 3.910 ( 0.000 0.709 0.000) 0.709 3.979 ( 0.000 -0.557 0.000) 0.557 3.979 ( 0.000 0.557 0.000) 0.557 4.026 ( 0.000 -4.182 0.000) 4.182 4.026 ( 0.000 4.182 0.000) 4.182 4.139 ( 0.000 -0.531 0.000) 0.531 4.139 ( 0.000 0.531 0.000) 0.531 4.273 ( 0.000 -0.657 0.000) 0.657 4.273 ( 0.000 0.657 0.000) 0.657 4.428 ( 0.000 -3.997 0.000) 3.997 4.428 ( 0.000 3.997 0.000) 3.997 4.556 ( 0.000 -7.056 0.000) 7.056 4.556 ( 0.000 7.056 0.000) 7.056 4.685 ( 0.000 -2.322 0.000) 2.322 4.685 ( 0.000 2.322 0.000) 2.322 4.833 ( 0.000 -1.587 0.000) 1.587 4.833 ( 0.000 1.587 0.000) 1.587 5.043 ( 0.000 -1.386 0.000) 1.386 5.043 ( 0.000 1.386 0.000) 1.386 5.303 ( 0.000 -0.309 0.000) 0.309 5.303 ( 0.000 0.309 0.000) 0.309 5.651 ( 0.000 -4.109 0.000) 4.109 5.651 ( 0.000 4.109 0.000) 4.109 5.814 ( 0.000 -1.149 0.000) 1.149 5.814 ( 0.000 1.149 0.000) 1.149 5.956 ( 0.000 -0.823 0.000) 0.823 5.956 ( 0.000 0.823 0.000) 0.823 8.144 ( 0.000 -0.185 0.000) 0.185 8.144 ( 0.000 0.185 0.000) 0.185 8.259 ( 0.000 -0.286 0.000) 0.286 8.259 ( 0.000 0.286 0.000) 0.286 8.554 ( 0.000 -0.624 0.000) 0.624 8.554 ( 0.000 0.624 0.000) 0.624 8.563 ( 0.000 -0.090 0.000) 0.090 8.563 ( 0.000 0.090 0.000) 0.090 8.634 ( 0.000 -0.782 0.000) 0.782 8.634 ( 0.000 0.782 0.000) 0.782 8.660 ( 0.000 -2.433 0.000) 2.433 8.660 ( 0.000 2.433 0.000) 2.433 8.980 ( 0.000 -0.147 0.000) 0.147 8.980 ( 0.000 0.147 0.000) 0.147 9.039 ( 0.000 -2.038 0.000) 2.038 9.039 ( 0.000 2.038 0.000) 2.038 9.321 ( 0.000 -2.876 0.000) 2.876 9.321 ( 0.000 2.876 0.000) 2.876 9.385 ( 0.000 -2.405 0.000) 2.405 9.385 ( 0.000 2.405 0.000) 2.405 10.250 ( 0.000 -0.427 0.000) 0.427 10.250 ( 0.000 0.427 0.000) 0.427 10.341 ( 0.000 -1.124 0.000) 1.124 10.341 ( 0.000 1.124 0.000) 1.124 10.501 ( 0.000 -0.196 0.000) 0.196 10.501 ( 0.000 0.196 0.000) 0.196 10.586 ( 0.000 -0.700 0.000) 0.700 10.586 ( 0.000 0.700 0.000) 0.700 10.903 ( 0.000 -0.510 0.000) 0.510 10.903 ( 0.000 0.510 0.000) 0.510 10.980 ( 0.000 -1.436 0.000) 1.436 10.980 ( 0.000 1.436 0.000) 1.436 13.310 ( 0.000 -0.520 0.000) 0.520 13.310 ( 0.000 0.520 0.000) 0.520 13.374 ( 0.000 -0.075 0.000) 0.075 13.374 ( 0.000 0.075 0.000) 0.075 14.318 ( 0.000 -0.705 0.000) 0.705 14.318 ( 0.000 0.705 0.000) 0.705 14.355 ( 0.000 -0.731 0.000) 0.731 14.355 ( 0.000 0.731 0.000) 0.731 14.519 ( 0.000 -1.943 0.000) 1.943 14.519 ( 0.000 1.943 0.000) 1.943 14.700 ( 0.000 -0.641 0.000) 0.641 14.700 ( 0.000 0.641 0.000) 0.641 14.726 ( 0.000 -1.191 0.000) 1.191 14.726 ( 0.000 1.191 0.000) 1.191 14.935 ( 0.000 -3.857 0.000) 3.857 14.935 ( 0.000 3.857 0.000) 3.857 15.002 ( 0.000 -5.074 0.000) 5.074 15.002 ( 0.000 5.074 0.000) 5.074 15.105 ( 0.000 -0.720 0.000) 0.720 15.105 ( 0.000 0.720 0.000) 0.720 15.169 ( 0.000 -0.445 0.000) 0.445 15.169 ( 0.000 0.445 0.000) 0.445 15.338 ( 0.000 -1.560 0.000) 1.560 15.338 ( 0.000 1.560 0.000) 1.560 18.004 ( 0.000 -0.070 0.000) 0.070 18.004 ( 0.000 0.070 0.000) 0.070 18.053 ( 0.000 -0.185 0.000) 0.185 18.053 ( 0.000 0.185 0.000) 0.185 19.093 ( 0.000 -0.947 0.000) 0.947 19.093 ( 0.000 0.947 0.000) 0.947 19.128 ( 0.000 -1.872 0.000) 1.872 19.128 ( 0.000 1.872 0.000) 1.872 21.437 ( 0.000 -3.765 0.000) 3.765 21.437 ( 0.000 3.765 0.000) 3.765 22.012 ( 0.000 -1.106 0.000) 1.106 22.012 ( 0.000 1.106 0.000) 1.106 22.123 ( 0.000 -1.110 0.000) 1.110 22.123 ( 0.000 1.110 0.000) 1.110 22.384 ( 0.000 -1.924 0.000) 1.924 22.384 ( 0.000 1.924 0.000) 1.924 23.980 ( 0.000 -0.057 0.000) 0.057 23.980 ( 0.000 0.057 0.000) 0.057 23.984 ( 0.000 -0.080 0.000) 0.080 23.984 ( 0.000 0.080 0.000) 0.080 27.520 ( 0.000 -2.806 0.000) 2.806 27.520 ( 0.000 2.806 0.000) 2.806 27.810 ( 0.000 -11.518 0.000) 11.518 27.810 ( 0.000 11.518 0.000) 11.518 27.946 ( 0.000 -8.580 0.000) 8.580 27.946 ( 0.000 8.580 0.000) 8.580 28.939 ( 0.000 -2.566 0.000) 2.566 28.939 ( 0.000 2.566 0.000) 2.566 31.531 ( 0.000 -0.774 0.000) 0.774 31.531 ( 0.000 0.774 0.000) 0.774 31.588 ( 0.000 -0.206 0.000) 0.206 31.588 ( 0.000 0.206 0.000) 0.206 31.703 ( 0.000 -2.928 0.000) 2.928 31.703 ( 0.000 2.928 0.000) 2.928 32.300 ( 0.000 -8.062 0.000) 8.062 32.300 ( 0.000 8.062 0.000) 8.062 33.312 ( 0.000 -0.124 0.000) 0.124 33.312 ( 0.000 0.124 0.000) 0.124 33.387 ( 0.000 -1.728 0.000) 1.728 33.387 ( 0.000 1.728 0.000) 1.728 36.430 ( 0.000 -1.278 0.000) 1.278 36.430 ( 0.000 1.278 0.000) 1.278 36.541 ( 0.000 -1.284 0.000) 1.284 36.541 ( 0.000 1.284 0.000) 1.284 36.660 ( 0.000 -0.002 0.000) 0.002 36.660 ( 0.000 0.002 0.000) 0.002 36.825 ( 0.000 -2.746 0.000) 2.746 36.825 ( 0.000 2.746 0.000) 2.746 37.130 ( 0.000 -5.552 0.000) 5.552 37.130 ( 0.000 5.552 0.000) 5.552 37.294 ( 0.000 -5.104 0.000) 5.104 37.294 ( 0.000 5.104 0.000) 5.104 ======================= Grid point 16 (10/54) ======================= q-point: ( 0.14 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 11.965 -10.808 5.419) 17.010 1.054 ( 11.965 10.808 5.419) 17.010 1.144 ( 8.128 -18.699 -9.580) 22.527 1.144 ( 8.128 18.699 -9.580) 22.527 1.450 ( 0.697 -3.858 -4.693) 6.115 1.450 ( 0.697 3.858 -4.693) 6.115 1.593 ( 2.692 -5.136 3.853) 6.962 1.593 ( 2.692 5.136 3.853) 6.962 1.644 ( 4.591 -11.028 5.080) 12.981 1.644 ( 4.591 11.028 5.080) 12.981 1.855 ( 7.797 -4.134 -3.005) 9.323 1.855 ( 7.797 4.134 -3.005) 9.323 1.986 ( 4.031 -4.610 -6.365) 8.833 1.986 ( 4.031 4.610 -6.365) 8.833 2.069 ( 2.223 -3.377 0.085) 4.044 2.069 ( 2.223 3.377 0.085) 4.044 2.236 ( 0.901 -3.624 -3.241) 4.945 2.236 ( 0.901 3.624 -3.241) 4.945 2.290 ( 1.355 -3.746 -0.531) 4.019 2.290 ( 1.355 3.746 -0.531) 4.019 2.387 ( -1.716 -3.404 4.426) 5.841 2.387 ( -1.716 3.404 4.426) 5.841 2.479 ( 1.939 -1.573 -1.497) 2.911 2.479 ( 1.939 1.573 -1.497) 2.911 2.638 ( 4.601 -2.452 0.023) 5.213 2.638 ( 4.601 2.452 0.023) 5.213 2.755 ( 2.107 -2.919 2.890) 4.617 2.755 ( 2.107 2.919 2.890) 4.617 3.003 ( 1.773 -0.841 3.717) 4.203 3.003 ( 1.773 0.841 3.717) 4.203 3.027 ( -3.168 -1.746 -2.076) 4.171 3.027 ( -3.168 1.746 -2.076) 4.171 3.165 ( 0.253 -3.729 4.833) 6.110 3.165 ( 0.253 3.729 4.833) 6.110 3.304 ( 2.062 -1.549 3.546) 4.384 3.304 ( 2.062 1.549 3.546) 4.384 3.534 ( -3.134 -3.446 -1.562) 4.913 3.534 ( -3.134 3.446 -1.562) 4.913 3.585 ( -3.304 -5.239 -2.037) 6.520 3.585 ( -3.304 5.239 -2.037) 6.520 3.686 ( -2.584 -6.211 -1.909) 6.992 3.686 ( -2.584 6.211 -1.909) 6.992 3.788 ( -2.651 -3.813 0.833) 4.718 3.788 ( -2.651 3.813 0.833) 4.718 3.854 ( -2.188 -2.453 -2.328) 4.028 3.854 ( -2.188 2.453 -2.328) 4.028 3.971 ( -2.229 -4.620 1.500) 5.344 3.971 ( -2.229 4.620 1.500) 5.344 4.042 ( -4.348 -1.906 0.746) 4.806 4.042 ( -4.348 1.906 0.746) 4.806 4.100 ( 2.055 -2.077 -3.443) 4.516 4.100 ( 2.055 2.077 -3.443) 4.516 4.282 ( -0.304 -2.419 3.180) 4.007 4.282 ( -0.304 2.419 3.180) 4.007 4.401 ( -0.722 -0.598 -4.450) 4.548 4.401 ( -0.722 0.598 -4.450) 4.548 4.615 ( 3.601 -6.471 2.531) 7.826 4.615 ( 3.601 6.471 2.531) 7.826 4.693 ( 0.015 -2.477 2.073) 3.230 4.693 ( 0.015 2.477 2.073) 3.230 4.807 ( -0.471 -1.955 -2.995) 3.608 4.807 ( -0.471 1.955 -2.995) 3.608 4.939 ( -4.503 -0.631 -1.123) 4.684 4.939 ( -4.503 0.631 -1.123) 4.684 5.455 ( 6.894 -0.992 5.052) 8.605 5.455 ( 6.894 0.992 5.052) 8.605 5.634 ( -0.598 -3.947 -2.663) 4.799 5.634 ( -0.598 3.947 -2.663) 4.799 5.780 ( -2.055 -0.643 -1.303) 2.517 5.780 ( -2.055 0.643 -1.303) 2.517 5.956 ( 0.449 -1.422 -1.107) 1.858 5.956 ( 0.449 1.422 -1.107) 1.858 8.150 ( 0.765 -0.054 -0.165) 0.785 8.150 ( 0.765 0.054 -0.165) 0.785 8.256 ( -0.260 -0.503 0.121) 0.579 8.256 ( -0.260 0.503 0.121) 0.579 8.537 ( -0.624 -0.678 0.391) 1.001 8.537 ( -0.624 0.678 0.391) 1.001 8.580 ( -1.594 -1.259 0.852) 2.202 8.580 ( -1.594 1.259 0.852) 2.202 8.602 ( -0.378 -0.663 -0.069) 0.766 8.602 ( -0.378 0.663 -0.069) 0.766 8.672 ( 0.040 -2.889 0.590) 2.949 8.672 ( 0.040 2.889 0.590) 2.949 8.985 ( 0.311 -0.946 -0.150) 1.007 8.985 ( 0.311 0.946 -0.150) 1.007 9.028 ( -0.669 -1.328 -0.007) 1.487 9.028 ( -0.669 1.328 -0.007) 1.487 9.318 ( -0.465 -1.660 0.247) 1.741 9.318 ( -0.465 1.660 0.247) 1.741 9.379 ( -0.783 -1.794 0.318) 1.983 9.379 ( -0.783 1.794 0.318) 1.983 10.279 ( 2.102 -0.625 0.301) 2.213 10.279 ( 2.102 0.625 0.301) 2.213 10.352 ( 1.337 -1.261 -0.538) 1.915 10.352 ( 1.337 1.261 -0.538) 1.915 10.502 ( 0.000 -0.463 0.470) 0.659 10.502 ( 0.000 0.463 0.470) 0.659 10.584 ( 0.117 -0.327 -0.702) 0.783 10.584 ( 0.117 0.327 -0.702) 0.783 10.894 ( -0.746 -0.426 -0.189) 0.880 10.894 ( -0.746 0.427 -0.189) 0.880 10.969 ( -0.702 -0.518 -0.497) 1.004 10.969 ( -0.702 0.518 -0.497) 1.004 13.305 ( 0.007 -0.357 -0.690) 0.777 13.305 ( 0.007 0.357 -0.690) 0.777 13.381 ( 0.287 -0.150 0.425) 0.535 13.381 ( 0.287 0.150 0.425) 0.535 14.303 ( -0.632 -0.105 -0.600) 0.878 14.303 ( -0.632 0.105 -0.600) 0.878 14.367 ( 0.421 -0.553 0.685) 0.976 14.367 ( 0.421 0.553 0.685) 0.976 14.537 ( 1.362 -1.836 0.681) 2.386 14.537 ( 1.362 1.836 0.681) 2.386 14.629 ( -1.684 -0.428 -3.240) 3.676 14.629 ( -1.684 0.428 -3.240) 3.676 14.823 ( 3.358 -1.807 4.071) 5.578 14.823 ( 3.358 1.807 4.071) 5.578 14.918 ( -1.409 -2.195 -1.759) 3.146 14.918 ( -1.409 2.195 -1.759) 3.146 14.992 ( -0.499 -2.524 -0.259) 2.586 14.992 ( -0.499 2.524 -0.259) 2.586 15.104 ( -0.458 -0.299 0.603) 0.814 15.104 ( -0.458 0.299 0.603) 0.814 15.164 ( -0.637 -0.251 0.402) 0.794 15.164 ( -0.637 0.251 0.402) 0.794 15.279 ( -4.379 -1.416 -1.473) 4.833 15.279 ( -4.379 1.416 -1.473) 4.833 18.005 ( 0.155 -0.224 0.150) 0.311 18.005 ( 0.155 0.224 0.150) 0.311 18.054 ( -0.028 -0.264 0.200) 0.332 18.054 ( -0.028 0.264 0.200) 0.332 19.105 ( 1.847 -1.327 -2.101) 3.096 19.105 ( 1.847 1.327 -2.101) 3.096 19.141 ( 0.704 -2.037 1.548) 2.654 19.141 ( 0.704 2.037 1.548) 2.654 21.465 ( 1.116 -1.597 2.543) 3.204 21.465 ( 1.116 1.597 2.543) 3.204 21.980 ( -2.777 -2.495 0.151) 3.736 21.980 ( -2.777 2.495 0.151) 3.736 22.132 ( 1.032 -1.473 -0.521) 1.873 22.132 ( 1.032 1.473 -0.521) 1.873 22.345 ( -3.108 -0.112 -0.303) 3.125 22.345 ( -3.108 0.112 -0.303) 3.125 23.951 ( -0.733 -0.076 -0.956) 1.207 23.951 ( -0.733 0.076 -0.956) 1.207 24.013 ( 0.730 -0.078 0.967) 1.214 24.013 ( 0.730 0.078 0.967) 1.214 27.603 ( 4.481 -3.700 4.272) 7.213 27.603 ( 4.481 3.700 4.272) 7.213 27.803 ( -1.914 -9.010 1.497) 9.332 27.803 ( -1.914 9.010 1.497) 9.332 27.901 ( -1.683 -7.078 -3.556) 8.097 27.901 ( -1.683 7.078 -3.556) 8.097 28.790 ( -11.952 -2.175 -1.773) 12.277 28.790 ( -11.952 2.175 -1.773) 12.277 31.529 ( -0.429 -1.255 -0.285) 1.357 31.529 ( -0.429 1.255 -0.285) 1.357 31.590 ( -0.284 -0.645 0.904) 1.146 31.590 ( -0.284 0.645 0.904) 1.146 31.673 ( -1.631 -2.299 -2.530) 3.788 31.673 ( -1.631 2.299 -2.530) 3.788 32.224 ( -8.129 -6.860 5.003) 11.754 32.224 ( -8.129 6.860 5.003) 11.754 33.337 ( 2.858 -0.171 -1.897) 3.434 33.337 ( 2.858 0.171 -1.897) 3.434 33.393 ( -0.059 -1.500 1.211) 1.929 33.393 ( -0.059 1.500 1.211) 1.929 36.449 ( 0.924 -0.910 0.576) 1.419 36.449 ( 0.924 0.910 0.576) 1.419 36.533 ( -1.023 -1.029 0.965) 1.743 36.533 ( -1.023 1.029 0.965) 1.743 36.663 ( -1.147 -0.400 2.126) 2.449 36.663 ( -1.147 0.400 2.126) 2.449 36.826 ( 1.665 -3.928 -7.164) 8.338 36.826 ( 1.665 3.928 -7.164) 8.338 36.987 ( -1.869 -1.570 -5.213) 5.756 36.987 ( -1.869 1.570 -5.213) 5.756 37.551 ( 13.932 -10.486 5.988) 18.437 37.551 ( 13.932 10.486 5.988) 18.437 ======================= Grid point 18 (11/54) ======================= q-point: ( 0.29 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 8.070 -10.568 -7.873) 15.453 1.221 ( 8.070 10.568 -7.873) 15.453 1.319 ( 4.987 -2.055 0.548) 5.421 1.319 ( 4.987 2.055 0.548) 5.421 1.452 ( 11.388 -9.740 5.195) 15.860 1.452 ( 11.388 9.740 5.195) 15.860 1.689 ( 3.516 -5.266 -0.415) 6.346 1.689 ( 3.516 5.266 -0.415) 6.346 1.849 ( 1.355 -5.543 -2.121) 6.088 1.849 ( 1.355 5.543 -2.121) 6.088 1.923 ( 3.635 -2.820 2.190) 5.095 1.923 ( 3.635 2.820 2.190) 5.095 1.983 ( 3.807 -6.364 0.431) 7.428 1.983 ( 3.807 6.364 0.431) 7.428 2.157 ( 0.248 -6.432 -3.432) 7.294 2.157 ( 0.248 6.432 -3.432) 7.294 2.273 ( 14.154 -3.901 -7.432) 16.456 2.273 ( 14.154 3.901 -7.432) 16.456 2.349 ( -0.409 -2.550 3.832) 4.622 2.349 ( -0.409 2.550 3.832) 4.622 2.445 ( 3.961 -6.268 0.219) 7.418 2.445 ( 3.961 6.268 0.219) 7.418 2.535 ( 7.122 -0.809 4.249) 8.333 2.535 ( 7.122 0.809 4.249) 8.333 2.694 ( 2.341 -3.663 -2.275) 4.906 2.694 ( 2.341 3.663 -2.275) 4.906 2.857 ( 3.367 -5.659 2.697) 7.116 2.857 ( 3.367 5.659 2.697) 7.116 2.931 ( -3.586 -1.210 -1.140) 3.953 2.931 ( -3.586 1.210 -1.140) 3.953 3.076 ( 1.194 -1.193 1.996) 2.614 3.076 ( 1.194 1.193 1.996) 2.614 3.211 ( 0.028 -2.074 3.170) 3.788 3.211 ( 0.028 2.074 3.170) 3.788 3.310 ( -3.141 -1.469 2.572) 4.317 3.310 ( -3.141 1.469 2.572) 4.317 3.405 ( -5.829 -4.074 -1.036) 7.187 3.405 ( -5.829 4.074 -1.036) 7.187 3.519 ( -4.918 -0.376 -2.412) 5.491 3.519 ( -4.918 0.376 -2.412) 5.491 3.594 ( -6.687 -1.347 -1.998) 7.108 3.594 ( -6.687 1.347 -1.998) 7.108 3.744 ( 1.238 -8.540 2.594) 9.011 3.744 ( 1.238 8.540 2.594) 9.011 3.794 ( -3.429 -2.203 -0.132) 4.078 3.794 ( -3.429 2.203 -0.132) 4.078 3.895 ( -4.039 -0.423 -3.411) 5.303 3.895 ( -4.039 0.423 -3.411) 5.303 3.983 ( 0.144 -3.834 -4.961) 6.272 3.983 ( 0.144 3.834 -4.961) 6.272 4.140 ( 1.706 -3.567 3.705) 5.418 4.140 ( 1.706 3.567 3.705) 5.418 4.261 ( -2.969 -1.703 -3.349) 4.788 4.261 ( -2.969 1.703 -3.349) 4.788 4.366 ( 1.055 -4.226 0.346) 4.370 4.366 ( 1.055 4.226 0.346) 4.370 4.659 ( -0.434 -1.520 -0.284) 1.606 4.659 ( -0.434 1.520 -0.284) 1.606 4.710 ( -1.016 -1.903 0.517) 2.218 4.710 ( -1.016 1.903 0.517) 2.218 4.822 ( 1.508 -2.297 5.919) 6.526 4.822 ( 1.508 2.297 5.919) 6.526 4.910 ( 1.550 -3.019 0.277) 3.405 4.910 ( 1.550 3.019 0.277) 3.405 5.499 ( -3.782 -5.289 -5.226) 8.342 5.499 ( -3.782 5.289 -5.226) 8.342 5.628 ( 1.251 -1.328 2.486) 3.083 5.628 ( 1.251 1.328 2.486) 3.083 5.759 ( 1.672 -1.903 -1.183) 2.796 5.759 ( 1.672 1.903 -1.183) 2.796 5.959 ( 0.255 -1.203 0.385) 1.289 5.959 ( 0.255 1.203 0.385) 1.289 8.170 ( 1.316 -0.287 -0.039) 1.347 8.170 ( 1.316 0.287 -0.039) 1.347 8.250 ( -0.484 -0.512 -0.211) 0.735 8.250 ( -0.484 0.512 -0.211) 0.735 8.533 ( -0.442 -0.628 0.845) 1.142 8.533 ( -0.442 0.628 0.845) 1.142 8.550 ( -1.128 -0.473 0.245) 1.247 8.550 ( -1.128 0.473 0.245) 1.247 8.606 ( -0.218 -1.100 1.065) 1.546 8.606 ( -0.218 1.100 1.065) 1.546 8.670 ( -0.396 -1.478 -0.173) 1.540 8.670 ( -0.396 1.478 -0.173) 1.540 8.982 ( -0.143 -0.657 -0.468) 0.819 8.982 ( -0.143 0.657 -0.468) 0.819 9.023 ( -0.168 -0.169 0.319) 0.399 9.023 ( -0.168 0.169 0.319) 0.399 9.308 ( -0.594 -0.970 0.116) 1.143 9.308 ( -0.594 0.970 0.116) 1.143 9.364 ( -0.932 -2.017 0.211) 2.232 9.364 ( -0.932 2.017 0.211) 2.232 10.316 ( 1.693 -0.445 -0.398) 1.795 10.316 ( 1.693 0.445 -0.398) 1.795 10.380 ( 1.602 -1.823 0.031) 2.427 10.380 ( 1.602 1.823 0.031) 2.427 10.515 ( 0.668 -0.701 1.117) 1.478 10.515 ( 0.668 0.701 1.117) 1.478 10.579 ( 0.049 -0.223 -0.843) 0.874 10.579 ( 0.049 0.223 -0.843) 0.874 10.875 ( -0.928 -0.459 -0.117) 1.042 10.875 ( -0.928 0.459 -0.117) 1.042 10.948 ( -0.951 -0.420 -0.509) 1.157 10.948 ( -0.951 0.420 -0.509) 1.157 13.303 ( 0.311 -0.073 -0.480) 0.577 13.303 ( 0.311 0.073 -0.480) 0.577 13.388 ( 0.136 -0.260 0.252) 0.387 13.388 ( 0.136 0.260 0.252) 0.387 14.296 ( 0.145 -0.204 0.188) 0.313 14.296 ( 0.145 0.204 0.188) 0.313 14.369 ( -0.499 -0.540 -0.346) 0.813 14.369 ( -0.499 0.540 -0.346) 0.813 14.559 ( -0.377 -0.458 -0.787) 0.985 14.559 ( -0.377 0.458 -0.787) 0.985 14.601 ( 1.438 -0.759 -0.323) 1.658 14.601 ( 1.438 0.759 -0.323) 1.658 14.836 ( -3.538 -2.291 -3.599) 5.543 14.836 ( -3.538 2.291 -3.599) 5.543 14.908 ( 2.067 -0.319 1.919) 2.838 14.908 ( 2.067 0.319 1.919) 2.838 14.981 ( -0.935 -4.548 0.375) 4.658 14.981 ( -0.935 4.548 0.375) 4.658 15.090 ( -1.944 -0.453 1.077) 2.268 15.090 ( -1.944 0.453 1.077) 2.268 15.156 ( -0.417 -0.608 0.253) 0.779 15.156 ( -0.417 0.608 0.253) 0.779 15.199 ( -1.770 -4.183 -1.060) 4.664 15.199 ( -1.770 4.183 -1.060) 4.664 18.015 ( 0.354 -0.247 0.941) 1.035 18.015 ( 0.354 0.247 0.941) 1.035 18.052 ( -0.100 -0.568 -0.367) 0.683 18.052 ( -0.100 0.568 -0.367) 0.683 19.117 ( 1.418 -0.990 -2.297) 2.875 19.117 ( 1.418 0.990 -2.297) 2.875 19.178 ( 1.193 -2.026 1.840) 2.985 19.178 ( 1.193 2.026 1.840) 2.985 21.504 ( 0.517 -2.298 1.956) 3.062 21.504 ( 0.517 2.298 1.956) 3.062 21.931 ( -2.187 -2.080 0.269) 3.030 21.931 ( -2.187 2.080 0.269) 3.030 22.149 ( 0.893 -0.559 -0.045) 1.054 22.149 ( 0.893 0.559 -0.045) 1.054 22.284 ( -2.661 -1.852 -0.304) 3.256 22.284 ( -2.661 1.852 -0.304) 3.256 23.943 ( 0.247 -0.096 0.173) 0.317 23.943 ( 0.247 0.096 0.173) 0.317 24.022 ( -0.217 -0.046 -0.136) 0.260 24.022 ( -0.217 0.046 -0.136) 0.260 27.636 ( -3.299 -5.255 -2.789) 6.803 27.636 ( -3.299 5.255 -2.789) 6.803 27.799 ( 0.739 -5.328 2.932) 6.126 27.799 ( 0.739 5.328 2.932) 6.126 27.875 ( 0.913 -2.870 -0.751) 3.104 27.875 ( 0.913 2.870 -0.751) 3.104 28.555 ( -9.697 -3.884 -0.314) 10.451 28.555 ( -9.697 3.884 -0.314) 10.451 31.508 ( -1.041 -1.187 -0.557) 1.675 31.508 ( -1.041 1.187 -0.557) 1.675 31.575 ( -1.477 -1.180 -1.595) 2.474 31.575 ( -1.477 1.180 -1.595) 2.474 31.627 ( -0.921 -1.615 -0.232) 1.874 31.627 ( -0.921 1.615 -0.232) 1.874 32.134 ( -5.422 -7.617 4.819) 10.519 32.134 ( -5.422 7.617 4.819) 10.519 33.370 ( 2.201 -0.797 -2.137) 3.169 33.370 ( 2.201 0.797 -2.137) 3.169 33.404 ( -0.060 -0.997 1.546) 1.841 33.404 ( -0.060 0.997 1.546) 1.841 36.456 ( -0.293 -2.251 -0.394) 2.304 36.456 ( -0.293 2.251 -0.394) 2.304 36.522 ( -1.782 -0.323 2.226) 2.870 36.522 ( -1.782 0.323 2.226) 2.870 36.634 ( -2.533 -1.671 0.434) 3.065 36.634 ( -2.533 1.671 0.434) 3.065 36.797 ( 1.125 -5.395 -1.572) 5.730 36.797 ( 1.125 5.395 -1.572) 5.730 36.981 ( 4.769 -4.700 -7.699) 10.203 36.981 ( 4.769 4.700 -7.699) 10.203 37.843 ( 10.148 -14.330 5.513) 18.404 37.843 ( 10.148 14.330 5.513) 18.404 ======================= Grid point 20 (12/54) ======================= q-point: ( 0.43 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 5.388 -0.701 0.850) 5.499 1.296 ( 5.388 0.701 0.850) 5.499 1.514 ( 7.689 -5.496 2.169) 9.697 1.514 ( 7.689 5.496 2.169) 9.697 1.597 ( -1.553 -3.516 -5.418) 6.643 1.597 ( -1.553 3.516 -5.418) 6.643 1.716 ( 3.027 -6.653 2.436) 7.704 1.716 ( 3.027 6.653 2.436) 7.704 1.806 ( 1.824 -3.582 -1.418) 4.263 1.806 ( 1.824 3.582 -1.418) 4.263 1.957 ( -4.308 -6.870 0.985) 8.169 1.957 ( -4.308 6.870 0.985) 8.169 2.012 ( -1.019 -3.762 0.600) 3.944 2.012 ( -1.019 3.762 0.600) 3.944 2.191 ( 2.784 -5.978 0.085) 6.595 2.191 ( 2.784 5.978 0.085) 6.595 2.344 ( 0.775 -3.441 -1.627) 3.885 2.344 ( 0.775 3.441 -1.627) 3.885 2.490 ( 8.787 -3.010 -0.984) 9.340 2.490 ( 8.787 3.010 -0.984) 9.340 2.554 ( 7.647 -3.616 -1.628) 8.615 2.554 ( 7.647 3.616 -1.628) 8.615 2.691 ( 0.893 -2.549 2.001) 3.361 2.691 ( 0.893 2.549 2.001) 3.361 2.739 ( 3.557 -2.489 1.805) 4.702 2.739 ( 3.557 2.489 1.805) 4.702 2.831 ( -2.682 -1.784 -0.131) 3.224 2.831 ( -2.682 1.784 -0.131) 3.224 2.870 ( -3.992 -3.834 -1.321) 5.690 2.870 ( -3.992 3.834 -1.321) 5.690 3.089 ( -3.607 -1.916 0.164) 4.087 3.089 ( -3.607 1.916 0.164) 4.087 3.192 ( 1.401 -1.113 -0.828) 1.972 3.192 ( 1.401 1.113 -0.828) 1.972 3.275 ( -0.152 -1.766 2.428) 3.006 3.275 ( -0.152 1.766 2.428) 3.006 3.381 ( -2.803 -1.975 0.690) 3.497 3.381 ( -2.803 1.975 0.690) 3.497 3.436 ( -1.139 -1.784 0.515) 2.178 3.436 ( -1.139 1.784 0.515) 2.178 3.503 ( 0.900 -3.261 1.195) 3.588 3.503 ( 0.900 3.261 1.195) 3.588 3.688 ( -3.182 -2.718 -2.021) 4.647 3.688 ( -3.182 2.718 -2.021) 4.647 3.778 ( -2.577 -1.394 -3.528) 4.586 3.778 ( -2.577 1.394 -3.528) 4.586 3.843 ( 1.633 -4.530 3.145) 5.751 3.843 ( 1.633 4.530 3.145) 5.751 3.948 ( -0.161 -4.222 -3.042) 5.206 3.948 ( -0.161 4.222 -3.042) 5.206 4.059 ( -5.554 -4.093 -3.184) 7.598 4.059 ( -5.554 4.093 -3.184) 7.598 4.298 ( 3.086 -4.818 1.899) 6.029 4.298 ( 3.086 4.818 1.899) 6.029 4.404 ( 1.092 -2.459 1.627) 3.144 4.404 ( 1.092 2.459 1.627) 3.144 4.618 ( -1.880 -2.097 -0.709) 2.904 4.618 ( -1.880 2.097 -0.709) 2.904 4.699 ( -0.377 -2.152 0.230) 2.197 4.699 ( -0.377 2.152 0.230) 2.197 4.896 ( 1.427 -4.145 1.600) 4.667 4.896 ( 1.427 4.145 1.600) 4.667 4.974 ( 1.898 -5.807 3.991) 7.298 4.974 ( 1.898 5.807 3.991) 7.298 5.353 ( -3.794 -3.061 -5.324) 7.218 5.353 ( -3.794 3.061 -5.324) 7.218 5.655 ( 0.113 -1.917 0.844) 2.098 5.655 ( 0.113 1.917 0.844) 2.098 5.795 ( 1.475 -1.652 0.020) 2.214 5.795 ( 1.475 1.652 0.020) 2.214 5.969 ( 0.096 -0.833 0.589) 1.025 5.969 ( 0.096 0.833 0.589) 1.025 8.197 ( 1.213 -0.304 0.180) 1.263 8.197 ( 1.213 0.304 0.180) 1.263 8.232 ( -0.910 -1.001 -0.412) 1.414 8.232 ( -0.910 1.001 -0.412) 1.414 8.530 ( -0.493 -0.608 0.034) 0.784 8.530 ( -0.493 0.608 0.034) 0.784 8.544 ( 0.091 -0.949 0.595) 1.124 8.544 ( 0.091 0.949 0.595) 1.124 8.615 ( 0.139 -0.964 0.838) 1.285 8.615 ( 0.139 0.964 0.838) 1.285 8.656 ( -0.474 -1.256 -0.640) 1.487 8.656 ( -0.474 1.256 -0.640) 1.487 8.976 ( -0.086 -0.323 -0.202) 0.391 8.976 ( -0.086 0.323 -0.202) 0.391 9.021 ( -0.145 -0.551 0.059) 0.573 9.021 ( -0.145 0.551 0.059) 0.573 9.302 ( -0.122 -1.282 0.094) 1.292 9.302 ( -0.122 1.282 0.094) 1.292 9.350 ( -0.492 -1.872 0.000) 1.935 9.350 ( -0.492 1.872 0.000) 1.935 10.336 ( 0.715 -0.236 -0.316) 0.817 10.336 ( 0.715 0.236 -0.316) 0.817 10.403 ( 0.536 -1.908 0.147) 1.987 10.403 ( 0.536 1.908 0.147) 1.987 10.544 ( 0.800 -0.520 1.556) 1.825 10.544 ( 0.800 0.520 1.556) 1.825 10.569 ( -0.139 -0.230 -1.159) 1.190 10.569 ( -0.139 0.230 -1.159) 1.190 10.862 ( -0.336 -0.792 0.041) 0.861 10.862 ( -0.336 0.792 0.041) 0.861 10.929 ( -0.537 -0.270 -0.270) 0.659 10.929 ( -0.537 0.270 -0.270) 0.659 13.306 ( 0.227 -0.033 -0.118) 0.258 13.306 ( 0.227 0.033 -0.118) 0.258 13.390 ( -0.006 -0.408 0.042) 0.410 13.390 ( -0.006 0.408 0.042) 0.410 14.309 ( 0.582 -0.512 0.641) 1.006 14.309 ( 0.582 0.512 0.641) 1.006 14.348 ( -0.769 -0.304 -0.818) 1.163 14.348 ( -0.769 0.304 -0.818) 1.163 14.538 ( -0.320 -1.571 -0.866) 1.822 14.538 ( -0.320 1.571 -0.866) 1.822 14.642 ( 1.587 -1.156 1.213) 2.307 14.642 ( 1.587 1.156 1.213) 2.307 14.737 ( -2.777 -1.485 -2.577) 4.069 14.737 ( -2.777 1.485 -2.577) 4.069 14.947 ( 0.479 -3.169 0.518) 3.246 14.947 ( 0.479 3.169 0.518) 3.246 14.970 ( 0.068 -4.456 0.043) 4.457 14.970 ( 0.068 4.456 0.043) 4.457 15.060 ( -1.451 -1.216 0.570) 1.977 15.060 ( -1.451 1.216 0.570) 1.977 15.154 ( -0.001 -1.035 0.035) 1.036 15.154 ( -0.001 1.035 0.035) 1.036 15.183 ( -0.038 -5.384 -0.134) 5.386 15.183 ( -0.038 5.384 -0.134) 5.386 18.031 ( 0.184 -0.597 1.349) 1.486 18.031 ( 0.184 0.597 1.349) 1.486 18.044 ( -0.054 -0.688 -1.045) 1.252 18.044 ( -0.054 0.688 -1.045) 1.252 19.121 ( 0.490 -0.700 -0.823) 1.186 19.121 ( 0.490 0.700 -0.823) 1.186 19.208 ( 0.583 -2.249 0.706) 2.429 19.208 ( 0.583 2.249 0.706) 2.429 21.519 ( 0.006 -4.130 0.550) 4.167 21.519 ( 0.006 4.130 0.550) 4.167 21.906 ( -0.677 -1.568 0.200) 1.720 21.906 ( -0.677 1.568 0.200) 1.720 22.163 ( 0.421 -0.216 0.159) 0.499 22.163 ( 0.421 0.216 0.159) 0.499 22.244 ( -1.080 -2.384 -0.223) 2.627 22.244 ( -1.080 2.384 -0.223) 2.627 23.961 ( 0.853 -0.063 0.863) 1.215 23.961 ( 0.853 0.063 0.863) 1.215 24.005 ( -0.832 -0.042 -0.840) 1.183 24.005 ( -0.832 0.042 -0.840) 1.183 27.543 ( -2.132 -5.518 -2.141) 6.291 27.543 ( -2.132 5.518 -2.141) 6.291 27.817 ( -0.379 -7.836 0.780) 7.884 27.817 ( -0.379 7.836 0.780) 7.884 27.900 ( 1.052 -6.202 0.062) 6.291 27.900 ( 1.052 6.202 0.062) 6.291 28.434 ( -3.082 -9.600 0.492) 10.095 28.434 ( -3.082 9.600 0.492) 10.095 31.489 ( -0.307 -1.903 -0.469) 1.984 31.489 ( -0.307 1.903 -0.469) 1.984 31.532 ( -1.111 -2.053 -0.705) 2.438 31.532 ( -1.111 2.053 -0.705) 2.438 31.621 ( -0.141 -0.675 0.157) 0.707 31.621 ( -0.141 0.675 0.157) 0.707 32.098 ( -1.665 -8.756 1.828) 9.098 32.098 ( -1.665 8.756 1.828) 9.098 33.382 ( 0.581 -1.268 -0.757) 1.587 33.382 ( 0.581 1.268 -0.757) 1.587 33.416 ( 0.157 -0.753 0.527) 0.932 33.416 ( 0.157 0.753 0.527) 0.932 36.440 ( -0.519 -2.221 -0.459) 2.327 36.440 ( -0.519 2.221 -0.459) 2.327 36.507 ( -1.068 -2.377 1.128) 2.839 36.507 ( -1.068 2.377 1.128) 2.839 36.607 ( -0.481 -2.452 -0.035) 2.499 36.607 ( -0.481 2.452 -0.035) 2.499 36.818 ( 0.809 -6.406 0.189) 6.460 36.818 ( 0.809 6.406 0.189) 6.460 36.997 ( 1.959 -3.704 -3.340) 5.358 36.997 ( 1.959 3.704 -3.340) 5.358 38.015 ( 3.610 -16.633 2.296) 17.174 38.015 ( 3.610 16.633 2.296) 17.174 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 2.132 0.000 26.884) 26.968 0.529 ( 13.373 0.000 28.152) 31.167 0.710 ( -10.649 0.000 37.726) 39.200 1.347 ( -2.134 0.000 -5.828) 6.207 1.405 ( -3.142 0.000 -3.494) 4.699 1.445 ( -2.133 0.000 -0.209) 2.144 1.544 ( 3.274 0.000 1.330) 3.533 1.563 ( -1.817 0.000 -3.333) 3.796 1.648 ( -4.042 0.000 -2.996) 5.031 1.663 ( -1.728 0.000 3.602) 3.995 1.813 ( 3.339 0.000 -5.329) 6.289 1.863 ( -2.527 0.000 -1.479) 2.928 1.935 ( -3.508 0.000 -5.530) 6.548 1.983 ( -1.110 0.000 -11.370) 11.424 2.057 ( 3.184 0.000 4.544) 5.549 2.100 ( -0.931 0.000 8.132) 8.186 2.157 ( 1.288 0.000 1.594) 2.049 2.170 ( 5.462 0.000 -0.404) 5.477 2.315 ( -1.074 0.000 -1.961) 2.235 2.325 ( -0.238 0.000 -0.786) 0.821 2.410 ( 2.415 0.000 -10.934) 11.198 2.475 ( 1.582 0.000 -2.903) 3.306 2.503 ( -5.519 0.000 -0.530) 5.544 2.540 ( -0.015 0.000 -2.441) 2.441 2.568 ( -1.582 0.000 1.176) 1.971 2.647 ( -2.146 0.000 -8.750) 9.010 2.692 ( 1.621 0.000 0.221) 1.636 2.779 ( 4.091 0.000 2.986) 5.065 2.919 ( -2.396 0.000 5.727) 6.208 2.968 ( -2.354 0.000 10.167) 10.436 3.131 ( -7.616 0.000 -4.109) 8.653 3.138 ( -1.659 0.000 -6.533) 6.741 3.193 ( -6.083 0.000 3.594) 7.066 3.300 ( -0.055 0.000 0.113) 0.126 3.300 ( 3.129 0.000 -0.349) 3.149 3.341 ( 0.674 0.000 1.413) 1.566 3.472 ( 0.141 0.000 0.872) 0.883 3.479 ( 2.762 0.000 2.397) 3.657 3.549 ( 0.016 0.000 0.591) 0.591 3.613 ( 5.859 0.000 -2.068) 6.213 3.625 ( -7.803 0.000 -2.447) 8.178 3.637 ( 4.953 0.000 0.730) 5.006 3.710 ( 2.383 0.000 -1.765) 2.965 3.767 ( 1.575 0.000 3.484) 3.823 3.813 ( 2.742 0.000 -3.050) 4.101 3.847 ( -0.326 0.000 -0.433) 0.542 3.930 ( 2.555 0.000 2.162) 3.347 3.965 ( 1.007 0.000 2.762) 2.940 3.981 ( -4.976 0.000 0.883) 5.053 4.081 ( 2.288 0.000 -2.714) 3.550 4.161 ( -0.031 0.000 -1.047) 1.047 4.231 ( 2.577 0.000 -3.397) 4.264 4.273 ( -3.932 0.000 0.626) 3.982 4.311 ( -3.130 0.000 -3.534) 4.721 4.336 ( 0.055 0.000 -1.920) 1.921 4.467 ( 3.719 0.000 5.867) 6.947 4.476 ( -1.623 0.000 3.141) 3.535 4.636 ( 2.291 0.000 -3.004) 3.778 4.649 ( 2.123 0.000 1.198) 2.438 4.808 ( 1.120 0.000 1.838) 2.152 4.838 ( -2.065 0.000 -5.820) 6.176 4.873 ( 2.851 0.000 1.801) 3.372 4.934 ( -4.136 0.000 -5.730) 7.067 5.157 ( -22.301 0.000 -1.918) 22.384 5.299 ( 9.307 0.000 8.395) 12.534 5.408 ( 13.397 0.000 2.608) 13.649 5.473 ( -3.260 0.000 -1.459) 3.572 5.728 ( -0.403 0.000 1.317) 1.377 5.734 ( -0.401 0.000 1.077) 1.149 5.815 ( -3.620 0.000 -5.370) 6.476 6.030 ( 0.873 0.000 2.821) 2.953 6.192 ( -15.580 0.000 -1.959) 15.703 8.142 ( 0.543 0.000 -0.103) 0.552 8.147 ( -1.003 0.000 -0.451) 1.100 8.256 ( 0.393 0.000 0.501) 0.637 8.265 ( 0.018 0.000 -0.041) 0.045 8.508 ( 0.142 0.000 0.121) 0.186 8.513 ( -0.518 0.000 -0.263) 0.581 8.539 ( 0.470 0.000 -0.044) 0.472 8.548 ( -0.120 0.000 -0.778) 0.788 8.617 ( -0.176 0.000 0.807) 0.826 8.653 ( 1.747 0.000 2.664) 3.186 8.691 ( -1.593 0.000 -1.470) 2.168 8.741 ( 0.682 0.000 0.316) 0.752 8.968 ( -0.759 0.000 -0.550) 0.937 9.002 ( -0.247 0.000 -0.712) 0.753 9.020 ( 1.339 0.000 1.863) 2.294 9.101 ( -0.327 0.000 -0.477) 0.578 9.240 ( -0.077 0.000 0.271) 0.282 9.253 ( 0.135 0.000 -0.029) 0.138 9.416 ( -0.344 0.000 0.855) 0.921 9.488 ( 4.967 0.000 -0.972) 5.061 10.257 ( 1.413 0.000 0.116) 1.417 10.284 ( 1.777 0.000 0.231) 1.792 10.295 ( -2.207 0.000 -0.183) 2.215 10.348 ( -0.102 0.000 -0.850) 0.856 10.509 ( 0.096 0.000 0.269) 0.285 10.561 ( -0.463 0.000 -1.715) 1.777 10.575 ( -1.311 0.000 1.154) 1.747 10.621 ( 3.235 0.000 0.718) 3.314 10.891 ( 0.753 0.000 -0.420) 0.862 10.916 ( -0.601 0.000 -0.577) 0.833 10.920 ( -1.066 0.000 0.443) 1.154 10.927 ( 1.248 0.000 -0.164) 1.259 13.277 ( -0.109 0.000 -0.455) 0.468 13.299 ( -0.320 0.000 -0.946) 0.998 13.369 ( 0.141 0.000 0.331) 0.360 13.373 ( 0.080 0.000 0.193) 0.209 14.299 ( -0.094 0.000 -0.360) 0.372 14.315 ( -1.105 0.000 -1.130) 1.581 14.362 ( 0.822 0.000 1.183) 1.440 14.400 ( 0.303 0.000 -0.059) 0.309 14.457 ( 0.912 0.000 1.988) 2.187 14.555 ( -0.375 0.000 -0.250) 0.451 14.583 ( 0.964 0.000 0.859) 1.291 14.684 ( -0.865 0.000 -1.339) 1.594 14.726 ( -0.091 0.000 0.087) 0.126 14.775 ( -0.438 0.000 -0.963) 1.057 14.857 ( 0.349 0.000 0.025) 0.350 14.865 ( -0.188 0.000 -0.066) 0.199 15.029 ( 19.869 0.000 1.950) 19.965 15.039 ( 0.584 0.000 -0.009) 0.584 15.115 ( 0.033 0.000 2.042) 2.042 15.129 ( 0.064 0.000 -2.433) 2.434 15.132 ( -0.547 0.000 -0.452) 0.709 15.187 ( 1.124 0.000 0.370) 1.183 15.256 ( -2.853 0.000 -0.273) 2.866 15.273 ( 6.292 0.000 -0.577) 6.318 18.014 ( -0.404 0.000 -0.075) 0.410 18.015 ( -0.270 0.000 -0.073) 0.280 18.035 ( 0.830 0.000 -0.320) 0.889 18.046 ( -0.139 0.000 -0.503) 0.522 19.047 ( 0.777 0.000 -2.140) 2.277 19.051 ( -1.964 0.000 -2.109) 2.882 19.187 ( -5.418 0.000 2.140) 5.826 19.206 ( -0.200 0.000 1.757) 1.768 21.641 ( -1.728 0.000 1.901) 2.569 21.717 ( 20.891 0.000 -0.700) 20.903 21.860 ( 3.174 0.000 2.105) 3.809 21.985 ( -0.930 0.000 -1.477) 1.746 22.009 ( 0.877 0.000 0.262) 0.915 22.110 ( -0.971 0.000 -1.906) 2.139 22.175 ( -0.555 0.000 1.926) 2.005 22.308 ( -0.105 0.000 -1.572) 1.576 23.953 ( -0.993 0.000 -1.030) 1.430 23.957 ( -0.862 0.000 -1.166) 1.450 24.002 ( 0.946 0.000 1.096) 1.448 24.004 ( 0.896 0.000 1.072) 1.397 27.388 ( 2.907 0.000 3.405) 4.477 27.497 ( 0.722 0.000 0.770) 1.056 27.710 ( -1.936 0.000 -2.816) 3.417 27.713 ( -2.162 0.000 -2.268) 3.134 28.158 ( -5.367 0.000 5.032) 7.358 28.220 ( 65.965 0.000 -0.075) 65.965 28.230 ( -1.865 0.000 3.358) 3.841 28.779 ( -1.379 0.000 -7.681) 7.804 31.513 ( -1.057 0.000 0.069) 1.059 31.545 ( 1.808 0.000 -0.919) 2.028 31.603 ( -0.476 0.000 0.091) 0.485 31.628 ( -0.055 0.000 -0.461) 0.464 31.721 ( -3.407 0.000 -0.737) 3.486 31.727 ( 20.841 0.000 -0.647) 20.851 31.869 ( -3.551 0.000 3.280) 4.834 32.132 ( 20.947 0.000 -3.960) 21.318 33.306 ( -0.172 0.000 0.048) 0.179 33.326 ( 0.376 0.000 -0.680) 0.777 33.415 ( -4.824 0.000 1.410) 5.026 33.436 ( 0.632 0.000 0.649) 0.905 36.445 ( 4.640 0.000 0.375) 4.655 36.484 ( -1.414 0.000 -1.474) 2.043 36.532 ( 0.732 0.000 2.213) 2.330 36.602 ( -0.589 0.000 -0.876) 1.056 36.603 ( -0.719 0.000 1.874) 2.007 36.681 ( -1.246 0.000 3.869) 4.065 36.766 ( -0.109 0.000 2.071) 2.074 36.878 ( 2.414 0.000 -1.297) 2.741 37.087 ( 3.306 0.000 -1.299) 3.552 37.202 ( -11.755 0.000 -7.365) 13.872 37.523 ( 20.660 0.000 5.525) 21.386 37.723 ( -78.657 0.000 -1.535) 78.672 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 3.472 0.000 27.034) 27.256 0.854 ( 7.999 0.000 23.949) 25.250 1.318 ( 10.304 0.000 0.353) 10.310 1.348 ( 11.784 0.000 0.024) 11.784 1.367 ( 1.773 0.000 -1.677) 2.440 1.407 ( 0.339 0.000 -6.617) 6.626 1.546 ( 5.166 0.000 0.645) 5.206 1.573 ( 7.354 0.000 7.094) 10.218 1.599 ( 3.954 0.000 -2.165) 4.508 1.742 ( 10.373 0.000 0.227) 10.375 1.846 ( 1.262 0.000 -5.644) 5.783 1.848 ( -0.077 0.000 5.145) 5.146 1.944 ( 3.018 0.000 -4.276) 5.234 1.959 ( 4.770 0.000 -0.544) 4.801 2.077 ( 0.773 0.000 -4.234) 4.304 2.145 ( -0.108 0.000 -1.611) 1.615 2.221 ( 4.737 0.000 4.192) 6.325 2.245 ( 4.001 0.000 -5.127) 6.503 2.257 ( -3.229 0.000 -3.151) 4.512 2.355 ( 5.093 0.000 -0.412) 5.109 2.420 ( 5.413 0.000 -5.227) 7.525 2.443 ( 1.668 0.000 -1.907) 2.534 2.453 ( 3.156 0.000 -6.800) 7.497 2.520 ( -0.153 0.000 1.547) 1.554 2.596 ( 0.709 0.000 1.149) 1.350 2.637 ( 5.117 0.000 -2.748) 5.808 2.719 ( 0.219 0.000 -2.900) 2.909 2.891 ( 0.114 0.000 3.454) 3.456 2.934 ( 0.855 0.000 5.794) 5.857 2.984 ( -3.755 0.000 -4.747) 6.053 3.029 ( -0.939 0.000 12.626) 12.661 3.083 ( -4.813 0.000 -4.685) 6.716 3.158 ( 4.099 0.000 6.426) 7.622 3.265 ( -3.823 0.000 -2.187) 4.404 3.271 ( -0.712 0.000 0.709) 1.005 3.369 ( 2.001 0.000 -0.373) 2.035 3.467 ( -1.981 0.000 -0.165) 1.988 3.498 ( -4.517 0.000 -2.517) 5.171 3.512 ( -1.779 0.000 0.553) 1.863 3.549 ( 0.998 0.000 -0.322) 1.049 3.643 ( -5.099 0.000 -2.466) 5.664 3.649 ( -1.523 0.000 -3.561) 3.873 3.725 ( 1.154 0.000 -1.718) 2.069 3.785 ( -8.452 0.000 0.810) 8.491 3.797 ( -3.360 0.000 -4.716) 5.791 3.859 ( 3.205 0.000 2.174) 3.873 3.861 ( -2.701 0.000 -0.323) 2.721 3.986 ( -0.189 0.000 3.966) 3.970 4.017 ( 3.497 0.000 3.789) 5.156 4.018 ( 0.242 0.000 -4.331) 4.338 4.195 ( -2.065 0.000 -1.830) 2.759 4.216 ( -0.897 0.000 -0.731) 1.157 4.223 ( -1.026 0.000 2.622) 2.816 4.284 ( 4.850 0.000 -10.528) 11.591 4.425 ( 7.135 0.000 7.988) 10.710 4.444 ( -3.750 0.000 1.848) 4.180 4.567 ( 3.842 0.000 1.909) 4.290 4.660 ( 0.769 0.000 -3.596) 3.677 4.705 ( -3.942 0.000 -1.403) 4.184 4.758 ( 4.247 0.000 3.708) 5.638 4.802 ( 0.780 0.000 -2.439) 2.560 4.807 ( -8.344 0.000 -3.543) 9.065 4.856 ( -7.117 0.000 0.314) 7.124 5.003 ( 3.164 0.000 8.882) 9.428 5.382 ( -3.626 0.000 -3.215) 4.846 5.527 ( 7.743 0.000 2.308) 8.080 5.618 ( -5.571 0.000 -6.995) 8.942 5.664 ( 9.312 0.000 2.470) 9.634 5.725 ( -0.963 0.000 0.588) 1.129 5.771 ( -0.295 0.000 -0.963) 1.007 6.006 ( -6.692 0.000 3.644) 7.620 6.048 ( -1.725 0.000 2.669) 3.178 8.133 ( 0.154 0.000 -0.523) 0.546 8.160 ( 1.124 0.000 0.501) 1.230 8.261 ( -0.270 0.000 -0.174) 0.321 8.261 ( -0.272 0.000 -0.170) 0.321 8.508 ( 0.189 0.000 0.071) 0.202 8.517 ( 0.803 0.000 0.440) 0.916 8.548 ( 0.402 0.000 -0.359) 0.539 8.558 ( 1.412 0.000 -0.895) 1.672 8.624 ( -0.072 0.000 1.737) 1.738 8.635 ( -2.397 0.000 -1.145) 2.656 8.685 ( -0.448 0.000 2.226) 2.271 8.736 ( -1.258 0.000 -0.884) 1.537 8.961 ( -0.018 0.000 0.541) 0.541 8.988 ( -0.274 0.000 -0.847) 0.890 9.054 ( 0.337 0.000 1.457) 1.495 9.069 ( -1.925 0.000 -1.093) 2.214 9.244 ( 0.375 0.000 0.319) 0.493 9.260 ( 0.597 0.000 -0.103) 0.606 9.399 ( -1.909 0.000 0.473) 1.967 9.490 ( -1.205 0.000 -1.567) 1.977 10.276 ( 1.094 0.000 -1.858) 2.156 10.288 ( 0.899 0.000 -0.018) 0.899 10.320 ( 1.354 0.000 0.335) 1.395 10.374 ( 3.583 0.000 0.044) 3.584 10.511 ( -0.151 0.000 0.962) 0.974 10.541 ( -0.077 0.000 -1.389) 1.391 10.564 ( -0.278 0.000 0.084) 0.290 10.651 ( -0.557 0.000 1.413) 1.519 10.887 ( -1.088 0.000 0.051) 1.090 10.895 ( -1.007 0.000 -0.647) 1.196 10.903 ( -0.738 0.000 0.036) 0.739 10.942 ( 0.193 0.000 0.027) 0.195 13.278 ( 0.337 0.000 -0.080) 0.347 13.284 ( -0.139 0.000 -0.918) 0.928 13.373 ( 0.110 0.000 0.194) 0.223 13.375 ( -0.035 0.000 0.080) 0.088 14.295 ( -0.240 0.000 -0.368) 0.439 14.301 ( 0.451 0.000 0.240) 0.511 14.377 ( -0.014 0.000 0.628) 0.628 14.400 ( -0.271 0.000 -0.768) 0.815 14.500 ( 1.189 0.000 2.660) 2.913 14.527 ( -1.781 0.000 -1.259) 2.181 14.617 ( 1.433 0.000 1.650) 2.185 14.627 ( -3.128 0.000 -2.617) 4.078 14.733 ( 0.455 0.000 0.592) 0.746 14.747 ( -0.898 0.000 -1.153) 1.462 14.865 ( 0.212 0.000 -0.155) 0.263 14.870 ( 0.992 0.000 0.323) 1.044 15.027 ( -6.158 0.000 -4.288) 7.504 15.063 ( -0.712 0.000 -0.857) 1.114 15.097 ( -0.538 0.000 -2.494) 2.552 15.123 ( -0.396 0.000 0.318) 0.508 15.140 ( -0.123 0.000 1.642) 1.646 15.178 ( -1.693 0.000 -0.677) 1.823 15.200 ( -0.972 0.000 1.266) 1.596 15.350 ( 0.723 0.000 -1.096) 1.313 18.019 ( 0.559 0.000 -0.013) 0.559 18.021 ( 0.953 0.000 0.739) 1.206 18.045 ( 0.016 0.000 -0.549) 0.549 18.048 ( 0.786 0.000 -0.537) 0.952 19.043 ( 2.333 0.000 -2.434) 3.372 19.062 ( 2.109 0.000 -1.039) 2.351 19.184 ( 0.044 0.000 2.354) 2.354 19.231 ( 1.121 0.000 1.656) 2.000 21.580 ( -4.545 0.000 -0.602) 4.585 21.789 ( -0.347 0.000 -1.041) 1.097 21.947 ( -0.727 0.000 -1.841) 1.979 21.977 ( 2.483 0.000 2.467) 3.500 22.055 ( 2.411 0.000 0.586) 2.482 22.058 ( -1.852 0.000 -3.152) 3.655 22.178 ( -1.004 0.000 2.330) 2.537 22.287 ( -0.507 0.000 -1.680) 1.755 23.936 ( -0.079 0.000 -0.034) 0.087 23.941 ( -0.010 0.000 -0.163) 0.164 24.019 ( 0.034 0.000 0.102) 0.108 24.019 ( 0.059 0.000 0.117) 0.131 27.495 ( -1.800 0.000 -2.351) 2.961 27.497 ( 3.363 0.000 3.247) 4.675 27.672 ( 1.026 0.000 -1.086) 1.494 27.685 ( 2.378 0.000 -0.025) 2.378 27.949 ( -11.019 0.000 -6.365) 12.725 28.266 ( -2.940 0.000 8.033) 8.554 28.598 ( -8.808 0.000 -8.814) 12.461 28.739 ( 6.932 0.000 -7.902) 10.512 31.483 ( -1.617 0.000 -0.517) 1.698 31.555 ( -1.223 0.000 -0.743) 1.431 31.588 ( -0.115 0.000 0.236) 0.262 31.606 ( -1.295 0.000 -0.540) 1.403 31.631 ( -3.381 0.000 -2.019) 3.938 31.809 ( -4.209 0.000 0.879) 4.300 31.893 ( 1.922 0.000 -2.441) 3.107 32.405 ( 8.031 0.000 -11.002) 13.621 33.316 ( -1.064 0.000 1.112) 1.539 33.324 ( 1.880 0.000 -0.604) 1.974 33.373 ( -0.368 0.000 1.819) 1.856 33.453 ( 0.223 0.000 1.238) 1.258 36.423 ( -2.701 0.000 -1.508) 3.093 36.540 ( 0.995 0.000 -2.208) 2.422 36.556 ( 4.026 0.000 -0.701) 4.087 36.570 ( -1.348 0.000 -0.850) 1.594 36.658 ( 2.429 0.000 5.006) 5.564 36.673 ( -2.493 0.000 0.862) 2.638 36.749 ( -9.114 0.000 4.999) 10.395 36.886 ( -6.402 0.000 -1.700) 6.624 36.938 ( -8.839 0.000 5.479) 10.399 37.040 ( 5.456 0.000 -1.156) 5.577 37.181 ( 6.029 0.000 0.817) 6.084 38.005 ( 19.244 0.000 9.963) 21.671 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 7.176 0.000 19.407) 20.691 1.149 ( 2.645 0.000 8.084) 8.506 1.231 ( 4.755 0.000 -16.181) 16.865 1.270 ( 4.524 0.000 2.110) 4.991 1.565 ( 6.483 0.000 0.657) 6.516 1.615 ( 11.633 0.000 4.261) 12.388 1.655 ( -4.654 0.000 3.925) 6.088 1.738 ( 5.516 0.000 -0.534) 5.542 1.746 ( 1.380 0.000 -0.198) 1.394 1.834 ( -5.566 0.000 -1.084) 5.671 1.841 ( -1.119 0.000 3.815) 3.976 1.922 ( 11.316 0.000 -2.181) 11.524 2.017 ( 5.765 0.000 0.765) 5.816 2.062 ( 6.797 0.000 -3.094) 7.468 2.133 ( 10.228 0.000 -1.643) 10.360 2.178 ( 11.182 0.000 -2.620) 11.484 2.254 ( -2.023 0.000 1.706) 2.646 2.307 ( 8.227 0.000 0.517) 8.243 2.345 ( 2.516 0.000 2.397) 3.475 2.430 ( 4.742 0.000 -7.299) 8.704 2.433 ( 0.069 0.000 -2.573) 2.574 2.524 ( 3.083 0.000 0.178) 3.088 2.539 ( -1.070 0.000 3.266) 3.437 2.620 ( 11.255 0.000 6.229) 12.864 2.657 ( 8.144 0.000 -3.875) 9.019 2.700 ( 4.610 0.000 -6.511) 7.978 2.725 ( 11.239 0.000 -4.158) 11.983 2.841 ( -6.172 0.000 -3.351) 7.023 2.908 ( -2.912 0.000 0.265) 2.924 2.914 ( -1.000 0.000 6.220) 6.300 3.084 ( 0.829 0.000 5.552) 5.614 3.143 ( 1.469 0.000 1.928) 2.424 3.150 ( -4.659 0.000 -1.473) 4.886 3.288 ( -0.347 0.000 5.086) 5.098 3.309 ( 3.575 0.000 6.693) 7.588 3.339 ( -8.173 0.000 -4.280) 9.225 3.365 ( -7.477 0.000 -2.305) 7.824 3.368 ( -1.869 0.000 -0.023) 1.870 3.465 ( -5.737 0.000 -0.721) 5.782 3.478 ( -5.316 0.000 -4.519) 6.977 3.543 ( -0.045 0.000 -0.885) 0.886 3.568 ( -5.417 0.000 -2.576) 5.998 3.583 ( -4.889 0.000 -2.717) 5.593 3.722 ( -0.782 0.000 -1.781) 1.945 3.727 ( 2.347 0.000 -2.667) 3.553 3.839 ( -0.063 0.000 3.021) 3.021 3.883 ( -4.198 0.000 -0.718) 4.259 3.983 ( 3.738 0.000 -0.772) 3.817 4.076 ( -3.617 0.000 -0.216) 3.624 4.095 ( 0.820 0.000 4.489) 4.563 4.151 ( 0.425 0.000 -1.655) 1.708 4.168 ( -0.214 0.000 0.625) 0.660 4.256 ( 2.567 0.000 0.957) 2.739 4.258 ( -0.035 0.000 -8.631) 8.631 4.389 ( -2.647 0.000 4.087) 4.869 4.527 ( -5.543 0.000 -4.456) 7.112 4.596 ( 0.580 0.000 1.673) 1.771 4.657 ( -4.401 0.000 -1.255) 4.577 4.662 ( 3.962 0.000 2.484) 4.676 4.730 ( 0.767 0.000 2.872) 2.973 4.762 ( 0.003 0.000 -0.094) 0.094 4.764 ( -2.126 0.000 -1.518) 2.613 4.891 ( 2.973 0.000 3.561) 4.639 5.108 ( -0.170 0.000 6.832) 6.835 5.299 ( -1.687 0.000 -2.018) 2.630 5.480 ( -1.107 0.000 -6.840) 6.929 5.648 ( 4.379 0.000 -0.006) 4.379 5.710 ( -0.448 0.000 -0.739) 0.864 5.721 ( -4.186 0.000 -0.364) 4.202 5.803 ( 1.607 0.000 3.791) 4.117 5.955 ( -1.548 0.000 2.231) 2.715 6.028 ( -1.983 0.000 2.252) 3.001 8.143 ( 1.222 0.000 -0.302) 1.259 8.190 ( 0.977 0.000 1.053) 1.437 8.243 ( -1.158 0.000 -0.288) 1.193 8.253 ( -0.057 0.000 -0.617) 0.619 8.522 ( 0.984 0.000 -0.065) 0.986 8.539 ( 0.849 0.000 0.057) 0.851 8.547 ( 0.048 0.000 -0.019) 0.052 8.578 ( 1.284 0.000 -0.564) 1.402 8.589 ( -1.649 0.000 -0.355) 1.686 8.639 ( -0.015 0.000 1.286) 1.286 8.680 ( -2.611 0.000 -2.120) 3.363 8.683 ( -1.105 0.000 1.230) 1.653 8.971 ( 0.305 0.000 0.884) 0.935 8.984 ( 0.331 0.000 -0.125) 0.354 9.022 ( -1.651 0.000 -1.068) 1.966 9.053 ( -1.099 0.000 0.317) 1.144 9.262 ( 1.023 0.000 0.417) 1.105 9.270 ( 0.632 0.000 -0.379) 0.738 9.363 ( -1.778 0.000 0.215) 1.791 9.445 ( -1.853 0.000 -1.478) 2.371 10.297 ( 2.481 0.000 -1.579) 2.941 10.306 ( 1.496 0.000 -0.324) 1.530 10.346 ( 0.853 0.000 0.745) 1.133 10.429 ( 1.121 0.000 -0.394) 1.188 10.531 ( 0.310 0.000 -1.483) 1.515 10.545 ( 1.450 0.000 2.264) 2.688 10.570 ( 1.529 0.000 -0.219) 1.545 10.640 ( -1.619 0.000 1.343) 2.103 10.863 ( -1.297 0.000 0.182) 1.310 10.873 ( -0.449 0.000 -0.498) 0.671 10.890 ( -0.780 0.000 0.393) 0.874 10.933 ( -1.156 0.000 -0.008) 1.156 13.282 ( 0.418 0.000 -0.164) 0.449 13.283 ( 0.092 0.000 0.166) 0.189 13.371 ( -0.296 0.000 -0.177) 0.344 13.380 ( 0.409 0.000 0.132) 0.430 14.297 ( 0.282 0.000 0.132) 0.312 14.322 ( 1.045 0.000 1.004) 1.449 14.374 ( -1.134 0.000 -1.570) 1.937 14.378 ( -0.238 0.000 0.415) 0.478 14.479 ( -1.510 0.000 -1.323) 2.008 14.534 ( -1.133 0.000 0.172) 1.146 14.552 ( -0.663 0.000 -0.159) 0.682 14.660 ( 1.270 0.000 1.341) 1.847 14.718 ( -1.091 0.000 -0.961) 1.454 14.722 ( -1.486 0.000 -3.184) 3.513 14.845 ( -2.723 0.000 -2.014) 3.387 14.878 ( -0.798 0.000 -0.000) 0.798 14.897 ( 1.349 0.000 0.232) 1.369 15.063 ( -0.591 0.000 -1.847) 1.939 15.071 ( 0.584 0.000 0.205) 0.619 15.109 ( -1.360 0.000 0.640) 1.503 15.144 ( -0.984 0.000 -0.296) 1.028 15.145 ( -0.699 0.000 1.160) 1.355 15.206 ( -0.494 0.000 1.233) 1.328 15.338 ( -0.624 0.000 -0.763) 0.985 18.025 ( 0.029 0.000 -0.805) 0.805 18.040 ( -0.040 0.000 0.458) 0.460 18.042 ( 0.415 0.000 -0.374) 0.559 18.064 ( 0.986 0.000 0.626) 1.168 19.076 ( 2.851 0.000 -1.809) 3.377 19.099 ( 1.873 0.000 0.072) 1.874 19.201 ( -0.414 0.000 1.899) 1.944 19.269 ( 1.074 0.000 1.311) 1.694 21.489 ( -2.805 0.000 -2.252) 3.597 21.769 ( -0.568 0.000 -1.658) 1.752 21.923 ( -0.169 0.000 -1.634) 1.643 21.993 ( -1.486 0.000 -3.732) 4.017 22.027 ( 0.091 0.000 4.003) 4.005 22.097 ( 1.425 0.000 0.257) 1.448 22.180 ( -1.030 0.000 2.520) 2.722 22.260 ( -0.552 0.000 -1.551) 1.646 23.950 ( 0.957 0.000 1.041) 1.414 23.954 ( 0.882 0.000 0.894) 1.256 24.007 ( -0.831 0.000 -0.942) 1.256 24.007 ( -0.915 0.000 -0.914) 1.293 27.420 ( -1.761 0.000 -3.135) 3.595 27.533 ( 0.894 0.000 -1.394) 1.656 27.717 ( -2.588 0.000 -4.560) 5.243 27.751 ( 1.441 0.000 1.499) 2.079 27.797 ( 6.878 0.000 2.877) 7.455 28.240 ( -6.195 0.000 6.269) 8.813 28.319 ( -11.164 0.000 -8.616) 14.102 28.706 ( -2.446 0.000 -3.604) 4.356 31.451 ( -1.141 0.000 -0.379) 1.203 31.499 ( -2.460 0.000 -0.495) 2.509 31.576 ( -1.203 0.000 -0.260) 1.231 31.579 ( -0.659 0.000 -1.371) 1.521 31.611 ( 0.958 0.000 1.945) 2.168 31.731 ( -3.888 0.000 -0.715) 3.953 31.865 ( -2.220 0.000 -1.047) 2.455 32.368 ( -1.520 0.000 -6.255) 6.437 33.319 ( 0.522 0.000 0.137) 0.539 33.355 ( 2.171 0.000 -1.601) 2.697 33.393 ( 0.667 0.000 1.232) 1.401 33.465 ( -0.225 0.000 1.453) 1.471 36.374 ( -1.159 0.000 -0.564) 1.289 36.518 ( -1.277 0.000 -1.903) 2.292 36.534 ( -1.917 0.000 -1.790) 2.623 36.590 ( -1.132 0.000 -0.117) 1.138 36.596 ( -3.387 0.000 -1.118) 3.567 36.627 ( -2.483 0.000 1.964) 3.166 36.758 ( 2.340 0.000 4.432) 5.012 36.794 ( -3.286 0.000 3.419) 4.742 36.991 ( 6.264 0.000 -1.203) 6.379 37.177 ( 7.144 0.000 -1.316) 7.264 37.310 ( 5.148 0.000 3.508) 6.230 38.363 ( 8.696 0.000 7.013) 11.171 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 1.799 0.000 2.756) 3.291 1.258 ( 10.342 0.000 -10.193) 14.521 1.366 ( -3.892 0.000 4.438) 5.902 1.368 ( 1.299 0.000 5.247) 5.405 1.540 ( -8.234 0.000 13.144) 15.510 1.649 ( -1.724 0.000 0.985) 1.986 1.700 ( 6.244 0.000 2.112) 6.592 1.755 ( -0.063 0.000 3.207) 3.208 1.756 ( -0.027 0.000 2.933) 2.934 1.848 ( 0.574 0.000 3.215) 3.266 1.897 ( 5.246 0.000 4.416) 6.857 2.056 ( -1.619 0.000 -0.349) 1.657 2.110 ( 3.634 0.000 -4.879) 6.084 2.235 ( 9.028 0.000 -2.530) 9.376 2.259 ( -3.365 0.000 -0.489) 3.401 2.298 ( 7.544 0.000 2.362) 7.905 2.356 ( 7.757 0.000 -3.536) 8.525 2.390 ( 2.876 0.000 0.549) 2.928 2.424 ( 3.424 0.000 -0.244) 3.433 2.470 ( 6.311 0.000 -0.034) 6.311 2.505 ( -1.198 0.000 -3.262) 3.475 2.532 ( 2.531 0.000 0.473) 2.575 2.578 ( 2.090 0.000 3.519) 4.093 2.643 ( -3.766 0.000 -0.657) 3.823 2.733 ( 9.496 0.000 -2.574) 9.839 2.767 ( 4.240 0.000 -3.977) 5.813 2.803 ( -4.469 0.000 1.635) 4.759 2.861 ( 6.311 0.000 -5.546) 8.401 2.882 ( -1.406 0.000 0.800) 1.617 3.005 ( -4.933 0.000 -0.615) 4.971 3.025 ( -0.381 0.000 7.325) 7.335 3.087 ( -4.175 0.000 -1.940) 4.604 3.128 ( -4.849 0.000 1.264) 5.011 3.186 ( -3.065 0.000 -0.496) 3.105 3.220 ( -4.142 0.000 -3.165) 5.213 3.253 ( -1.903 0.000 -0.849) 2.083 3.335 ( -2.433 0.000 -3.479) 4.245 3.361 ( 1.225 0.000 0.781) 1.452 3.420 ( -2.973 0.000 1.280) 3.237 3.422 ( 0.953 0.000 5.181) 5.268 3.543 ( 2.562 0.000 -1.064) 2.774 3.552 ( 3.132 0.000 7.548) 8.172 3.564 ( 1.032 0.000 -2.197) 2.428 3.718 ( 2.568 0.000 -1.099) 2.793 3.775 ( 3.345 0.000 -3.227) 4.648 3.780 ( -4.219 0.000 -1.813) 4.592 3.888 ( 3.512 0.000 -0.039) 3.512 3.923 ( -4.799 0.000 -0.882) 4.879 4.000 ( -0.511 0.000 -3.437) 3.474 4.059 ( -1.512 0.000 0.668) 1.653 4.097 ( -7.967 0.000 -2.818) 8.451 4.196 ( 3.165 0.000 1.310) 3.425 4.283 ( 4.983 0.000 1.756) 5.284 4.314 ( 0.929 0.000 -0.042) 0.930 4.406 ( 0.507 0.000 -5.160) 5.185 4.445 ( -0.600 0.000 5.029) 5.065 4.493 ( -6.058 0.000 -3.740) 7.119 4.620 ( 0.245 0.000 1.921) 1.936 4.703 ( -0.924 0.000 -1.108) 1.443 4.707 ( -1.076 0.000 -1.514) 1.858 4.767 ( -1.179 0.000 1.331) 1.778 4.786 ( -0.244 0.000 3.671) 3.679 4.931 ( -0.112 0.000 1.859) 1.862 5.068 ( -3.618 0.000 -7.736) 8.541 5.305 ( 0.863 0.000 1.617) 1.833 5.497 ( 4.123 0.000 5.166) 6.610 5.648 ( -2.439 0.000 0.985) 2.631 5.681 ( 0.431 0.000 -3.355) 3.382 5.718 ( 1.767 0.000 -0.498) 1.836 5.795 ( -3.549 0.000 0.798) 3.638 5.968 ( -0.044 0.000 2.406) 2.406 6.020 ( -0.890 0.000 1.799) 2.007 8.170 ( 1.536 0.000 -0.022) 1.536 8.203 ( -0.483 0.000 0.387) 0.618 8.221 ( -0.933 0.000 0.347) 0.995 8.253 ( 0.531 0.000 -0.364) 0.643 8.526 ( 0.457 0.000 -1.209) 1.293 8.546 ( 0.207 0.000 -0.415) 0.463 8.564 ( -0.579 0.000 -0.613) 0.843 8.569 ( 0.507 0.000 1.716) 1.789 8.587 ( 0.093 0.000 -0.907) 0.912 8.629 ( -0.257 0.000 -0.673) 0.720 8.642 ( -0.357 0.000 0.075) 0.365 8.671 ( -0.813 0.000 0.459) 0.934 8.983 ( -0.089 0.000 0.599) 0.605 8.990 ( -0.147 0.000 -0.360) 0.389 8.998 ( 0.171 0.000 0.166) 0.239 9.030 ( -0.741 0.000 -0.307) 0.802 9.278 ( 0.566 0.000 -0.475) 0.739 9.282 ( 0.394 0.000 0.058) 0.398 9.341 ( -0.832 0.000 0.436) 0.939 9.405 ( -0.546 0.000 -1.347) 1.453 10.330 ( 1.671 0.000 -0.642) 1.790 10.335 ( 1.169 0.000 0.040) 1.170 10.365 ( 0.274 0.000 0.799) 0.845 10.430 ( 0.025 0.000 -0.522) 0.522 10.524 ( 0.574 0.000 -1.868) 1.954 10.552 ( -0.417 0.000 -0.981) 1.066 10.613 ( 0.717 0.000 0.775) 1.056 10.620 ( -1.502 0.000 1.142) 1.886 10.847 ( -0.464 0.000 0.456) 0.651 10.874 ( 0.923 0.000 -0.353) 0.988 10.879 ( -0.744 0.000 0.347) 0.821 10.904 ( -1.574 0.000 -0.131) 1.580 13.286 ( -0.012 0.000 0.380) 0.380 13.292 ( 0.329 0.000 0.398) 0.517 13.365 ( -0.044 0.000 -0.112) 0.121 13.386 ( 0.129 0.000 -0.102) 0.164 14.300 ( -0.040 0.000 -0.231) 0.234 14.333 ( -0.859 0.000 -1.454) 1.688 14.357 ( 1.001 0.000 0.993) 1.410 14.378 ( -0.268 0.000 0.495) 0.563 14.455 ( -0.013 0.000 -0.609) 0.609 14.512 ( 0.174 0.000 1.018) 1.032 14.553 ( -0.612 0.000 -0.891) 1.081 14.683 ( 0.137 0.000 0.826) 0.837 14.703 ( 2.603 0.000 1.296) 2.907 14.705 ( 0.274 0.000 0.835) 0.879 14.814 ( -1.101 0.000 -0.373) 1.163 14.877 ( -0.009 0.000 0.218) 0.218 14.913 ( 0.342 0.000 -0.674) 0.756 15.058 ( 0.882 0.000 0.643) 1.091 15.085 ( 0.598 0.000 0.173) 0.622 15.087 ( -1.247 0.000 0.034) 1.247 15.131 ( -0.331 0.000 -0.182) 0.377 15.134 ( -1.347 0.000 0.977) 1.664 15.199 ( -0.705 0.000 0.033) 0.705 15.315 ( -0.379 0.000 -2.355) 2.385 18.012 ( -0.115 0.000 -1.055) 1.062 18.039 ( 0.049 0.000 -1.063) 1.064 18.047 ( -0.055 0.000 0.664) 0.666 18.079 ( 0.058 0.000 0.196) 0.204 19.116 ( 2.477 0.000 -0.908) 2.639 19.126 ( 0.667 0.000 0.317) 0.738 19.200 ( -1.292 0.000 1.812) 2.226 19.283 ( -0.406 0.000 0.053) 0.410 21.450 ( 0.375 0.000 -1.020) 1.087 21.732 ( -0.458 0.000 -4.557) 4.580 21.912 ( 0.423 0.000 -1.307) 1.374 21.937 ( -1.108 0.000 -3.107) 3.298 22.060 ( -0.149 0.000 3.659) 3.662 22.116 ( 0.567 0.000 -0.065) 0.570 22.179 ( -1.369 0.000 2.073) 2.484 22.245 ( 0.314 0.000 -0.909) 0.962 23.970 ( -0.760 0.000 -0.886) 1.167 23.973 ( -1.241 0.000 -1.174) 1.709 23.985 ( 1.213 0.000 1.268) 1.755 23.991 ( 0.805 0.000 0.849) 1.170 27.403 ( 1.361 0.000 0.650) 1.508 27.554 ( 2.203 0.000 0.134) 2.207 27.687 ( 1.857 0.000 1.736) 2.542 27.795 ( -0.205 0.000 0.912) 0.935 27.980 ( 7.626 0.000 2.654) 8.074 28.047 ( -7.617 0.000 -6.637) 10.103 28.164 ( -5.317 0.000 3.256) 6.235 28.610 ( -2.636 0.000 -6.647) 7.151 31.439 ( 0.023 0.000 0.304) 0.305 31.469 ( -0.961 0.000 1.028) 1.407 31.561 ( -0.281 0.000 0.279) 0.396 31.580 ( 1.219 0.000 0.373) 1.275 31.652 ( -2.849 0.000 0.180) 2.855 31.659 ( 1.541 0.000 1.391) 2.076 31.813 ( -1.660 0.000 -1.542) 2.265 32.266 ( -1.883 0.000 -8.872) 9.070 33.330 ( 0.613 0.000 -0.420) 0.743 33.376 ( 1.795 0.000 -2.142) 2.795 33.415 ( 0.124 0.000 1.891) 1.895 33.467 ( -0.973 0.000 1.384) 1.692 36.368 ( 0.377 0.000 0.280) 0.470 36.470 ( -1.804 0.000 -0.994) 2.059 36.472 ( -1.228 0.000 -1.154) 1.685 36.554 ( -0.235 0.000 -3.488) 3.496 36.569 ( 0.125 0.000 -0.174) 0.214 36.622 ( 0.470 0.000 -1.330) 1.411 36.782 ( -2.268 0.000 4.580) 5.110 36.831 ( 0.184 0.000 5.985) 5.988 37.092 ( 4.495 0.000 -0.679) 4.546 37.257 ( 2.743 0.000 -2.897) 3.989 37.444 ( 2.558 0.000 10.431) 10.740 38.449 ( -1.557 0.000 -2.299) 2.777 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -13.717 0.000 -3.684) 14.203 1.253 ( -10.814 0.000 7.255) 13.022 1.320 ( -2.654 0.000 2.271) 3.493 1.432 ( 8.422 0.000 -3.576) 9.150 1.570 ( -2.926 0.000 8.273) 8.775 1.726 ( 3.343 0.000 3.955) 5.178 1.790 ( -0.853 0.000 7.035) 7.086 1.794 ( -3.913 0.000 2.508) 4.648 1.801 ( -1.991 0.000 3.126) 3.706 1.897 ( 1.058 0.000 6.008) 6.101 1.923 ( -7.653 0.000 2.899) 8.184 2.063 ( 4.288 0.000 0.108) 4.289 2.107 ( -3.876 0.000 -1.512) 4.160 2.194 ( 5.074 0.000 0.050) 5.074 2.250 ( -7.788 0.000 -7.957) 11.134 2.325 ( -9.318 0.000 1.520) 9.441 2.359 ( -5.250 0.000 -0.034) 5.250 2.361 ( 4.373 0.000 -2.926) 5.262 2.404 ( -2.010 0.000 2.978) 3.593 2.423 ( -1.149 0.000 2.843) 3.067 2.536 ( -1.119 0.000 -0.503) 1.227 2.573 ( -0.250 0.000 -6.030) 6.035 2.639 ( -3.110 0.000 1.391) 3.407 2.649 ( -9.572 0.000 -2.459) 9.883 2.686 ( -0.065 0.000 0.068) 0.094 2.717 ( -2.744 0.000 2.431) 3.666 2.809 ( -4.063 0.000 -2.459) 4.749 2.842 ( -1.516 0.000 -1.552) 2.170 2.922 ( 8.017 0.000 -2.028) 8.270 2.936 ( -0.333 0.000 -6.933) 6.941 3.039 ( -1.660 0.000 3.464) 3.841 3.096 ( 4.095 0.000 1.175) 4.260 3.104 ( -0.944 0.000 -2.032) 2.240 3.181 ( -3.477 0.000 -3.340) 4.821 3.214 ( 10.083 0.000 4.351) 10.982 3.256 ( 2.880 0.000 7.123) 7.683 3.323 ( 1.964 0.000 -1.010) 2.209 3.334 ( -0.700 0.000 -3.072) 3.150 3.429 ( 2.234 0.000 1.996) 2.996 3.474 ( 0.995 0.000 -1.054) 1.450 3.526 ( 0.350 0.000 -0.368) 0.508 3.548 ( 0.594 0.000 0.660) 0.888 3.594 ( -1.405 0.000 4.894) 5.092 3.733 ( 1.090 0.000 -0.577) 1.234 3.798 ( 5.115 0.000 -0.365) 5.128 3.821 ( 1.368 0.000 -1.450) 1.994 3.882 ( -0.431 0.000 -1.887) 1.936 3.969 ( -0.798 0.000 0.213) 0.826 3.985 ( 2.441 0.000 -2.229) 3.306 4.051 ( -0.758 0.000 -0.014) 0.758 4.051 ( 6.160 0.000 3.272) 6.975 4.174 ( -7.650 0.000 -5.011) 9.145 4.290 ( 5.659 0.000 -4.389) 7.161 4.304 ( -4.063 0.000 -2.111) 4.579 4.448 ( 4.454 0.000 5.113) 6.782 4.462 ( 1.871 0.000 -2.163) 2.860 4.496 ( 2.555 0.000 4.215) 4.929 4.589 ( -4.188 0.000 -7.116) 8.257 4.657 ( 0.432 0.000 2.962) 2.994 4.734 ( 4.774 0.000 1.146) 4.909 4.739 ( -1.146 0.000 -2.561) 2.806 4.791 ( -2.957 0.000 4.467) 5.357 4.892 ( -4.052 0.000 -4.722) 6.223 4.966 ( -0.382 0.000 -1.532) 1.579 5.351 ( 1.922 0.000 4.664) 5.044 5.633 ( -1.330 0.000 -6.195) 6.336 5.644 ( -0.109 0.000 2.646) 2.648 5.664 ( 6.217 0.000 5.522) 8.315 5.710 ( -3.136 0.000 -0.893) 3.261 5.735 ( 0.212 0.000 -1.841) 1.853 5.989 ( -0.309 0.000 3.732) 3.745 6.019 ( -0.650 0.000 1.195) 1.360 8.185 ( -1.106 0.000 -0.442) 1.191 8.185 ( -0.507 0.000 0.730) 0.889 8.228 ( 1.220 0.000 0.592) 1.356 8.257 ( 0.070 0.000 -0.355) 0.362 8.523 ( -0.234 0.000 -0.363) 0.431 8.538 ( -0.683 0.000 -0.879) 1.113 8.554 ( 0.223 0.000 -0.284) 0.361 8.571 ( -0.397 0.000 -1.526) 1.576 8.587 ( 0.658 0.000 1.476) 1.616 8.628 ( -0.494 0.000 -0.527) 0.722 8.659 ( -0.687 0.000 -0.391) 0.791 8.665 ( 2.601 0.000 0.731) 2.702 8.972 ( -0.945 0.000 0.042) 0.946 8.993 ( 0.570 0.000 0.418) 0.707 9.010 ( 0.779 0.000 0.122) 0.789 9.029 ( 0.428 0.000 -0.439) 0.613 9.271 ( -1.047 0.000 -0.372) 1.111 9.282 ( 0.039 0.000 -0.180) 0.184 9.339 ( 0.398 0.000 0.377) 0.548 9.407 ( 1.681 0.000 -1.425) 2.204 10.338 ( -0.893 0.000 0.168) 0.908 10.346 ( 0.248 0.000 0.268) 0.366 10.367 ( -0.724 0.000 0.444) 0.849 10.429 ( 0.259 0.000 -0.998) 1.031 10.518 ( -1.452 0.000 -1.696) 2.233 10.520 ( 0.722 0.000 -1.857) 1.992 10.606 ( -0.909 0.000 1.128) 1.449 10.609 ( -1.047 0.000 0.493) 1.157 10.849 ( -0.111 0.000 0.418) 0.432 10.876 ( 0.601 0.000 0.332) 0.686 10.878 ( -0.677 0.000 -0.224) 0.713 10.899 ( 1.781 0.000 -0.221) 1.795 13.290 ( 0.008 0.000 0.534) 0.534 13.299 ( 0.009 0.000 0.521) 0.521 13.368 ( 0.246 0.000 0.099) 0.265 13.381 ( -0.401 0.000 -0.401) 0.567 14.294 ( -0.088 0.000 -0.263) 0.278 14.307 ( -0.511 0.000 -1.044) 1.162 14.376 ( -0.314 0.000 0.246) 0.399 14.388 ( 1.078 0.000 0.795) 1.340 14.470 ( 1.553 0.000 0.425) 1.610 14.503 ( -1.428 0.000 -2.236) 2.653 14.574 ( 2.456 0.000 3.591) 4.350 14.662 ( -1.905 0.000 -1.236) 2.271 14.734 ( 1.169 0.000 1.605) 1.986 14.773 ( -1.810 0.000 -0.766) 1.965 14.849 ( 5.920 0.000 5.208) 7.884 14.883 ( 1.091 0.000 2.046) 2.319 14.902 ( -0.608 0.000 -0.904) 1.089 15.057 ( -0.869 0.000 -2.566) 2.709 15.095 ( 0.234 0.000 0.427) 0.487 15.103 ( 2.022 0.000 2.257) 3.030 15.117 ( -0.956 0.000 0.288) 0.998 15.126 ( 0.100 0.000 -0.311) 0.327 15.181 ( -0.807 0.000 -0.642) 1.031 15.279 ( -0.269 0.000 -4.175) 4.184 18.007 ( 0.439 0.000 -0.734) 0.855 18.024 ( -0.361 0.000 -1.425) 1.470 18.047 ( -0.382 0.000 0.466) 0.602 18.076 ( -0.237 0.000 -0.139) 0.275 19.129 ( -0.649 0.000 0.209) 0.682 19.142 ( 0.267 0.000 -0.726) 0.774 19.197 ( -0.436 0.000 2.796) 2.830 19.260 ( -1.290 0.000 -0.963) 1.610 21.478 ( 2.251 0.000 1.023) 2.472 21.670 ( -0.158 0.000 -7.996) 7.998 21.893 ( -1.037 0.000 -2.281) 2.505 21.917 ( 1.143 0.000 -0.901) 1.455 22.088 ( 0.197 0.000 2.604) 2.612 22.124 ( 0.513 0.000 -0.170) 0.540 22.161 ( -2.197 0.000 1.651) 2.748 22.257 ( 1.371 0.000 -0.304) 1.404 23.944 ( -0.720 0.000 -0.582) 0.925 23.947 ( -0.483 0.000 -0.578) 0.753 24.013 ( 0.611 0.000 0.640) 0.885 24.015 ( 0.500 0.000 0.567) 0.756 27.472 ( 2.969 0.000 3.798) 4.821 27.575 ( -1.897 0.000 -1.221) 2.256 27.732 ( 1.087 0.000 0.700) 1.293 27.823 ( -6.657 0.000 -4.817) 8.217 27.847 ( 2.953 0.000 8.987) 9.460 28.116 ( -1.193 0.000 1.075) 1.606 28.221 ( 11.203 0.000 0.449) 11.212 28.490 ( -0.231 0.000 -12.313) 12.315 31.457 ( 1.051 0.000 1.130) 1.543 31.475 ( 0.772 0.000 0.216) 0.802 31.573 ( 0.933 0.000 0.938) 1.323 31.589 ( -1.418 0.000 -0.224) 1.435 31.640 ( 1.812 0.000 3.236) 3.709 31.725 ( 2.234 0.000 3.473) 4.129 31.782 ( 0.781 0.000 -3.189) 3.284 32.138 ( -0.939 0.000 -13.768) 13.800 33.334 ( 0.384 0.000 -0.751) 0.844 33.388 ( 1.468 0.000 -2.172) 2.621 33.430 ( -0.717 0.000 2.606) 2.703 33.449 ( -2.140 0.000 1.110) 2.411 36.378 ( 0.350 0.000 0.787) 0.861 36.438 ( -0.151 0.000 -1.991) 1.997 36.506 ( 4.824 0.000 0.352) 4.837 36.520 ( 0.410 0.000 -4.215) 4.235 36.579 ( 0.787 0.000 0.183) 0.808 36.615 ( 0.174 0.000 -1.563) 1.573 36.780 ( -2.169 0.000 4.691) 5.168 36.864 ( -3.076 0.000 7.151) 7.784 37.138 ( 1.787 0.000 -2.778) 3.303 37.228 ( -2.260 0.000 -4.260) 4.822 37.613 ( 0.608 0.000 21.561) 21.570 38.290 ( -8.169 0.000 -10.524) 13.323 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -19.185 0.000 -3.820) 19.562 1.003 ( -23.585 0.000 11.008) 26.027 1.376 ( 4.340 0.000 3.537) 5.599 1.530 ( -4.187 0.000 -0.074) 4.187 1.572 ( -6.651 0.000 0.408) 6.663 1.652 ( -10.034 0.000 -2.221) 10.277 1.655 ( -8.130 0.000 2.600) 8.536 1.731 ( -2.789 0.000 -1.111) 3.002 1.762 ( -7.803 0.000 4.905) 9.217 1.781 ( -8.444 0.000 3.934) 9.316 1.843 ( -7.939 0.000 3.763) 8.786 1.982 ( -8.101 0.000 -5.174) 9.612 2.056 ( -3.622 0.000 4.066) 5.445 2.161 ( 3.465 0.000 -2.830) 4.474 2.187 ( -5.884 0.000 4.699) 7.530 2.194 ( -8.436 0.000 -3.509) 9.136 2.283 ( -3.449 0.000 -0.174) 3.453 2.309 ( -6.780 0.000 -3.675) 7.712 2.362 ( -2.074 0.000 0.418) 2.116 2.456 ( -0.476 0.000 4.359) 4.385 2.473 ( 1.303 0.000 -1.405) 1.917 2.497 ( -1.057 0.000 -3.392) 3.553 2.540 ( -1.930 0.000 8.029) 8.258 2.584 ( -1.741 0.000 -3.326) 3.754 2.632 ( -5.446 0.000 -2.161) 5.859 2.669 ( 1.992 0.000 -6.610) 6.903 2.745 ( -0.233 0.000 -0.999) 1.026 2.796 ( -0.496 0.000 4.380) 4.408 2.859 ( -3.158 0.000 -4.964) 5.883 2.999 ( -5.699 0.000 -1.599) 5.919 3.057 ( 2.068 0.000 -2.880) 3.545 3.114 ( 2.854 0.000 4.924) 5.691 3.144 ( 1.411 0.000 6.894) 7.037 3.216 ( 6.612 0.000 0.276) 6.618 3.224 ( 0.306 0.000 -0.392) 0.497 3.369 ( 3.162 0.000 -0.277) 3.174 3.393 ( 0.606 0.000 -0.313) 0.682 3.450 ( 2.805 0.000 1.555) 3.207 3.483 ( 4.947 0.000 -0.445) 4.967 3.510 ( 0.808 0.000 1.322) 1.550 3.572 ( 6.199 0.000 -2.287) 6.608 3.579 ( 4.261 0.000 -1.663) 4.574 3.655 ( 4.713 0.000 1.479) 4.940 3.778 ( 1.262 0.000 -2.814) 3.084 3.827 ( 2.103 0.000 1.050) 2.350 3.833 ( 1.227 0.000 -3.190) 3.418 3.953 ( 4.751 0.000 0.744) 4.809 3.961 ( -1.291 0.000 2.542) 2.851 3.988 ( -1.053 0.000 3.559) 3.712 4.039 ( -9.606 0.000 -12.162) 15.498 4.095 ( 3.721 0.000 2.699) 4.597 4.114 ( 0.970 0.000 4.157) 4.269 4.171 ( 3.760 0.000 -1.184) 3.942 4.350 ( 4.787 0.000 -7.599) 8.981 4.408 ( -2.197 0.000 -2.711) 3.489 4.503 ( 0.722 0.000 2.200) 2.315 4.535 ( -1.161 0.000 -2.394) 2.661 4.669 ( 3.354 0.000 1.535) 3.689 4.687 ( -0.455 0.000 -3.451) 3.481 4.707 ( 4.607 0.000 6.618) 8.064 4.767 ( -3.791 0.000 8.429) 9.242 4.792 ( -2.820 0.000 -3.467) 4.469 4.878 ( 6.804 0.000 2.390) 7.212 4.926 ( -1.804 0.000 -2.194) 2.841 5.451 ( 2.616 0.000 5.707) 6.278 5.509 ( -5.155 0.000 -7.553) 9.145 5.667 ( -0.109 0.000 0.073) 0.131 5.669 ( 0.593 0.000 1.532) 1.643 5.726 ( 1.140 0.000 -4.758) 4.893 5.809 ( 4.064 0.000 4.145) 5.805 6.015 ( -0.652 0.000 0.323) 0.727 6.046 ( 1.441 0.000 8.687) 8.805 8.159 ( -0.925 0.000 -0.634) 1.122 8.180 ( -0.951 0.000 1.602) 1.863 8.252 ( 0.691 0.000 -0.380) 0.789 8.255 ( 0.227 0.000 -0.407) 0.466 8.510 ( -0.868 0.000 -1.025) 1.343 8.515 ( -0.349 0.000 0.305) 0.464 8.555 ( 0.236 0.000 -0.863) 0.895 8.558 ( -0.175 0.000 0.103) 0.203 8.621 ( 0.027 0.000 -0.732) 0.732 8.629 ( 2.190 0.000 1.508) 2.659 8.631 ( -1.388 0.000 -1.319) 1.915 8.714 ( 1.889 0.000 0.003) 1.889 8.962 ( -0.130 0.000 0.437) 0.456 9.004 ( 0.000 0.000 0.498) 0.498 9.024 ( -0.340 0.000 -1.126) 1.177 9.041 ( 2.353 0.000 0.145) 2.358 9.250 ( -0.752 0.000 -0.064) 0.754 9.273 ( -0.735 0.000 -0.091) 0.740 9.364 ( 1.594 0.000 0.491) 1.668 9.425 ( 1.670 0.000 -2.753) 3.220 10.309 ( -1.956 0.000 -0.555) 2.033 10.340 ( -1.189 0.000 -1.150) 1.654 10.354 ( -0.756 0.000 1.621) 1.789 10.402 ( -1.521 0.000 -1.527) 2.156 10.496 ( 0.011 0.000 -0.070) 0.071 10.519 ( 0.421 0.000 -0.967) 1.055 10.595 ( -1.090 0.000 1.087) 1.539 10.606 ( -0.255 0.000 1.163) 1.191 10.853 ( 0.692 0.000 -0.148) 0.708 10.877 ( 0.704 0.000 -0.215) 0.736 10.903 ( 1.180 0.000 0.864) 1.463 10.930 ( 1.332 0.000 -0.191) 1.345 13.292 ( -0.269 0.000 0.390) 0.473 13.304 ( 0.095 0.000 0.321) 0.335 13.369 ( -0.310 0.000 -0.396) 0.503 13.373 ( 0.043 0.000 0.131) 0.137 14.297 ( 0.078 0.000 -0.203) 0.217 14.300 ( 0.631 0.000 0.530) 0.824 14.368 ( -0.484 0.000 -0.277) 0.558 14.407 ( 0.382 0.000 0.023) 0.382 14.457 ( -1.131 0.000 -1.840) 2.160 14.514 ( 2.090 0.000 0.884) 2.269 14.602 ( -2.041 0.000 -2.280) 3.060 14.658 ( 2.239 0.000 3.183) 3.891 14.736 ( -1.083 0.000 -0.568) 1.223 14.769 ( 0.877 0.000 1.596) 1.821 14.873 ( -0.226 0.000 0.286) 0.365 14.879 ( -0.958 0.000 -0.454) 1.060 14.983 ( -1.785 0.000 -10.589) 10.739 15.048 ( 4.357 0.000 3.711) 5.723 15.089 ( -1.439 0.000 0.430) 1.501 15.126 ( 2.893 0.000 2.244) 3.661 15.131 ( 0.829 0.000 -0.677) 1.070 15.160 ( -0.852 0.000 -0.315) 0.909 15.165 ( 1.986 0.000 2.315) 3.050 15.233 ( -0.466 0.000 -4.159) 4.185 18.007 ( -0.132 0.000 -0.829) 0.840 18.014 ( 0.524 0.000 -0.212) 0.565 18.045 ( -0.219 0.000 0.636) 0.673 18.067 ( -0.566 0.000 -0.329) 0.655 19.106 ( -1.408 0.000 -0.801) 1.620 19.118 ( -1.548 0.000 -0.343) 1.586 19.227 ( -1.438 0.000 -0.104) 1.442 19.238 ( 1.119 0.000 4.331) 4.473 21.544 ( 2.817 0.000 2.201) 3.575 21.574 ( -0.845 0.000 -12.418) 12.447 21.858 ( -0.942 0.000 -0.957) 1.343 21.938 ( 1.567 0.000 -0.577) 1.670 22.113 ( -2.247 0.000 -0.158) 2.253 22.114 ( 0.548 0.000 1.360) 1.466 22.146 ( -0.143 0.000 1.643) 1.649 22.284 ( 1.538 0.000 -0.420) 1.594 23.940 ( 0.394 0.000 0.591) 0.710 23.947 ( 0.504 0.000 0.589) 0.775 24.014 ( -0.524 0.000 -0.582) 0.783 24.015 ( -0.481 0.000 -0.515) 0.705 27.464 ( -4.836 0.000 -4.470) 6.585 27.530 ( -0.655 0.000 0.951) 1.155 27.723 ( -0.750 0.000 -0.003) 0.750 27.780 ( -0.654 0.000 5.287) 5.328 27.973 ( 4.029 0.000 2.421) 4.700 28.164 ( 2.288 0.000 6.958) 7.324 28.196 ( -3.340 0.000 -24.862) 25.085 28.563 ( 13.086 0.000 -2.069) 13.249 31.492 ( 1.103 0.000 1.500) 1.862 31.494 ( 1.706 0.000 -1.453) 2.241 31.579 ( 0.382 0.000 0.467) 0.604 31.607 ( 1.219 0.000 1.422) 1.873 31.712 ( 1.513 0.000 4.032) 4.307 31.780 ( 2.893 0.000 -7.207) 7.766 31.803 ( 1.640 0.000 5.500) 5.739 31.984 ( -0.363 0.000 -16.585) 16.589 33.332 ( 0.181 0.000 -0.921) 0.939 33.387 ( -0.743 0.000 -1.608) 1.771 33.413 ( -1.247 0.000 0.585) 1.378 33.436 ( -1.083 0.000 2.940) 3.133 36.410 ( 2.203 0.000 1.087) 2.457 36.424 ( 0.875 0.000 -2.980) 3.105 36.500 ( 0.729 0.000 -2.620) 2.719 36.586 ( 1.492 0.000 -0.739) 1.665 36.606 ( 0.145 0.000 -0.928) 0.939 36.639 ( 3.794 0.000 3.500) 5.162 36.807 ( 3.319 0.000 3.033) 4.497 36.841 ( -5.854 0.000 7.353) 9.398 37.110 ( -5.200 0.000 -4.408) 6.817 37.119 ( -0.125 0.000 -4.137) 4.139 37.883 ( 2.644 0.000 34.341) 34.442 37.976 ( -12.458 0.000 -13.723) 18.534 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -13.180 0.000 12.732) 18.325 0.573 ( -27.564 0.000 3.241) 27.754 0.964 ( -37.374 0.000 19.501) 42.156 1.439 ( -1.460 0.000 0.046) 1.461 1.501 ( -1.438 0.000 -0.349) 1.480 1.521 ( -6.516 0.000 0.193) 6.519 1.617 ( -9.435 0.000 -2.780) 9.836 1.617 ( -3.043 0.000 0.005) 3.043 1.639 ( -6.708 0.000 2.441) 7.139 1.713 ( -2.587 0.000 5.371) 5.962 1.836 ( 1.535 0.000 2.572) 2.995 1.934 ( -3.414 0.000 0.983) 3.553 1.965 ( 5.010 0.000 0.064) 5.011 2.041 ( -5.768 0.000 -0.208) 5.772 2.075 ( -4.276 0.000 -7.462) 8.600 2.152 ( -9.377 0.000 0.507) 9.390 2.167 ( 0.191 0.000 2.496) 2.504 2.225 ( -7.123 0.000 -5.562) 9.037 2.306 ( 2.611 0.000 -5.828) 6.386 2.358 ( -4.208 0.000 -0.626) 4.255 2.458 ( 2.591 0.000 -5.850) 6.398 2.464 ( 0.093 0.000 0.301) 0.315 2.539 ( -1.833 0.000 -7.023) 7.258 2.584 ( -0.524 0.000 4.635) 4.664 2.636 ( 4.569 0.000 0.158) 4.571 2.650 ( -2.593 0.000 -2.652) 3.709 2.745 ( 3.303 0.000 -1.914) 3.817 2.772 ( -3.481 0.000 -0.766) 3.565 2.869 ( 0.195 0.000 5.817) 5.820 2.933 ( -1.244 0.000 4.271) 4.449 3.098 ( 5.864 0.000 1.333) 6.014 3.237 ( -1.203 0.000 8.254) 8.342 3.238 ( 3.556 0.000 1.471) 3.848 3.256 ( 1.985 0.000 1.150) 2.294 3.306 ( 0.194 0.000 -1.552) 1.564 3.355 ( -4.859 0.000 -0.976) 4.956 3.423 ( 4.445 0.000 0.604) 4.485 3.439 ( -0.140 0.000 -1.218) 1.226 3.503 ( 2.020 0.000 -3.109) 3.707 3.516 ( 2.420 0.000 0.848) 2.564 3.624 ( 1.936 0.000 -4.096) 4.531 3.645 ( -5.999 0.000 -7.218) 9.385 3.718 ( 0.720 0.000 0.227) 0.755 3.767 ( 7.928 0.000 0.839) 7.972 3.813 ( 0.871 0.000 -5.943) 6.006 3.905 ( 0.124 0.000 1.259) 1.265 3.908 ( 5.329 0.000 -0.407) 5.345 3.961 ( -3.417 0.000 -5.160) 6.189 3.978 ( 2.680 0.000 -0.861) 2.815 3.989 ( 1.285 0.000 1.835) 2.240 4.195 ( 1.508 0.000 1.393) 2.053 4.200 ( 0.909 0.000 2.804) 2.948 4.288 ( 5.071 0.000 3.945) 6.424 4.354 ( -0.788 0.000 -2.871) 2.977 4.366 ( 1.842 0.000 0.468) 1.901 4.437 ( -5.446 0.000 -2.097) 5.835 4.482 ( -2.534 0.000 -2.352) 3.458 4.660 ( -1.556 0.000 -1.369) 2.073 4.660 ( -2.187 0.000 0.057) 2.188 4.744 ( 1.551 0.000 -0.346) 1.589 4.790 ( 1.423 0.000 8.316) 8.437 4.877 ( -0.768 0.000 -2.516) 2.631 4.974 ( 4.035 0.000 4.438) 5.998 5.005 ( 10.998 0.000 6.443) 12.747 5.318 ( -7.563 0.000 -4.465) 8.783 5.513 ( -0.807 0.000 2.680) 2.799 5.627 ( -4.961 0.000 -13.026) 13.939 5.698 ( 1.472 0.000 0.795) 1.673 5.709 ( 1.620 0.000 1.039) 1.925 5.885 ( 0.227 0.000 1.411) 1.429 5.999 ( -0.341 0.000 0.132) 0.366 6.256 ( 10.449 0.000 11.189) 15.309 8.142 ( -0.258 0.000 -0.516) 0.577 8.175 ( -1.188 0.000 0.856) 1.465 8.246 ( -0.015 0.000 -0.740) 0.740 8.260 ( 0.457 0.000 -0.113) 0.470 8.502 ( 0.511 0.000 0.016) 0.511 8.517 ( 0.080 0.000 0.400) 0.408 8.545 ( -0.806 0.000 -0.311) 0.864 8.564 ( -0.018 0.000 0.341) 0.341 8.593 ( -0.043 0.000 -0.660) 0.661 8.613 ( -0.248 0.000 -0.199) 0.318 8.687 ( 2.218 0.000 0.913) 2.399 8.732 ( 0.304 0.000 -0.540) 0.620 8.977 ( 0.827 0.000 1.138) 1.407 8.999 ( -0.884 0.000 -1.051) 1.373 9.006 ( 0.136 0.000 -0.145) 0.199 9.087 ( 1.785 0.000 0.131) 1.790 9.241 ( -0.298 0.000 0.221) 0.371 9.258 ( -0.590 0.000 -0.125) 0.603 9.399 ( 1.197 0.000 0.753) 1.414 9.409 ( -0.201 0.000 -2.698) 2.706 10.262 ( -1.428 0.000 -1.135) 1.824 10.296 ( -1.381 0.000 -2.343) 2.719 10.350 ( -1.648 0.000 0.855) 1.856 10.367 ( -1.107 0.000 -0.514) 1.221 10.502 ( 0.395 0.000 0.172) 0.430 10.525 ( 0.627 0.000 1.712) 1.823 10.587 ( -1.109 0.000 1.531) 1.890 10.608 ( -0.474 0.000 -0.124) 0.490 10.873 ( 1.356 0.000 -0.353) 1.402 10.898 ( 1.500 0.000 0.004) 1.500 10.925 ( 0.136 0.000 0.776) 0.788 10.939 ( -0.165 0.000 -0.813) 0.830 13.287 ( -0.423 0.000 -0.125) 0.441 13.307 ( 0.092 0.000 -0.255) 0.271 13.365 ( 0.038 0.000 -0.007) 0.038 13.372 ( -0.142 0.000 0.104) 0.176 14.301 ( 0.206 0.000 -0.026) 0.208 14.328 ( 1.303 0.000 1.281) 1.827 14.349 ( -0.967 0.000 -0.955) 1.359 14.403 ( -0.359 0.000 -0.407) 0.542 14.437 ( 0.021 0.000 0.061) 0.064 14.551 ( 0.906 0.000 0.264) 0.944 14.567 ( 0.122 0.000 -0.660) 0.671 14.696 ( 0.084 0.000 -0.237) 0.252 14.725 ( 0.076 0.000 -0.024) 0.080 14.754 ( -6.973 0.000 -14.622) 16.199 14.796 ( -0.100 0.000 1.287) 1.291 14.864 ( -0.535 0.000 0.168) 0.561 14.870 ( -0.322 0.000 0.276) 0.425 15.047 ( -0.936 0.000 -1.202) 1.524 15.097 ( 0.088 0.000 1.476) 1.479 15.139 ( 0.818 0.000 -1.614) 1.810 15.144 ( -0.585 0.000 -0.156) 0.606 15.192 ( -0.575 0.000 -1.151) 1.287 15.220 ( 1.128 0.000 1.798) 2.122 15.241 ( 3.082 0.000 3.092) 4.365 18.009 ( 0.575 0.000 0.125) 0.588 18.017 ( 0.022 0.000 -0.045) 0.050 18.046 ( -1.029 0.000 -0.731) 1.262 18.054 ( 0.117 0.000 0.966) 0.973 19.068 ( -0.848 0.000 -2.041) 2.210 19.090 ( -1.138 0.000 -0.043) 1.139 19.207 ( -1.195 0.000 1.313) 1.776 19.307 ( 1.328 0.000 1.534) 2.028 21.403 ( -4.323 0.000 -7.526) 8.679 21.614 ( 1.840 0.000 2.615) 3.197 21.844 ( -0.335 0.000 0.566) 0.658 21.965 ( 1.724 0.000 -0.408) 1.772 22.056 ( -3.209 0.000 -0.251) 3.218 22.127 ( 0.112 0.000 -0.168) 0.202 22.163 ( 0.096 0.000 1.635) 1.638 22.305 ( 1.219 0.000 -0.830) 1.475 23.965 ( 0.947 0.000 1.138) 1.481 23.972 ( 1.061 0.000 1.312) 1.687 23.988 ( -1.097 0.000 -1.315) 1.712 23.991 ( -0.992 0.000 -1.056) 1.449 27.366 ( -1.804 0.000 -1.318) 2.234 27.497 ( -1.204 0.000 -0.698) 1.391 27.703 ( -8.451 0.000 -16.644) 18.666 27.770 ( -2.699 0.000 0.533) 2.751 27.770 ( -7.607 0.000 -9.463) 12.141 28.080 ( 4.117 0.000 4.168) 5.858 28.254 ( -1.240 0.000 6.987) 7.096 28.762 ( 8.800 0.000 -4.658) 9.957 31.517 ( 2.105 0.000 -1.556) 2.618 31.517 ( 0.187 0.000 0.998) 1.015 31.598 ( 0.746 0.000 0.224) 0.779 31.633 ( -0.004 0.000 0.177) 0.178 31.642 ( -5.730 0.000 -13.518) 14.682 31.752 ( -0.471 0.000 2.069) 2.122 31.870 ( -0.674 0.000 5.932) 5.970 31.943 ( 6.008 0.000 -3.523) 6.965 33.327 ( 0.189 0.000 -0.844) 0.865 33.335 ( -2.578 0.000 -0.216) 2.587 33.419 ( 0.816 0.000 -0.077) 0.819 33.444 ( -0.545 0.000 1.979) 2.053 36.415 ( 0.736 0.000 -2.271) 2.387 36.473 ( 2.840 0.000 0.421) 2.871 36.503 ( 0.826 0.000 0.165) 0.843 36.599 ( 1.009 0.000 -1.084) 1.481 36.606 ( -0.010 0.000 0.249) 0.249 36.679 ( -2.375 0.000 5.015) 5.548 36.785 ( -5.519 0.000 6.087) 8.216 36.917 ( -1.577 0.000 -2.480) 2.939 37.079 ( 0.245 0.000 -3.673) 3.681 37.087 ( 13.048 0.000 1.831) 13.176 37.595 ( -13.994 0.000 -12.253) 18.600 38.351 ( 12.487 0.000 25.123) 28.055 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 1.237 15.677 6.370) 16.967 0.684 ( 2.887 12.464 20.094) 23.821 1.143 ( -1.382 20.238 24.427) 31.752 1.272 ( -2.294 -5.787 -0.118) 6.226 1.333 ( 0.390 -5.580 -6.472) 8.554 1.468 ( 3.677 -5.537 -6.057) 8.992 1.500 ( -3.124 -5.711 -8.310) 10.556 1.522 ( -2.333 1.606 0.898) 2.971 1.595 ( -3.250 -1.706 -3.909) 5.362 1.698 ( 1.754 2.775 3.034) 4.470 1.731 ( -0.921 -2.012 -5.362) 5.801 1.857 ( -1.448 0.627 -3.762) 4.080 1.916 ( -4.444 -5.033 -2.498) 7.164 1.985 ( -0.795 1.631 -5.732) 6.012 2.071 ( -0.518 -4.204 1.237) 4.413 2.101 ( 0.711 0.542 1.298) 1.576 2.139 ( 1.479 2.371 3.676) 4.617 2.183 ( 2.077 -0.308 -2.709) 3.427 2.290 ( 0.358 -1.536 0.557) 1.672 2.339 ( 1.155 2.689 -3.156) 4.304 2.364 ( -1.471 1.330 -1.530) 2.505 2.465 ( 1.031 -5.761 1.063) 5.949 2.511 ( -3.003 -0.493 0.376) 3.067 2.547 ( 0.566 -1.042 -0.046) 1.187 2.594 ( -0.032 1.800 3.643) 4.064 2.623 ( -0.733 -1.923 -4.459) 4.911 2.719 ( -1.078 1.465 1.111) 2.131 2.818 ( 1.536 2.051 4.366) 5.063 2.928 ( -0.173 1.252 4.531) 4.704 2.954 ( 0.035 1.596 6.361) 6.558 3.080 ( 0.257 -3.405 -4.947) 6.011 3.132 ( -2.352 -0.735 -1.625) 2.952 3.163 ( -4.480 -2.246 -1.032) 5.117 3.254 ( -0.625 -0.395 3.124) 3.211 3.282 ( 6.278 -2.363 3.363) 7.504 3.351 ( 1.149 -6.586 3.303) 7.457 3.417 ( 2.454 3.001 2.924) 4.855 3.525 ( -0.739 2.930 -2.623) 4.001 3.592 ( -0.829 1.437 -2.625) 3.106 3.614 ( -0.879 3.655 -2.066) 4.290 3.661 ( 3.509 2.031 -0.965) 4.168 3.717 ( -6.064 1.292 -3.790) 7.267 3.747 ( 3.965 2.539 -5.255) 7.056 3.799 ( 1.600 2.314 2.646) 3.862 3.850 ( 0.997 -0.067 0.245) 1.029 3.873 ( 0.532 2.683 -3.376) 4.345 3.906 ( 0.948 -1.487 -1.142) 2.101 4.001 ( 0.940 -2.238 -1.445) 2.825 4.012 ( 0.644 2.975 3.784) 4.856 4.035 ( 0.265 1.616 -3.303) 3.687 4.119 ( 0.524 -3.421 0.334) 3.476 4.194 ( -1.388 -2.668 -1.261) 3.261 4.288 ( -2.422 0.666 1.654) 3.008 4.334 ( -1.097 2.592 -1.278) 3.091 4.369 ( -3.071 1.832 -3.396) 4.932 4.448 ( 0.027 -0.334 5.438) 5.448 4.503 ( 2.429 0.010 2.827) 3.728 4.634 ( 2.397 -0.027 0.768) 2.518 4.673 ( -0.047 1.115 -1.470) 1.846 4.745 ( 2.540 -3.618 5.150) 6.787 4.783 ( -1.509 -3.472 -6.332) 7.378 4.837 ( 1.504 -3.234 -1.417) 3.838 4.960 ( -4.737 2.394 -5.057) 7.331 5.106 ( -11.454 -3.462 -2.348) 12.194 5.316 ( 8.276 1.424 5.995) 10.318 5.376 ( 8.845 -1.756 4.780) 10.206 5.535 ( -3.314 4.860 -1.975) 6.206 5.709 ( -0.972 -2.107 -0.304) 2.340 5.766 ( 0.196 2.488 -0.044) 2.496 5.827 ( -2.679 0.327 -3.581) 4.484 5.993 ( 0.394 -2.954 2.716) 4.032 6.030 ( -5.917 -5.972 4.091) 9.349 8.142 ( 0.301 -0.010 -0.054) 0.306 8.145 ( -0.604 -0.114 -0.277) 0.675 8.255 ( 0.047 0.007 0.146) 0.154 8.263 ( 0.209 -0.169 -0.055) 0.274 8.532 ( -0.264 0.657 0.187) 0.732 8.549 ( 0.545 3.033 0.496) 3.121 8.551 ( -0.892 1.053 -0.298) 1.411 8.567 ( 0.350 1.647 0.353) 1.720 8.616 ( -0.001 0.109 1.054) 1.060 8.637 ( 1.250 -0.813 2.750) 3.128 8.674 ( -1.395 -1.508 -0.961) 2.268 8.728 ( 0.561 -1.714 0.232) 1.819 8.970 ( -0.495 0.236 -0.402) 0.680 8.996 ( 0.285 -0.706 -0.073) 0.765 9.018 ( 0.443 0.222 0.794) 0.936 9.082 ( -0.653 -2.177 -1.155) 2.549 9.269 ( 0.284 2.414 0.430) 2.469 9.303 ( -0.720 3.601 -0.956) 3.795 9.396 ( 0.756 -1.997 1.132) 2.417 9.435 ( 1.554 -2.556 0.956) 3.140 10.251 ( 1.086 -0.279 0.175) 1.134 10.271 ( 0.679 -0.924 0.527) 1.262 10.299 ( -0.418 0.819 -1.083) 1.421 10.344 ( -0.013 -0.528 -1.157) 1.271 10.506 ( 0.030 -0.150 0.482) 0.506 10.533 ( 0.024 -1.590 1.191) 1.987 10.575 ( -0.643 -0.026 0.132) 0.656 10.587 ( 0.181 -0.799 -0.606) 1.019 10.897 ( -0.285 0.147 0.047) 0.324 10.914 ( -0.339 -0.312 0.002) 0.461 10.938 ( 0.609 1.154 -0.957) 1.618 10.966 ( 0.204 1.080 -2.379) 2.621 13.287 ( -0.178 0.775 -0.548) 0.965 13.302 ( -0.344 0.187 -0.914) 0.995 13.375 ( 0.110 0.301 0.285) 0.429 13.378 ( 0.244 0.270 0.309) 0.477 14.303 ( -0.140 0.214 -0.439) 0.508 14.314 ( -1.064 -0.161 -1.102) 1.540 14.357 ( 0.833 -0.059 0.900) 1.227 14.380 ( 0.656 -1.264 0.441) 1.490 14.482 ( 0.580 1.860 0.885) 2.140 14.550 ( 0.439 -0.779 0.240) 0.926 14.614 ( -2.048 1.303 -4.256) 4.899 14.647 ( -1.778 -0.917 -2.208) 2.980 14.741 ( 3.360 2.763 3.026) 5.299 14.830 ( 2.761 -1.692 2.676) 4.201 14.873 ( -0.571 1.588 -0.363) 1.726 14.902 ( -1.363 4.141 0.144) 4.362 15.008 ( 1.200 -2.214 -0.412) 2.551 15.072 ( -1.496 -2.820 -1.568) 3.556 15.097 ( 2.036 1.508 -0.289) 2.550 15.122 ( 0.289 -0.149 1.201) 1.244 15.153 ( 0.343 0.832 -0.729) 1.158 15.189 ( -0.360 -1.072 0.254) 1.159 15.257 ( 2.648 2.944 -2.635) 4.756 15.320 ( 0.896 1.192 -2.272) 2.718 18.008 ( -0.413 -0.376 -0.015) 0.558 18.010 ( 0.012 -0.401 0.077) 0.409 18.039 ( 0.763 0.296 -0.620) 1.027 18.044 ( 0.599 -0.027 -0.720) 0.937 19.039 ( 0.231 -0.194 -2.472) 2.490 19.047 ( 0.745 -0.211 -2.513) 2.630 19.175 ( -2.604 -0.479 2.925) 3.946 19.194 ( -0.454 -0.993 2.013) 2.290 21.478 ( 5.012 -4.488 6.358) 9.257 21.564 ( -0.113 -6.469 1.465) 6.634 21.955 ( -0.189 5.405 1.722) 5.676 22.012 ( 0.273 0.356 0.051) 0.451 22.098 ( 0.315 0.096 -2.188) 2.212 22.137 ( -0.056 -0.084 -1.339) 1.343 22.303 ( 1.791 6.023 -4.894) 7.965 22.333 ( 0.269 2.214 -2.684) 3.490 23.955 ( -0.964 0.140 -1.167) 1.520 23.957 ( -0.889 0.026 -1.163) 1.464 24.005 ( 0.874 0.154 1.127) 1.434 24.007 ( 0.972 0.122 1.113) 1.483 27.478 ( 2.362 4.420 2.224) 5.483 27.586 ( 1.199 6.123 1.091) 6.334 27.655 ( 3.029 -0.597 4.063) 5.103 27.771 ( -1.132 4.059 -2.428) 4.863 28.067 ( -1.971 -6.198 5.062) 8.242 28.129 ( -4.768 -7.189 0.935) 8.677 28.619 ( 22.955 15.427 -21.034) 34.747 28.799 ( -0.042 1.077 -9.536) 9.597 31.517 ( -0.790 0.394 -0.013) 0.883 31.540 ( 1.189 -0.449 -0.666) 1.435 31.596 ( 0.500 -0.326 0.293) 0.665 31.612 ( 2.582 -1.533 2.141) 3.688 31.649 ( -0.890 1.144 -0.517) 1.538 31.742 ( -2.510 -2.828 -2.895) 4.762 32.073 ( 2.990 9.881 -4.101) 11.109 32.233 ( 18.405 4.857 -10.115) 21.556 33.310 ( -0.616 0.392 0.234) 0.766 33.337 ( -0.422 0.494 -0.610) 0.891 33.379 ( -3.138 -1.599 2.969) 4.606 33.423 ( 0.735 -1.182 0.524) 1.487 36.430 ( 2.338 -0.723 0.694) 2.544 36.473 ( -0.664 -1.829 -0.562) 2.026 36.513 ( 1.091 -0.246 0.658) 1.298 36.552 ( -0.898 -1.826 -0.308) 2.058 36.652 ( 1.348 1.670 1.060) 2.393 36.681 ( 0.891 -0.339 1.825) 2.058 36.814 ( -5.695 4.607 4.918) 8.823 36.937 ( -0.941 3.925 -2.043) 4.523 37.124 ( -2.374 0.790 -2.224) 3.348 37.176 ( -5.024 -0.321 -0.671) 5.079 37.329 ( -36.969 -16.758 14.456) 43.087 37.462 ( 17.603 -6.128 4.286) 19.126 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 10.500 4.952 14.174) 18.321 1.071 ( 12.596 8.636 18.099) 23.682 1.223 ( -0.013 -5.352 -12.461) 13.562 1.338 ( 1.860 -7.482 -7.778) 10.952 1.363 ( 4.290 -6.510 -4.269) 8.889 1.453 ( 5.716 -5.469 0.405) 7.922 1.527 ( 5.296 9.276 7.471) 13.035 1.530 ( 10.540 6.234 11.620) 16.881 1.673 ( 7.214 4.473 -0.568) 8.507 1.764 ( 11.162 -1.366 -4.287) 12.035 1.779 ( 3.602 -2.755 2.640) 5.247 1.850 ( 3.169 0.908 -2.625) 4.214 1.879 ( 4.344 -6.470 -4.677) 9.089 1.966 ( 1.172 2.142 0.189) 2.449 2.070 ( -2.132 -2.283 -4.209) 5.242 2.105 ( -1.973 -1.098 -2.928) 3.697 2.169 ( 3.388 -0.855 1.622) 3.853 2.202 ( 3.422 -2.655 -0.184) 4.335 2.316 ( 1.018 1.532 -1.985) 2.706 2.343 ( 2.743 0.471 -0.333) 2.803 2.388 ( 2.102 2.190 -0.380) 3.059 2.452 ( 1.246 -4.977 -1.641) 5.387 2.496 ( 0.761 2.338 2.579) 3.564 2.527 ( 0.436 -0.921 -3.037) 3.204 2.631 ( 0.419 1.382 3.238) 3.545 2.660 ( 4.017 -0.939 1.023) 4.250 2.723 ( 0.985 2.490 -0.900) 2.825 2.893 ( 3.929 -2.176 -0.128) 4.493 2.965 ( -2.290 1.474 0.034) 2.723 2.973 ( -0.468 3.762 5.570) 6.738 3.050 ( -3.799 1.806 1.676) 4.528 3.081 ( -0.021 0.256 -0.368) 0.449 3.194 ( 4.019 2.406 7.704) 9.016 3.246 ( -1.340 1.080 0.887) 1.936 3.322 ( -1.890 0.828 -1.442) 2.518 3.392 ( 0.259 -0.371 0.315) 0.551 3.456 ( -3.028 -2.005 0.559) 3.675 3.478 ( -3.734 -0.691 -1.703) 4.162 3.515 ( -0.211 1.099 -2.861) 3.072 3.545 ( -3.500 2.682 -1.238) 4.580 3.638 ( -2.626 -1.809 -2.310) 3.938 3.697 ( -3.191 2.968 -4.760) 6.454 3.744 ( 2.401 3.760 -0.631) 4.505 3.765 ( -2.503 -2.757 -1.587) 4.048 3.841 ( -3.664 1.319 0.322) 3.907 3.855 ( -4.299 3.352 0.454) 5.470 3.888 ( 1.891 -0.111 -1.546) 2.446 3.946 ( -2.516 -2.247 -0.771) 3.460 3.977 ( -2.838 -1.837 -2.276) 4.076 4.044 ( 0.739 1.336 1.100) 1.882 4.079 ( -2.132 -5.360 -1.609) 5.988 4.220 ( 2.611 -2.732 -2.134) 4.340 4.256 ( -2.594 -1.877 -5.029) 5.962 4.292 ( -0.244 3.157 2.361) 3.950 4.393 ( 4.498 -1.402 4.286) 6.369 4.437 ( -2.550 -2.684 1.168) 3.882 4.620 ( 4.093 3.462 2.912) 6.101 4.656 ( 1.018 1.023 -4.173) 4.416 4.683 ( -1.271 -3.315 4.775) 5.950 4.733 ( -0.089 0.511 0.243) 0.573 4.769 ( 0.512 -0.673 -2.956) 3.075 4.839 ( -2.734 1.927 -2.904) 4.430 4.892 ( -3.596 1.400 -0.371) 3.877 4.962 ( 3.584 -3.990 6.915) 8.751 5.422 ( -3.715 3.861 -3.450) 6.373 5.532 ( 6.367 0.525 1.857) 6.653 5.597 ( 1.341 -1.306 0.250) 1.888 5.636 ( 2.381 -2.556 -2.461) 4.273 5.737 ( -1.439 1.053 -0.383) 1.824 5.775 ( -1.562 -0.257 -0.276) 1.607 5.970 ( -2.772 -1.698 2.592) 4.158 6.018 ( -0.698 -2.639 2.595) 3.766 8.139 ( 0.359 0.461 -0.358) 0.686 8.158 ( 1.053 -0.280 0.398) 1.160 8.253 ( -0.260 -0.226 0.009) 0.345 8.262 ( -0.243 -0.235 -0.355) 0.490 8.523 ( -0.569 1.366 0.277) 1.506 8.542 ( 0.154 0.204 0.152) 0.297 8.552 ( -0.060 2.110 0.577) 2.188 8.585 ( 0.386 1.776 -0.250) 1.835 8.613 ( -1.620 -1.257 0.221) 2.063 8.630 ( -0.384 0.322 0.633) 0.807 8.675 ( -0.560 -0.947 2.063) 2.338 8.720 ( -1.232 -1.485 -0.696) 2.051 8.966 ( 0.058 0.535 0.341) 0.637 8.988 ( -0.243 -0.065 -0.777) 0.817 9.039 ( 0.286 -1.066 1.060) 1.530 9.051 ( -1.247 -1.342 -0.771) 1.988 9.276 ( -0.205 2.550 0.160) 2.563 9.291 ( 0.192 2.495 0.060) 2.503 9.388 ( -1.735 -1.020 0.200) 2.023 9.447 ( -0.703 -3.353 -0.279) 3.438 10.280 ( 1.381 0.065 -0.559) 1.491 10.287 ( 0.903 0.055 -0.921) 1.291 10.315 ( 1.961 -0.099 0.093) 1.966 10.362 ( 3.059 -1.090 -0.531) 3.291 10.510 ( -0.032 -0.003 0.997) 0.998 10.533 ( 0.003 -0.748 -0.149) 0.763 10.563 ( -0.088 0.077 -0.689) 0.699 10.603 ( 0.259 -2.614 1.133) 2.861 10.884 ( -1.016 0.259 -0.043) 1.049 10.900 ( -0.809 0.172 -0.068) 0.830 10.937 ( -0.858 1.352 -1.123) 1.956 10.946 ( 0.079 0.487 -0.531) 0.725 13.286 ( 0.329 0.562 -0.162) 0.671 13.289 ( -0.059 0.370 -0.783) 0.868 13.379 ( 0.053 0.472 0.195) 0.514 13.384 ( 0.125 0.477 0.094) 0.503 14.295 ( -0.213 -0.029 -0.247) 0.328 14.299 ( 0.198 -0.150 0.047) 0.252 14.371 ( -0.129 -0.261 0.346) 0.453 14.388 ( -0.212 -0.882 -0.457) 1.015 14.516 ( 1.140 1.636 1.337) 2.401 14.539 ( -1.191 1.186 -1.879) 2.521 14.584 ( 1.218 -1.242 0.951) 1.982 14.611 ( -0.456 -1.641 -1.775) 2.460 14.808 ( -3.183 4.414 -2.103) 5.834 14.831 ( 1.289 4.792 2.125) 5.398 14.868 ( 1.028 0.257 0.443) 1.149 14.883 ( -0.097 1.322 -0.455) 1.401 14.990 ( -4.619 -1.855 -3.035) 5.830 15.045 ( 1.415 -1.347 0.595) 2.042 15.119 ( -0.078 -0.058 0.485) 0.494 15.129 ( -0.277 -0.430 0.526) 0.734 15.139 ( -1.463 1.740 -0.972) 2.472 15.177 ( -0.711 -0.356 -0.207) 0.822 15.198 ( -3.787 0.649 -0.975) 3.965 15.313 ( -0.507 -3.022 -0.584) 3.119 18.010 ( 0.574 -0.392 0.197) 0.722 18.020 ( 0.848 -0.484 0.548) 1.120 18.044 ( 0.177 0.090 -0.650) 0.680 18.049 ( 0.463 0.009 -0.828) 0.948 19.045 ( 2.417 0.147 -2.609) 3.560 19.058 ( 2.195 -0.357 -1.750) 2.830 19.180 ( -0.137 -0.138 2.585) 2.592 19.215 ( 0.785 -1.337 1.789) 2.367 21.533 ( -1.969 -2.949 0.233) 3.554 21.613 ( 2.328 -9.033 2.494) 9.656 21.929 ( -2.278 2.855 0.806) 3.741 22.018 ( -1.642 -1.520 -0.440) 2.280 22.089 ( 1.608 2.020 -0.090) 2.583 22.136 ( 0.791 1.281 -1.208) 1.930 22.250 ( -2.648 6.275 -1.530) 6.981 22.306 ( -0.854 1.448 -1.639) 2.348 23.938 ( -0.081 0.157 -0.106) 0.206 23.941 ( -0.022 0.003 -0.159) 0.160 24.021 ( 0.062 0.184 0.160) 0.252 24.023 ( 0.026 0.191 0.109) 0.221 27.563 ( -2.909 5.773 -2.060) 6.785 27.590 ( 3.250 6.153 3.586) 7.828 27.709 ( 2.285 3.783 0.398) 4.437 27.748 ( 2.003 4.410 -1.418) 5.046 27.901 ( -10.337 -3.654 -4.328) 11.787 28.143 ( -2.411 -9.786 7.971) 12.850 28.620 ( -7.700 1.721 -10.182) 12.881 28.714 ( 2.261 -2.184 -8.188) 8.770 31.494 ( -1.276 1.037 -0.412) 1.695 31.550 ( -0.555 -0.726 -0.328) 0.971 31.583 ( -1.493 -0.134 -0.606) 1.617 31.604 ( -1.597 -0.513 -1.563) 2.293 31.629 ( -1.798 0.260 -0.145) 1.823 31.708 ( -0.480 -4.401 0.733) 4.487 32.045 ( -2.124 9.165 -2.550) 9.748 32.365 ( 3.470 -4.265 -7.755) 9.506 33.314 ( -0.161 -0.042 0.422) 0.453 33.323 ( 1.076 -0.218 -0.218) 1.119 33.382 ( 0.643 1.086 1.108) 1.680 33.442 ( 0.403 -1.009 1.123) 1.563 36.428 ( -1.540 0.602 -1.059) 1.964 36.514 ( 1.412 -2.850 0.236) 3.189 36.535 ( 1.516 -0.383 -1.744) 2.342 36.555 ( 1.702 -1.641 0.843) 2.510 36.665 ( -0.592 1.000 1.555) 1.941 36.690 ( -2.172 0.854 0.484) 2.383 36.754 ( -6.789 1.231 4.461) 8.216 36.856 ( -6.084 -2.474 1.290) 6.693 36.941 ( -6.879 0.159 2.782) 7.422 36.981 ( 0.104 -2.626 0.177) 2.634 37.355 ( 11.265 12.480 0.260) 16.815 37.895 ( 18.306 -9.937 7.391) 22.102 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 11.510 1.568 11.351) 16.241 1.134 ( 7.060 -0.256 -7.650) 10.413 1.338 ( 4.209 1.251 -6.727) 8.033 1.425 ( 6.071 8.437 11.985) 15.865 1.514 ( 8.439 -10.279 5.856) 14.532 1.574 ( 5.090 2.866 0.868) 5.906 1.682 ( 5.493 3.284 0.883) 6.461 1.709 ( 2.789 -0.510 0.866) 2.965 1.787 ( -4.247 -3.593 4.065) 6.889 1.834 ( 0.643 6.084 -0.806) 6.171 1.838 ( 4.219 -2.464 -2.127) 5.329 1.921 ( -2.386 0.886 -0.036) 2.545 1.964 ( 5.578 1.851 -2.028) 6.217 2.060 ( 12.634 0.863 -4.518) 13.445 2.114 ( 9.053 -3.674 -0.796) 9.802 2.170 ( 6.826 -0.943 -1.324) 7.017 2.223 ( 7.682 -7.467 3.546) 11.285 2.252 ( 2.719 -0.868 -1.039) 3.037 2.352 ( 5.619 -2.341 -4.096) 7.337 2.392 ( 2.570 1.735 2.754) 4.147 2.418 ( 1.594 -4.603 -1.793) 5.190 2.524 ( 1.041 -1.833 0.888) 2.287 2.556 ( 3.512 2.781 0.345) 4.492 2.640 ( 4.259 3.415 0.445) 5.477 2.656 ( 7.746 0.952 1.200) 7.896 2.738 ( 5.847 5.715 2.157) 8.456 2.764 ( 3.827 0.148 -1.733) 4.204 2.893 ( -4.369 0.576 0.779) 4.475 2.900 ( -2.617 -0.453 1.012) 2.842 2.968 ( -1.831 3.281 -3.351) 5.035 3.052 ( 1.464 -1.643 2.028) 2.993 3.127 ( 0.896 1.805 3.699) 4.212 3.225 ( -5.078 0.948 -1.501) 5.379 3.259 ( 2.087 -1.364 3.202) 4.059 3.324 ( -2.826 -0.114 0.781) 2.934 3.334 ( -5.573 -1.515 -1.604) 5.994 3.353 ( -4.478 1.579 -2.441) 5.339 3.389 ( -1.240 1.748 3.745) 4.315 3.445 ( -3.607 0.386 -1.189) 3.817 3.471 ( -2.384 -0.501 -1.905) 3.093 3.505 ( -5.310 1.862 -3.697) 6.732 3.614 ( -1.391 1.890 -0.963) 2.537 3.673 ( -6.667 4.718 -3.211) 8.776 3.708 ( -1.970 1.499 -3.646) 4.407 3.792 ( -1.244 -0.191 1.684) 2.103 3.805 ( 0.262 -0.260 -0.266) 0.455 3.874 ( -5.055 -1.359 -0.940) 5.319 3.932 ( 2.066 -5.882 -2.020) 6.554 3.949 ( -1.061 -4.548 3.457) 5.811 4.018 ( -0.360 -6.287 -5.316) 8.241 4.121 ( 3.882 0.001 1.532) 4.173 4.173 ( -4.442 -2.406 1.815) 5.367 4.222 ( -0.136 -3.162 -4.566) 5.555 4.303 ( 1.351 0.432 -1.371) 1.973 4.389 ( -1.447 -0.220 3.519) 3.812 4.513 ( 0.685 -3.154 4.059) 5.186 4.598 ( -2.384 1.561 -1.302) 3.133 4.630 ( -2.039 2.420 -1.943) 3.714 4.709 ( 0.596 0.336 -0.746) 1.013 4.720 ( -1.147 -0.881 0.468) 1.520 4.790 ( 0.053 3.173 -1.272) 3.419 4.819 ( 2.286 5.398 2.921) 6.550 4.920 ( 2.974 1.089 3.203) 4.505 5.089 ( 1.207 -2.834 6.778) 7.445 5.314 ( -2.722 1.869 -3.531) 4.834 5.440 ( -3.317 -2.964 -7.669) 8.866 5.668 ( 3.240 0.855 -0.079) 3.352 5.684 ( -2.271 -2.189 -0.015) 3.154 5.717 ( -0.022 0.892 0.384) 0.971 5.790 ( 2.040 -1.136 2.617) 3.508 5.966 ( -0.350 0.892 2.125) 2.331 6.017 ( -1.505 -1.043 2.533) 3.126 8.153 ( 1.294 0.816 -0.193) 1.542 8.186 ( 1.196 -0.391 0.842) 1.514 8.241 ( -0.937 -0.058 -0.193) 0.958 8.250 ( -0.315 -0.307 -0.681) 0.811 8.525 ( 0.075 0.330 -0.272) 0.434 8.543 ( 0.281 0.431 0.874) 1.014 8.549 ( -0.729 -0.308 -0.611) 1.000 8.589 ( 0.525 0.493 -0.010) 0.720 8.592 ( -0.735 0.526 0.712) 1.150 8.634 ( -0.556 0.272 0.310) 0.692 8.660 ( -1.677 -1.385 -0.156) 2.181 8.683 ( -1.234 -0.497 -0.419) 1.395 8.972 ( 0.127 0.139 0.498) 0.532 8.983 ( 0.150 -0.156 -0.141) 0.259 9.020 ( -0.986 -0.025 -0.679) 1.198 9.043 ( -0.679 -0.849 0.294) 1.127 9.274 ( 0.186 1.395 -0.064) 1.409 9.301 ( 0.445 2.227 0.312) 2.293 9.351 ( -1.636 -1.024 -0.222) 1.943 9.417 ( -1.591 -2.301 -0.751) 2.896 10.305 ( 2.185 0.520 -1.178) 2.536 10.306 ( 1.572 0.034 -0.273) 1.596 10.348 ( 1.287 0.441 0.342) 1.403 10.415 ( 1.732 -1.452 -0.549) 2.326 10.533 ( 0.388 0.124 -0.702) 0.812 10.543 ( 1.590 -0.184 2.095) 2.637 10.561 ( 0.676 -0.493 -0.778) 1.142 10.606 ( -0.851 -2.377 1.206) 2.798 10.863 ( -1.052 0.561 0.074) 1.195 10.885 ( -0.744 0.276 0.324) 0.857 10.913 ( -0.756 1.544 -0.357) 1.756 10.934 ( -0.880 0.140 -0.513) 1.029 13.290 ( 0.441 0.608 -0.049) 0.753 13.293 ( 0.302 0.625 0.172) 0.715 13.379 ( -0.162 0.617 -0.122) 0.649 13.387 ( 0.226 0.457 -0.037) 0.512 14.298 ( 0.350 0.108 0.245) 0.440 14.316 ( 0.931 -0.591 0.977) 1.473 14.360 ( -0.856 -0.847 -0.561) 1.329 14.365 ( -0.935 -0.589 -1.177) 1.614 14.495 ( -0.503 1.734 -1.072) 2.100 14.552 ( 0.104 0.033 0.098) 0.147 14.597 ( -0.130 2.557 -0.068) 2.561 14.628 ( 1.914 -1.147 1.662) 2.782 14.716 ( -2.301 2.523 -2.524) 4.247 14.814 ( -4.697 -1.231 -4.073) 6.337 14.850 ( -1.116 5.763 0.679) 5.909 14.889 ( 0.242 1.602 0.195) 1.632 14.943 ( 1.854 2.994 1.730) 3.924 15.057 ( -1.530 -1.002 -1.731) 2.518 15.077 ( 0.065 1.304 -0.848) 1.556 15.108 ( -1.532 -0.080 0.692) 1.683 15.131 ( -1.101 -1.183 1.182) 2.002 15.148 ( -0.708 0.192 -0.016) 0.734 15.181 ( -0.246 -1.600 0.506) 1.696 15.297 ( -0.784 -3.893 -0.253) 3.979 18.022 ( 0.384 -0.175 -0.480) 0.640 18.038 ( -0.138 0.069 0.000) 0.154 18.045 ( 0.135 -0.039 -0.740) 0.753 18.049 ( 0.978 -1.174 0.715) 1.687 19.076 ( 2.732 0.033 -1.740) 3.239 19.090 ( 2.037 -0.654 -0.565) 2.213 19.198 ( -0.273 0.014 1.935) 1.955 19.248 ( 0.930 -1.757 1.241) 2.343 21.485 ( -1.669 0.100 -1.603) 2.316 21.645 ( 0.435 -8.228 -0.582) 8.260 21.901 ( -1.043 0.797 0.137) 1.320 21.971 ( -1.878 -1.986 -0.994) 2.909 22.125 ( 1.267 2.046 0.496) 2.457 22.142 ( 0.326 3.929 -0.116) 3.944 22.202 ( -2.095 3.001 1.030) 3.803 22.272 ( -1.011 0.726 -1.461) 1.920 23.951 ( 0.877 0.088 0.957) 1.301 23.954 ( 0.851 -0.025 0.891) 1.233 24.010 ( -0.791 0.230 -0.887) 1.210 24.010 ( -0.876 0.243 -0.898) 1.278 27.469 ( -2.806 4.292 -2.613) 5.755 27.617 ( -0.073 5.332 -2.478) 5.880 27.698 ( -4.240 -0.854 -4.527) 6.261 27.770 ( 2.461 3.214 1.927) 4.483 27.853 ( 5.367 3.184 3.552) 7.180 28.131 ( -5.243 -8.989 6.171) 12.098 28.363 ( -9.242 4.322 -8.240) 13.114 28.651 ( -2.655 -5.288 -3.320) 6.785 31.466 ( -1.145 1.406 -0.326) 1.843 31.506 ( -2.015 0.599 -0.468) 2.154 31.552 ( -1.185 -1.457 -0.374) 1.915 31.572 ( -0.289 -1.226 -1.471) 1.937 31.619 ( -0.234 0.845 1.631) 1.852 31.685 ( -2.399 -2.610 0.623) 3.599 31.970 ( -3.126 7.956 -1.883) 8.753 32.307 ( -2.196 -5.703 -4.932) 7.854 33.323 ( 0.912 0.365 -0.435) 1.074 33.348 ( 1.997 -0.576 -1.560) 2.599 33.406 ( 0.622 1.135 1.229) 1.785 33.457 ( -0.095 -0.794 1.427) 1.636 36.394 ( -0.894 1.919 -0.541) 2.185 36.499 ( -1.823 -2.202 -0.504) 2.903 36.524 ( -0.926 0.540 -1.641) 1.960 36.580 ( -2.124 -1.652 -0.913) 2.842 36.612 ( -1.263 0.176 -0.217) 1.294 36.643 ( -1.961 2.052 -0.156) 2.843 36.713 ( -1.535 -1.492 3.117) 3.782 36.828 ( 1.714 -0.482 1.295) 2.201 36.943 ( 3.073 -1.352 0.095) 3.358 37.075 ( 3.800 -4.519 6.463) 8.754 37.550 ( 8.347 16.067 -0.536) 18.114 38.227 ( 9.280 -12.319 4.728) 16.132 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 5.752 3.425 1.681) 6.903 1.339 ( 3.615 1.644 4.958) 6.353 1.362 ( 9.012 5.657 -3.636) 11.245 1.481 ( -6.797 8.360 0.731) 10.799 1.586 ( -4.002 3.069 9.735) 10.964 1.655 ( -0.569 0.350 -0.217) 0.702 1.680 ( 1.905 -0.009 2.556) 3.188 1.741 ( 2.744 -2.524 3.068) 4.828 1.799 ( 0.991 2.343 1.114) 2.777 1.807 ( -3.966 -2.177 1.228) 4.688 1.931 ( 5.417 -3.534 -0.477) 6.485 1.978 ( 2.462 0.354 2.766) 3.719 2.037 ( 3.509 -4.723 -1.355) 6.038 2.134 ( -0.234 -7.367 -2.024) 7.644 2.244 ( 4.637 0.199 0.319) 4.652 2.296 ( -0.977 -0.336 -1.172) 1.563 2.307 ( 1.331 -2.963 0.531) 3.292 2.338 ( 6.083 -2.584 -0.585) 6.635 2.426 ( 11.740 -3.083 -1.049) 12.184 2.492 ( -2.559 0.726 2.005) 3.331 2.554 ( 6.982 1.728 1.223) 7.295 2.607 ( -0.643 1.702 -0.492) 1.885 2.617 ( 10.456 1.683 1.748) 10.734 2.669 ( 4.079 5.513 -4.352) 8.122 2.724 ( 0.435 1.325 -0.739) 1.578 2.760 ( 2.008 2.119 -2.588) 3.901 2.813 ( -7.540 1.461 3.342) 8.376 2.861 ( -2.594 -1.315 0.356) 2.930 2.880 ( -1.587 -1.583 1.856) 2.910 2.942 ( 3.064 -4.600 -3.111) 6.342 3.042 ( -5.461 0.171 0.449) 5.482 3.114 ( 0.288 1.038 0.761) 1.319 3.156 ( -0.670 1.005 -0.792) 1.445 3.197 ( -2.650 1.848 -1.224) 3.455 3.251 ( -4.708 1.364 -2.093) 5.330 3.276 ( -1.548 4.259 0.893) 4.618 3.311 ( -1.085 -0.946 -0.178) 1.450 3.342 ( 0.269 -2.856 -2.823) 4.025 3.397 ( -1.970 1.700 1.405) 2.957 3.439 ( -0.824 1.815 1.469) 2.476 3.542 ( 0.861 -2.659 -0.030) 2.795 3.594 ( -0.110 2.484 -1.236) 2.777 3.613 ( 2.267 2.479 1.478) 3.670 3.692 ( 2.313 -0.550 1.504) 2.813 3.749 ( -2.944 -2.162 -0.240) 3.661 3.799 ( 0.932 -3.987 2.219) 4.657 3.811 ( 0.337 1.445 -1.091) 1.842 3.886 ( -2.521 -1.531 -3.594) 4.649 3.960 ( 0.570 -6.780 -0.088) 6.805 4.030 ( 3.048 -1.524 1.525) 3.734 4.070 ( -3.804 -2.853 -2.288) 5.277 4.115 ( -0.567 -3.094 0.418) 3.173 4.241 ( 0.417 -3.510 0.898) 3.647 4.331 ( 1.841 -2.133 -4.088) 4.965 4.389 ( -1.364 2.062 -0.735) 2.579 4.521 ( -2.554 4.075 1.123) 4.939 4.558 ( -0.936 2.071 1.909) 2.968 4.590 ( 0.319 -0.243 0.165) 0.433 4.685 ( -1.222 -0.565 -0.317) 1.383 4.709 ( -0.077 0.324 -0.472) 0.577 4.805 ( -1.283 3.008 -0.047) 3.271 4.842 ( -0.307 5.150 0.785) 5.218 4.959 ( -0.410 0.912 -0.281) 1.038 5.053 ( -3.515 -1.997 -7.519) 8.537 5.312 ( 1.155 0.787 1.545) 2.083 5.416 ( 3.490 -5.546 6.193) 9.016 5.637 ( -1.277 -0.080 0.272) 1.308 5.678 ( -0.053 -0.686 -2.694) 2.781 5.751 ( 1.549 2.396 0.031) 2.853 5.812 ( -1.312 0.654 0.595) 1.582 5.975 ( -0.701 0.619 1.909) 2.125 6.010 ( -1.267 -0.886 1.703) 2.300 8.181 ( 1.580 0.981 0.034) 1.860 8.207 ( -0.127 0.234 0.538) 0.600 8.219 ( -1.076 -0.061 0.203) 1.097 8.245 ( 0.481 -0.802 -0.399) 1.017 8.521 ( 0.314 -0.252 -0.857) 0.947 8.529 ( -0.464 -0.795 -0.592) 1.095 8.556 ( -0.082 -0.607 0.430) 0.748 8.587 ( -1.259 -1.030 -0.698) 1.770 8.600 ( 0.782 1.086 0.275) 1.366 8.602 ( -0.496 0.213 -0.685) 0.872 8.645 ( -0.263 -0.141 0.183) 0.350 8.669 ( -0.340 -0.349 0.190) 0.523 8.980 ( -0.066 -0.220 0.522) 0.570 8.985 ( 0.091 -0.406 0.168) 0.449 9.005 ( -0.059 0.672 -0.200) 0.703 9.029 ( -0.461 -0.220 -0.256) 0.571 9.279 ( 0.275 0.682 -0.061) 0.738 9.308 ( -0.045 1.678 -0.439) 1.735 9.331 ( -0.333 -0.883 0.417) 1.032 9.384 ( -0.708 -1.669 -0.867) 2.010 10.333 ( 1.140 0.071 0.064) 1.144 10.337 ( 1.394 0.212 -0.167) 1.420 10.368 ( 0.434 0.668 0.262) 0.839 10.423 ( 0.299 -0.741 -0.769) 1.109 10.527 ( 0.201 0.313 -1.510) 1.555 10.551 ( -0.332 -0.103 -1.258) 1.305 10.595 ( 0.732 -1.536 1.167) 2.063 10.600 ( -0.842 -1.386 1.307) 2.082 10.850 ( -0.443 0.580 0.429) 0.847 10.880 ( -0.289 0.063 0.560) 0.634 10.904 ( 0.097 1.483 -0.183) 1.498 10.909 ( -0.920 0.776 -0.516) 1.310 13.298 ( 0.081 0.875 0.355) 0.948 13.301 ( 0.272 0.643 0.408) 0.808 13.375 ( -0.017 0.749 -0.156) 0.766 13.390 ( 0.105 0.208 -0.168) 0.287 14.303 ( -0.049 0.277 -0.281) 0.397 14.328 ( -0.978 -0.614 -1.402) 1.816 14.345 ( 0.918 -0.802 1.081) 1.629 14.354 ( 0.172 -0.869 0.392) 0.969 14.492 ( 0.431 2.389 0.262) 2.442 14.553 ( 0.108 -0.026 -0.013) 0.111 14.585 ( -0.515 4.771 0.316) 4.809 14.681 ( -0.215 -0.379 0.472) 0.642 14.702 ( 2.153 0.378 1.239) 2.513 14.725 ( -0.210 0.514 0.418) 0.695 14.841 ( -0.562 3.903 0.292) 3.954 14.894 ( 0.070 1.877 0.062) 1.880 14.970 ( -0.628 4.274 -1.615) 4.612 15.030 ( 1.012 -2.524 0.714) 2.811 15.079 ( -1.245 -1.020 0.077) 1.611 15.087 ( -0.088 -0.704 0.312) 0.775 15.115 ( -1.082 -0.529 0.673) 1.380 15.140 ( -0.304 0.588 0.044) 0.663 15.179 ( -0.241 -1.285 0.058) 1.309 15.277 ( -0.375 -3.553 -1.695) 3.955 18.013 ( -0.091 0.059 -1.249) 1.253 18.034 ( -0.077 -0.566 -1.406) 1.518 18.044 ( 0.066 -0.031 0.684) 0.688 18.068 ( 0.211 -0.867 0.506) 1.026 19.113 ( 1.802 -0.315 -0.354) 1.864 19.120 ( 1.441 -0.456 -0.169) 1.521 19.200 ( -1.160 0.251 1.456) 1.879 19.262 ( -0.311 -1.835 0.079) 1.863 21.458 ( 0.290 1.001 -1.132) 1.539 21.630 ( -0.212 -7.186 -3.069) 7.817 21.888 ( -0.342 -0.142 -0.296) 0.474 21.935 ( -0.670 -1.568 -1.619) 2.351 22.138 ( -0.019 3.351 0.059) 3.352 22.149 ( 0.267 4.017 0.710) 4.088 22.184 ( -1.289 0.398 1.558) 2.061 22.250 ( 0.101 0.155 -0.953) 0.971 23.968 ( -0.564 -0.070 -0.517) 0.768 23.971 ( -0.767 -0.166 -0.646) 1.016 23.991 ( 0.730 0.454 0.649) 1.077 23.995 ( 0.599 0.271 0.532) 0.846 27.438 ( 0.654 3.420 0.911) 3.599 27.622 ( 2.750 1.416 0.654) 3.161 27.655 ( 0.358 1.474 0.299) 1.546 27.802 ( -0.212 1.591 -0.174) 1.615 27.960 ( 0.952 -2.939 1.127) 3.289 28.080 ( -4.057 -6.955 2.814) 8.529 28.170 ( -1.808 10.641 -3.731) 11.421 28.563 ( -2.355 -4.847 -5.353) 7.596 31.453 ( -0.084 1.327 0.419) 1.394 31.485 ( -0.450 1.451 0.762) 1.700 31.540 ( -0.246 -1.977 0.481) 2.050 31.564 ( 0.580 -1.393 0.011) 1.509 31.635 ( -0.660 -0.848 0.150) 1.085 31.646 ( -0.935 -0.625 1.885) 2.195 31.905 ( -1.411 7.251 -2.333) 7.747 32.212 ( -1.827 -5.082 -7.394) 9.156 33.335 ( 0.898 0.521 -0.867) 1.352 33.368 ( 1.728 -0.705 -2.010) 2.743 33.425 ( -0.068 0.850 1.799) 1.991 33.462 ( -0.853 -0.547 1.470) 1.785 36.389 ( 0.366 1.830 0.062) 1.867 36.457 ( -0.839 -0.882 -0.936) 1.535 36.480 ( -1.840 0.485 -0.866) 2.091 36.535 ( -0.053 -1.112 -2.860) 3.069 36.585 ( -1.413 0.374 0.458) 1.532 36.647 ( 1.808 2.194 -2.196) 3.592 36.709 ( -1.518 -2.872 2.776) 4.273 36.886 ( 1.843 -1.920 1.577) 3.093 37.002 ( 1.437 -0.557 2.360) 2.819 37.212 ( 1.897 -4.306 11.010) 11.973 37.652 ( 2.930 15.728 -0.904) 16.024 38.319 ( -0.285 -11.829 -2.916) 12.187 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -6.740 9.293 1.007) 11.524 1.306 ( -6.428 5.052 -0.687) 8.205 1.321 ( -7.937 5.348 5.513) 11.046 1.452 ( -3.466 -0.590 -0.747) 3.595 1.602 ( -1.754 2.827 -0.631) 3.386 1.696 ( -1.931 -1.691 4.807) 5.449 1.735 ( 0.483 -2.929 4.360) 5.274 1.773 ( -0.135 -1.830 2.162) 2.836 1.815 ( 3.360 0.410 4.131) 5.341 1.847 ( 0.389 -1.158 2.440) 2.729 1.969 ( -3.491 -3.511 1.422) 5.151 2.005 ( -1.323 -1.042 1.813) 2.474 2.083 ( -2.797 -4.426 0.489) 5.258 2.097 ( 5.355 -3.880 0.072) 6.613 2.211 ( -5.011 -7.265 0.122) 8.827 2.299 ( -3.453 3.796 -0.142) 5.134 2.336 ( -0.671 -2.246 -0.089) 2.346 2.367 ( -3.034 0.569 -2.355) 3.883 2.402 ( -1.819 -1.549 0.791) 2.517 2.516 ( -9.328 4.119 -4.419) 11.114 2.546 ( -1.827 -0.317 2.323) 2.973 2.583 ( -2.202 2.381 0.762) 3.331 2.610 ( -6.206 -0.841 -2.907) 6.905 2.674 ( -6.136 -0.449 -1.053) 6.242 2.740 ( 1.254 2.174 1.430) 2.889 2.745 ( 0.103 3.684 0.034) 3.686 2.784 ( -1.180 1.294 0.297) 1.776 2.839 ( -0.794 1.139 -0.177) 1.400 2.868 ( 2.210 -3.214 2.690) 4.738 2.944 ( 1.926 -1.272 -5.415) 5.886 3.079 ( -1.977 1.229 -0.229) 2.339 3.101 ( 0.836 0.433 0.242) 0.972 3.124 ( 3.854 1.235 -1.605) 4.354 3.202 ( 4.645 0.246 0.145) 4.654 3.210 ( -0.944 1.720 -0.902) 2.159 3.278 ( 2.494 0.759 -0.225) 2.617 3.296 ( -1.017 -1.659 -0.691) 2.065 3.346 ( -0.525 4.488 1.637) 4.806 3.401 ( 3.965 -5.555 1.326) 6.952 3.461 ( 1.357 0.612 -0.529) 1.580 3.515 ( 1.624 -2.237 -1.119) 2.982 3.570 ( 0.294 2.069 2.430) 3.205 3.617 ( 0.620 1.278 -1.276) 1.909 3.743 ( 2.046 -2.086 -0.291) 2.936 3.757 ( 3.320 -1.748 -0.404) 3.774 3.822 ( -0.001 0.511 2.095) 2.157 3.874 ( 4.812 2.536 0.405) 5.455 3.929 ( -0.495 -1.549 1.676) 2.335 3.958 ( 0.308 -7.533 -0.513) 7.556 4.045 ( 4.552 1.890 2.384) 5.475 4.103 ( 2.391 3.212 -0.306) 4.016 4.138 ( -4.250 -0.483 -3.661) 5.630 4.223 ( -1.713 -5.791 0.620) 6.071 4.286 ( 0.622 -2.265 -5.698) 6.163 4.374 ( 4.456 -2.364 3.960) 6.413 4.480 ( -2.553 -0.609 -0.473) 2.667 4.587 ( 3.201 4.552 0.534) 5.590 4.648 ( 0.479 1.819 -1.280) 2.275 4.658 ( -2.205 1.731 -1.379) 3.124 4.688 ( 1.783 -1.334 0.865) 2.388 4.743 ( -1.035 0.656 -1.572) 1.993 4.820 ( -2.862 2.276 -0.858) 3.756 4.892 ( -1.753 -0.547 -3.704) 4.134 4.976 ( -1.051 -0.149 -2.046) 2.305 5.380 ( 2.928 2.993 5.314) 6.765 5.575 ( 4.178 -5.065 6.134) 8.985 5.626 ( -1.051 -0.771 -3.402) 3.643 5.638 ( 0.405 -0.742 -1.771) 1.962 5.745 ( -1.965 2.732 -0.049) 3.366 5.787 ( -0.108 2.263 -0.557) 2.333 5.980 ( -0.643 -0.651 2.662) 2.815 6.001 ( -0.798 -1.535 1.099) 2.049 8.189 ( -1.097 0.401 -0.166) 1.180 8.193 ( -0.981 0.553 0.568) 1.262 8.227 ( 1.244 0.069 0.413) 1.313 8.253 ( 0.388 -0.453 -0.203) 0.630 8.517 ( -0.123 -0.568 -0.819) 1.004 8.523 ( 0.058 -0.556 -0.567) 0.796 8.552 ( 0.158 -0.746 -0.700) 1.035 8.560 ( -0.444 -1.028 -0.364) 1.178 8.592 ( 0.073 0.322 -0.073) 0.338 8.610 ( -0.057 -0.997 -0.459) 1.099 8.653 ( 0.036 0.271 0.487) 0.559 8.672 ( 0.983 0.059 0.069) 0.988 8.976 ( -0.517 0.360 0.324) 0.709 8.992 ( 0.320 -0.181 0.559) 0.669 9.011 ( 0.672 0.193 -0.053) 0.701 9.025 ( 0.154 -0.339 -0.485) 0.612 9.280 ( -0.283 0.889 0.056) 0.935 9.295 ( -0.282 0.947 -0.585) 1.148 9.338 ( 0.475 -0.097 0.392) 0.623 9.383 ( 1.190 -1.890 -1.016) 2.454 10.339 ( -0.828 0.139 0.252) 0.876 10.350 ( -0.091 0.091 0.400) 0.420 10.368 ( -0.564 0.479 0.092) 0.746 10.420 ( 0.036 -0.965 -1.190) 1.532 10.514 ( -0.561 -0.065 -1.239) 1.361 10.523 ( -0.490 0.012 -1.565) 1.639 10.596 ( -0.560 -0.691 1.147) 1.451 10.601 ( -0.602 -0.693 0.689) 1.148 10.857 ( 0.526 0.367 0.773) 1.005 10.875 ( -0.256 -0.287 0.085) 0.394 10.899 ( 0.356 2.079 -0.312) 2.132 10.919 ( 1.347 1.247 -0.093) 1.838 13.301 ( -0.089 0.815 0.464) 0.942 13.306 ( -0.076 0.526 0.540) 0.758 13.376 ( 0.132 0.624 -0.045) 0.640 13.386 ( -0.206 0.333 -0.377) 0.544 14.295 ( -0.194 0.047 -0.335) 0.390 14.303 ( -0.478 -0.294 -0.858) 1.025 14.362 ( 0.288 -0.521 0.523) 0.792 14.376 ( 0.842 -0.837 0.550) 1.308 14.515 ( 1.301 2.840 0.968) 3.271 14.538 ( -1.004 2.147 -1.334) 2.719 14.602 ( 0.876 1.927 1.670) 2.696 14.648 ( -1.490 -0.874 -0.288) 1.751 14.753 ( 1.913 1.989 2.781) 3.917 14.817 ( 1.108 1.477 0.153) 1.853 14.852 ( 3.764 2.084 4.018) 5.887 14.895 ( 0.193 1.661 1.103) 2.003 14.922 ( -1.464 1.651 -2.160) 3.088 15.049 ( -0.520 -0.738 -2.444) 2.605 15.076 ( 1.723 -1.789 1.135) 2.731 15.079 ( -0.810 -3.644 -0.262) 3.742 15.119 ( 0.718 1.685 1.018) 2.095 15.136 ( 0.037 0.807 -0.081) 0.812 15.173 ( -0.340 -0.573 0.058) 0.669 15.252 ( -0.090 -2.569 -2.880) 3.860 18.004 ( 0.295 -0.191 -0.991) 1.051 18.017 ( -0.246 -0.639 -1.506) 1.654 18.048 ( -0.258 0.150 0.473) 0.560 18.070 ( -0.144 -0.545 0.031) 0.565 19.126 ( -0.249 -0.050 0.383) 0.460 19.144 ( 0.625 0.013 -0.869) 1.070 19.188 ( -1.152 -0.420 2.357) 2.657 19.241 ( -1.322 -1.706 -0.760) 2.288 21.472 ( 1.397 -0.205 0.114) 1.417 21.583 ( -0.864 -5.875 -5.203) 7.895 21.881 ( -0.000 0.105 -0.456) 0.468 21.922 ( 1.163 -0.975 -1.738) 2.307 22.141 ( 0.134 2.025 0.386) 2.066 22.160 ( 0.424 3.859 0.148) 3.885 22.170 ( -1.304 1.200 1.420) 2.271 22.260 ( 1.447 -0.006 -0.463) 1.519 23.945 ( -0.649 0.116 -0.534) 0.849 23.947 ( -0.506 0.028 -0.541) 0.741 24.016 ( 0.589 0.176 0.561) 0.832 24.016 ( 0.490 0.133 0.512) 0.721 27.501 ( 2.961 3.206 3.746) 5.751 27.636 ( -2.064 4.648 -2.939) 5.874 27.733 ( 4.045 -3.584 4.073) 6.767 27.808 ( 1.247 2.348 2.107) 3.393 27.889 ( -4.560 1.953 -0.471) 4.983 28.008 ( -2.429 -6.451 -0.641) 6.923 28.286 ( 9.912 4.276 1.294) 10.872 28.471 ( 0.406 -2.346 -9.850) 10.133 31.470 ( 1.015 1.269 1.114) 1.970 31.491 ( 0.440 1.418 0.126) 1.490 31.558 ( 1.415 -1.427 1.256) 2.370 31.578 ( -0.015 -1.094 -0.240) 1.121 31.632 ( 0.932 -0.416 2.874) 3.050 31.667 ( 0.297 -2.517 1.664) 3.032 31.883 ( 1.635 6.444 -2.687) 7.171 32.108 ( -0.200 -3.024 -11.306) 11.705 33.341 ( 0.626 0.666 -1.084) 1.418 33.380 ( 1.410 -0.744 -2.081) 2.622 33.434 ( -0.959 0.357 2.377) 2.588 33.447 ( -1.992 -0.168 1.321) 2.396 36.399 ( 0.555 1.879 0.568) 2.040 36.446 ( 0.001 0.758 -1.854) 2.003 36.487 ( 3.418 -1.562 0.048) 3.758 36.508 ( 0.361 -1.375 -3.282) 3.577 36.578 ( 0.203 0.768 0.341) 0.864 36.654 ( 0.822 2.122 -1.673) 2.824 36.707 ( -0.922 -2.773 2.437) 3.805 36.911 ( -0.029 -4.379 0.231) 4.386 37.032 ( -2.347 3.219 6.091) 7.278 37.323 ( -1.143 -1.268 9.941) 10.087 37.667 ( -2.085 8.496 5.183) 10.168 38.185 ( -7.059 -9.614 -9.696) 15.371 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -15.826 18.004 -4.310) 24.355 1.102 ( -18.737 8.811 8.602) 22.421 1.379 ( 4.800 0.913 5.126) 7.082 1.470 ( -0.137 -7.224 0.559) 7.247 1.523 ( -5.206 -4.784 1.531) 7.234 1.580 ( -8.251 -0.804 -0.118) 8.291 1.631 ( -15.392 2.022 -3.920) 16.011 1.729 ( -5.806 -2.627 5.531) 8.437 1.772 ( -6.201 -2.436 1.315) 6.790 1.876 ( -6.682 3.311 3.352) 8.176 1.880 ( -4.100 0.180 -2.875) 5.011 1.987 ( -2.176 -0.661 2.951) 3.725 2.023 ( -4.660 -0.481 4.149) 6.258 2.114 ( -7.390 0.870 -0.329) 7.448 2.172 ( -1.115 2.402 -4.913) 5.581 2.188 ( -4.242 -1.808 -2.219) 5.118 2.229 ( -3.796 -4.210 2.753) 6.302 2.318 ( 1.814 -5.152 -0.068) 5.462 2.347 ( -3.231 0.730 2.909) 4.409 2.406 ( -6.268 -3.521 -1.872) 7.429 2.452 ( -2.558 2.011 -2.126) 3.887 2.479 ( 2.127 -3.822 -0.609) 4.416 2.542 ( -9.680 -1.955 0.464) 9.887 2.550 ( -6.477 1.802 3.421) 7.543 2.664 ( -0.521 2.734 0.551) 2.837 2.736 ( -2.173 2.989 0.490) 3.728 2.776 ( -1.303 1.376 -2.424) 3.076 2.835 ( -0.249 3.785 2.256) 4.414 2.889 ( -3.386 -2.351 -5.787) 7.105 2.977 ( 0.493 1.662 -1.390) 2.222 3.024 ( 0.688 -2.531 3.653) 4.498 3.100 ( -2.636 0.547 -2.804) 3.887 3.120 ( 0.196 -1.682 2.827) 3.296 3.204 ( 1.630 -0.603 1.957) 2.617 3.240 ( 4.754 -0.256 -2.860) 5.554 3.307 ( 1.619 -6.104 -3.525) 7.232 3.413 ( 4.526 -0.480 3.034) 5.469 3.434 ( -0.116 1.303 -3.757) 3.979 3.462 ( 7.744 -0.206 1.503) 7.891 3.499 ( 2.893 3.146 0.298) 4.284 3.589 ( 5.052 3.291 0.789) 6.081 3.623 ( 5.667 0.518 -1.598) 5.911 3.705 ( 6.778 2.803 0.478) 7.351 3.792 ( 1.488 -2.223 1.416) 3.027 3.808 ( 0.562 -3.011 -0.630) 3.127 3.851 ( 1.864 2.135 -0.254) 2.845 3.920 ( 2.480 -1.042 -1.257) 2.969 3.958 ( 0.748 -6.727 -0.560) 6.792 3.993 ( 3.630 1.246 -3.214) 5.006 4.027 ( -1.553 2.433 1.573) 3.287 4.046 ( -6.243 -0.540 -6.325) 8.904 4.159 ( 2.551 1.598 8.836) 9.335 4.176 ( 3.585 1.545 -1.056) 4.044 4.307 ( 1.513 -2.862 -0.557) 3.285 4.416 ( -1.034 0.880 -3.838) 4.071 4.500 ( 0.784 -1.865 2.037) 2.871 4.556 ( -1.777 2.379 -3.421) 4.530 4.661 ( 0.440 -0.837 0.084) 0.949 4.679 ( 0.824 0.388 0.603) 1.093 4.718 ( -1.695 -2.332 -0.296) 2.899 4.744 ( 3.551 2.401 4.347) 6.105 4.817 ( 1.466 0.062 1.103) 1.836 4.881 ( 3.376 0.499 1.398) 3.688 4.923 ( -1.847 -0.642 -2.234) 2.969 5.475 ( 1.165 2.002 3.539) 4.230 5.507 ( -5.005 -0.036 -7.191) 8.761 5.618 ( 0.526 -2.172 -0.307) 2.256 5.684 ( 0.902 -1.168 -0.084) 1.478 5.738 ( 1.102 1.659 0.293) 2.014 5.806 ( 1.500 -0.240 2.505) 2.929 5.997 ( -0.545 -1.499 2.091) 2.630 6.012 ( -0.002 -1.928 4.816) 5.188 8.164 ( -1.096 0.381 -0.404) 1.229 8.180 ( -1.188 -0.066 1.249) 1.725 8.242 ( 0.316 -0.191 -0.429) 0.566 8.259 ( 0.367 -0.208 -0.419) 0.595 8.506 ( 0.027 0.178 -0.463) 0.497 8.522 ( 0.511 0.130 -0.218) 0.570 8.548 ( -0.419 -0.313 -0.407) 0.663 8.559 ( 0.487 -0.106 -0.237) 0.552 8.606 ( 0.183 -0.952 -0.561) 1.120 8.614 ( 1.650 -1.152 1.232) 2.360 8.637 ( -1.192 0.897 -0.855) 1.719 8.701 ( 1.389 -1.200 -0.038) 1.836 8.972 ( -0.167 0.880 0.461) 1.007 9.003 ( 0.076 -0.133 0.518) 0.540 9.016 ( -0.405 -0.530 -0.981) 1.186 9.033 ( 1.739 -0.840 0.102) 1.934 9.272 ( -0.315 1.820 -0.142) 1.853 9.291 ( 0.057 1.518 0.119) 1.524 9.358 ( 1.275 -0.561 0.182) 1.405 9.397 ( 1.221 -2.077 -1.605) 2.895 10.310 ( -2.094 0.196 -0.349) 2.132 10.341 ( -1.323 -0.853 0.430) 1.632 10.348 ( -1.251 0.718 -0.413) 1.500 10.396 ( -1.166 -0.708 -1.130) 1.771 10.496 ( -0.175 0.122 -0.099) 0.235 10.513 ( 0.020 -0.435 -0.393) 0.587 10.594 ( -0.658 -0.159 0.733) 0.997 10.600 ( -0.164 -0.386 1.055) 1.135 10.875 ( 0.717 0.443 0.524) 0.992 10.883 ( 0.928 0.386 0.041) 1.006 10.917 ( 1.730 1.978 -0.140) 2.631 10.942 ( 1.041 0.839 -0.307) 1.372 13.302 ( -0.287 0.714 0.408) 0.871 13.310 ( -0.003 0.417 0.430) 0.599 13.375 ( -0.117 0.417 -0.109) 0.446 13.379 ( -0.169 0.411 -0.365) 0.575 14.296 ( 0.315 -0.023 0.149) 0.349 14.299 ( 0.483 -0.079 0.334) 0.592 14.363 ( -0.283 -0.149 -0.289) 0.431 14.384 ( -0.032 -1.203 -0.655) 1.370 14.504 ( -1.143 3.051 -1.105) 3.440 14.550 ( 1.021 1.638 0.419) 1.975 14.622 ( 0.161 1.104 1.185) 1.627 14.640 ( 0.524 -0.899 1.542) 1.860 14.782 ( -1.610 3.416 -2.510) 4.534 14.826 ( 1.840 3.636 0.916) 4.176 14.875 ( -0.564 0.449 -0.069) 0.724 14.889 ( -0.556 1.092 0.319) 1.266 15.004 ( 1.064 2.156 -6.749) 7.164 15.017 ( 3.147 -2.674 3.591) 5.472 15.063 ( -0.042 -2.661 0.840) 2.791 15.102 ( 0.387 -1.106 0.498) 1.273 15.137 ( 0.754 0.464 -0.706) 1.133 15.150 ( 0.642 0.046 -0.445) 0.782 15.196 ( 2.703 1.245 2.697) 4.016 15.227 ( 0.444 -0.575 -2.916) 3.005 18.003 ( 0.035 -0.314 -0.727) 0.793 18.006 ( 0.475 -0.547 -0.465) 0.861 18.044 ( -0.344 0.123 0.177) 0.406 18.064 ( -0.409 -0.381 -0.288) 0.628 19.109 ( -1.302 0.370 -0.948) 1.653 19.118 ( -1.548 0.122 -1.256) 1.997 19.208 ( -0.542 -1.930 2.891) 3.518 19.211 ( -1.114 -1.584 1.162) 2.259 21.491 ( -1.601 -3.390 -4.006) 5.487 21.512 ( 0.631 -3.498 -1.781) 3.975 21.884 ( 0.842 1.946 -0.189) 2.129 21.951 ( 3.204 -0.563 -1.341) 3.518 22.132 ( -1.705 1.487 0.235) 2.275 22.157 ( -0.401 0.654 1.221) 1.442 22.193 ( 2.450 5.750 -0.257) 6.255 22.289 ( 1.932 0.248 -0.659) 2.056 23.943 ( 0.460 0.218 0.610) 0.795 23.948 ( 0.499 0.022 0.611) 0.789 24.016 ( -0.530 0.113 -0.596) 0.806 24.017 ( -0.477 0.100 -0.582) 0.759 27.535 ( -3.592 5.333 -4.651) 7.935 27.580 ( 1.280 4.673 2.141) 5.297 27.720 ( -3.284 1.088 -2.588) 4.320 27.846 ( -3.180 -2.235 -0.897) 3.989 27.902 ( 5.066 -0.484 4.184) 6.588 28.041 ( 3.336 -6.285 6.622) 9.720 28.354 ( 4.198 8.733 -14.750) 17.648 28.561 ( 13.170 -0.749 -1.634) 13.292 31.501 ( 0.785 0.885 0.937) 1.509 31.506 ( 1.594 0.899 -0.715) 1.965 31.571 ( 0.389 -0.523 -0.451) 0.792 31.610 ( 1.914 -0.844 0.682) 2.200 31.656 ( -1.111 -1.848 0.527) 2.220 31.722 ( 2.764 -2.689 4.494) 5.922 31.920 ( 4.474 5.871 -2.915) 7.936 32.013 ( 2.499 1.639 -13.064) 13.402 33.340 ( 0.380 0.812 -1.198) 1.496 33.384 ( 0.527 -0.569 -1.917) 2.067 33.411 ( -2.563 0.065 1.289) 2.870 33.432 ( -1.526 -0.435 2.566) 3.017 36.422 ( 0.847 1.082 -0.518) 1.469 36.442 ( 1.694 1.641 -0.877) 2.516 36.488 ( 0.592 -1.068 -2.346) 2.645 36.556 ( 1.485 -3.163 0.757) 3.575 36.595 ( 1.546 0.911 -0.698) 1.925 36.654 ( -0.340 -0.409 0.437) 0.688 36.755 ( 5.628 -0.371 1.882) 5.946 36.901 ( -0.617 -3.987 0.034) 4.035 37.017 ( -5.374 6.145 7.638) 11.179 37.306 ( -4.613 6.361 -1.097) 7.933 37.717 ( -5.807 -10.199 22.381) 25.272 37.903 ( -11.361 -6.933 -11.661) 17.695 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -13.883 18.556 -1.116) 23.201 0.813 ( -20.547 16.276 2.430) 26.325 1.117 ( -19.562 14.045 15.182) 28.468 1.336 ( -5.414 -10.507 -0.888) 11.853 1.469 ( -2.880 1.691 0.183) 3.344 1.498 ( -3.234 -2.870 -5.171) 6.740 1.573 ( -3.899 -1.152 4.649) 6.175 1.636 ( -6.379 -8.465 -4.061) 11.351 1.675 ( -3.599 -2.855 -0.834) 4.669 1.749 ( -9.370 3.656 1.319) 10.144 1.773 ( -0.662 1.251 4.296) 4.524 1.927 ( -5.810 0.352 2.549) 6.354 1.989 ( 1.468 1.544 0.639) 2.224 2.021 ( -0.936 0.568 0.986) 1.474 2.082 ( -1.668 1.342 -1.473) 2.599 2.120 ( -0.597 0.000 -2.939) 2.999 2.191 ( -6.672 -0.238 -3.506) 7.541 2.245 ( -3.856 -4.746 -8.638) 10.583 2.279 ( -5.364 1.386 2.764) 6.191 2.376 ( -1.354 1.084 0.215) 1.748 2.390 ( -0.506 -0.161 -2.101) 2.167 2.445 ( 0.695 -3.433 -0.878) 3.611 2.515 ( 1.138 -3.373 2.322) 4.250 2.547 ( 1.297 -2.680 3.744) 4.783 2.627 ( -2.931 -1.202 -2.520) 4.048 2.671 ( -4.753 -2.418 1.449) 5.526 2.734 ( -0.449 2.262 -0.068) 2.307 2.773 ( -2.127 1.367 4.350) 5.031 2.888 ( 0.898 0.191 2.007) 2.207 2.940 ( -2.239 3.450 1.227) 4.292 3.086 ( 2.994 -2.729 -1.116) 4.202 3.126 ( 3.796 -5.393 0.517) 6.615 3.175 ( 2.035 -5.255 1.764) 5.905 3.231 ( 0.424 -1.118 1.058) 1.597 3.268 ( -0.999 -7.453 1.139) 7.605 3.296 ( -1.310 -3.078 -1.273) 3.579 3.382 ( 0.050 4.532 -0.933) 4.627 3.525 ( 2.663 2.977 -0.772) 4.068 3.554 ( 5.823 1.920 1.251) 6.257 3.569 ( 3.412 7.510 -1.354) 8.359 3.667 ( 1.019 2.804 -3.256) 4.416 3.716 ( -1.584 2.901 -4.734) 5.773 3.746 ( 4.491 -0.973 2.095) 5.051 3.773 ( 0.595 2.818 -3.555) 4.575 3.837 ( 3.415 -1.687 -1.130) 3.973 3.904 ( 3.585 -1.567 -0.633) 3.963 3.920 ( 4.010 -0.416 -5.215) 6.591 3.966 ( -0.521 1.620 -5.618) 5.870 3.971 ( -1.015 0.865 1.132) 1.749 4.007 ( 1.119 0.487 1.871) 2.234 4.092 ( 3.839 -3.263 -0.241) 5.044 4.222 ( -0.478 -1.654 4.175) 4.516 4.288 ( 1.634 -0.325 1.173) 2.037 4.342 ( 1.086 1.949 4.876) 5.362 4.387 ( -0.400 -0.983 2.080) 2.335 4.444 ( -2.503 3.685 -2.844) 5.285 4.510 ( -2.927 0.511 -0.866) 3.095 4.638 ( -2.255 -0.720 0.704) 2.470 4.670 ( 0.116 -1.219 1.294) 1.782 4.690 ( -0.573 -0.546 -0.478) 0.924 4.824 ( 2.026 -1.369 -4.103) 4.777 4.851 ( -0.626 -1.943 -1.200) 2.368 4.981 ( 7.119 0.496 6.389) 9.578 5.003 ( 6.065 0.771 4.986) 7.889 5.324 ( -6.322 0.586 -5.399) 8.335 5.444 ( -5.663 -5.983 -4.080) 9.193 5.606 ( -2.177 1.653 -0.781) 2.843 5.702 ( 0.934 -0.844 0.589) 1.389 5.748 ( 1.305 2.797 -1.184) 3.306 5.857 ( 0.569 -2.558 1.949) 3.266 5.991 ( -1.282 -0.357 0.388) 1.386 6.066 ( -2.073 -6.829 7.945) 10.680 8.145 ( -0.454 0.244 -0.331) 0.612 8.166 ( -1.314 -0.632 0.511) 1.545 8.245 ( 0.540 0.216 -0.071) 0.586 8.259 ( 0.295 -0.190 -0.286) 0.453 8.518 ( 1.063 1.317 0.483) 1.760 8.539 ( 0.883 1.320 0.626) 1.707 8.544 ( -0.275 0.427 -0.191) 0.543 8.573 ( 1.197 0.318 1.801) 2.186 8.601 ( -1.150 0.971 -1.185) 1.915 8.604 ( 0.060 -0.003 0.091) 0.109 8.669 ( 2.228 -1.723 1.077) 3.016 8.716 ( 0.440 -1.848 -0.528) 1.972 8.979 ( 0.310 0.181 0.716) 0.801 8.993 ( -0.841 -0.457 -0.854) 1.283 9.009 ( 0.359 0.402 -0.004) 0.539 9.073 ( 1.925 -2.014 0.083) 2.787 9.266 ( -0.177 2.068 -0.045) 2.076 9.304 ( 1.085 3.375 0.339) 3.561 9.372 ( 0.172 -2.011 -0.866) 2.196 9.406 ( 1.003 -0.704 -0.058) 1.226 10.262 ( -1.743 0.121 -0.844) 1.941 10.299 ( -2.344 -0.847 -1.246) 2.786 10.323 ( -1.412 0.052 0.275) 1.440 10.366 ( -1.121 -0.422 -0.678) 1.377 10.499 ( 0.244 -0.093 0.312) 0.407 10.517 ( 0.130 -0.605 0.987) 1.165 10.586 ( -0.899 0.017 0.741) 1.165 10.601 ( -0.403 -0.521 -0.225) 0.696 10.894 ( 0.539 0.316 0.326) 0.705 10.902 ( 1.070 0.233 -0.057) 1.097 10.947 ( 0.019 0.878 -0.782) 1.176 10.956 ( 2.342 1.348 -1.166) 2.943 13.297 ( -0.376 0.840 -0.092) 0.925 13.312 ( -0.023 0.308 -0.200) 0.368 13.373 ( 0.041 0.327 -0.136) 0.357 13.374 ( -0.137 0.148 0.134) 0.242 14.304 ( 0.220 0.283 -0.069) 0.365 14.324 ( 1.159 -0.304 1.133) 1.649 14.348 ( -0.778 0.021 -0.992) 1.261 14.373 ( 0.019 -1.455 -0.479) 1.532 14.479 ( -0.581 2.525 -0.186) 2.597 14.554 ( -0.371 -0.508 -0.201) 0.660 14.650 ( 2.008 2.455 0.878) 3.291 14.705 ( 2.827 -0.312 3.581) 4.573 14.714 ( -2.506 0.888 -3.227) 4.181 14.755 ( -3.020 -0.904 -6.179) 6.936 14.876 ( -0.132 1.657 0.327) 1.694 14.908 ( 0.028 3.749 1.190) 3.934 15.009 ( 2.747 2.056 -0.935) 3.556 15.024 ( 2.530 4.865 -4.318) 6.979 15.101 ( 0.120 0.261 0.814) 0.863 15.108 ( -0.511 -3.534 1.012) 3.712 15.150 ( 0.758 0.423 -0.558) 1.032 15.166 ( 1.810 -1.384 0.523) 2.337 15.218 ( 1.870 3.003 -3.009) 4.644 15.288 ( 3.143 1.485 1.670) 3.857 18.006 ( 0.376 -0.239 0.190) 0.485 18.011 ( 0.153 -0.461 0.013) 0.486 18.038 ( -0.113 -0.187 -0.524) 0.567 18.050 ( -0.557 -0.254 -0.453) 0.761 19.069 ( -0.925 0.056 -2.374) 2.549 19.076 ( -1.433 -0.675 -1.484) 2.171 19.195 ( -1.256 -0.958 1.769) 2.372 19.217 ( -2.704 -3.705 3.023) 5.493 21.399 ( -1.612 0.658 -1.470) 2.278 21.542 ( 1.025 -5.735 1.348) 5.980 21.914 ( 1.988 4.245 0.609) 4.727 22.007 ( 2.637 -0.433 -1.082) 2.883 22.100 ( -0.805 2.070 -0.419) 2.260 22.156 ( -0.585 0.218 -0.016) 0.624 22.257 ( 5.210 7.146 -2.236) 9.122 22.319 ( 1.914 1.059 -1.074) 2.437 23.970 ( 1.136 0.267 1.169) 1.652 23.973 ( 1.073 0.048 1.319) 1.701 23.990 ( -1.104 0.104 -1.300) 1.708 23.991 ( -1.050 0.045 -1.170) 1.573 27.464 ( -0.150 3.970 -1.009) 4.099 27.585 ( -1.039 7.327 -1.682) 7.589 27.604 ( -3.476 -2.246 -2.316) 4.743 27.800 ( -0.632 3.426 -0.387) 3.505 28.017 ( 2.226 -5.375 3.892) 7.000 28.157 ( 0.530 -6.391 6.439) 9.087 28.366 ( 16.269 26.892 -20.756) 37.665 28.769 ( 9.937 -0.286 -5.551) 11.386 31.520 ( 0.221 0.417 0.759) 0.893 31.530 ( 1.746 0.607 -1.097) 2.149 31.582 ( -1.196 -1.589 -2.052) 2.858 31.584 ( 0.372 -1.046 -1.170) 1.613 31.659 ( 0.085 2.018 0.850) 2.191 31.789 ( -0.273 -4.257 1.268) 4.450 31.984 ( 10.197 11.524 -9.667) 18.172 32.033 ( 6.104 5.094 -2.224) 8.255 33.334 ( -0.387 0.774 -0.776) 1.163 33.348 ( -1.772 1.067 -0.357) 2.099 33.402 ( -0.032 -1.519 0.718) 1.680 33.421 ( -1.717 -1.638 1.790) 2.973 36.416 ( 0.238 0.343 -1.615) 1.668 36.477 ( 0.423 -1.365 0.706) 1.594 36.492 ( 1.470 0.709 -0.655) 1.759 36.566 ( -0.754 -2.571 1.050) 2.878 36.616 ( 1.662 1.079 -0.862) 2.161 36.655 ( 0.168 -1.026 0.945) 1.405 36.880 ( -3.675 5.375 6.846) 9.448 36.912 ( 1.997 1.307 0.787) 2.513 37.054 ( 9.876 -0.414 2.902) 10.302 37.178 ( -3.999 5.767 -4.363) 8.264 37.538 ( -13.794 -5.484 -9.577) 17.665 37.774 ( -18.486 -31.322 26.288) 44.876 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 1.646 -14.516 -4.412) 15.260 0.914 ( 1.646 14.516 -4.412) 15.260 1.024 ( -1.493 -9.213 3.850) 10.096 1.024 ( -1.493 9.213 3.850) 10.096 1.395 ( -0.330 -1.958 -9.000) 9.216 1.395 ( -0.330 1.958 -9.000) 9.216 1.522 ( 3.872 -3.906 2.889) 6.213 1.522 ( 3.872 3.906 2.889) 6.213 1.701 ( -3.764 -6.458 -2.527) 7.891 1.701 ( -3.764 6.458 -2.527) 7.891 1.776 ( -3.302 -4.931 2.889) 6.601 1.776 ( -3.302 4.931 2.889) 6.601 1.904 ( -1.225 -5.695 -2.376) 6.292 1.904 ( -1.225 5.695 -2.376) 6.292 2.062 ( -0.450 -2.809 0.494) 2.887 2.062 ( -0.450 2.809 0.494) 2.887 2.220 ( -1.377 -1.032 -1.795) 2.486 2.220 ( -1.377 1.032 -1.795) 2.486 2.276 ( 1.551 -4.094 1.365) 4.586 2.276 ( 1.551 4.094 1.365) 4.586 2.392 ( 0.559 -0.261 -0.860) 1.059 2.392 ( 0.559 0.261 -0.860) 1.059 2.520 ( -2.371 -1.446 0.018) 2.777 2.520 ( -2.371 1.446 0.018) 2.777 2.606 ( 0.051 -0.207 5.602) 5.606 2.606 ( 0.051 0.207 5.602) 5.606 2.773 ( -1.000 -3.902 3.819) 5.550 2.773 ( -1.000 3.902 3.819) 5.550 2.979 ( 3.355 -2.643 2.658) 5.031 2.979 ( 3.355 2.643 2.658) 5.031 3.072 ( -1.338 -3.779 -0.445) 4.033 3.072 ( -1.338 3.779 -0.445) 4.033 3.195 ( 0.609 -3.690 1.865) 4.179 3.195 ( 0.609 3.690 1.865) 4.179 3.262 ( 3.623 -1.141 5.477) 6.665 3.262 ( 3.623 1.141 5.477) 6.665 3.522 ( 1.280 -4.913 -5.112) 7.205 3.522 ( 1.280 4.913 -5.112) 7.205 3.630 ( -4.132 -2.981 -4.477) 6.783 3.630 ( -4.132 2.981 -4.477) 6.783 3.714 ( 1.004 -3.016 0.191) 3.184 3.714 ( 1.004 3.016 0.191) 3.184 3.789 ( 1.899 -1.733 -0.030) 2.571 3.789 ( 1.899 1.733 -0.030) 2.571 3.852 ( -1.297 -2.631 -2.638) 3.945 3.852 ( -1.297 2.631 -2.638) 3.945 3.946 ( 4.003 -3.711 -2.147) 5.866 3.946 ( 4.003 3.711 -2.147) 5.866 4.055 ( 1.535 -1.759 1.395) 2.720 4.055 ( 1.535 1.759 1.395) 2.720 4.121 ( -2.784 -4.288 -1.859) 5.439 4.121 ( -2.784 4.288 -1.859) 5.439 4.334 ( -1.727 -2.460 3.627) 4.710 4.334 ( -1.727 2.460 3.627) 4.710 4.414 ( -3.405 -2.693 -2.983) 5.267 4.414 ( -3.405 2.693 -2.983) 5.267 4.559 ( 3.358 -6.429 0.797) 7.297 4.559 ( 3.358 6.429 0.797) 7.297 4.693 ( 1.105 -1.467 1.777) 2.555 4.693 ( 1.105 1.467 1.777) 2.555 4.778 ( 0.055 -2.180 -2.387) 3.233 4.778 ( 0.055 2.180 -2.387) 3.233 5.029 ( -6.182 -3.928 -3.527) 8.130 5.029 ( -6.182 3.928 -3.527) 8.130 5.346 ( 7.719 -1.373 5.205) 9.411 5.346 ( 7.719 1.373 5.205) 9.411 5.640 ( -2.008 -4.620 -1.580) 5.280 5.640 ( -2.008 4.620 -1.580) 5.280 5.811 ( -0.954 -1.684 -0.771) 2.084 5.811 ( -0.954 1.684 -0.771) 2.084 5.968 ( -1.926 -0.960 1.305) 2.517 5.968 ( -1.926 0.960 1.305) 2.517 8.143 ( -0.097 -0.115 -0.057) 0.161 8.143 ( -0.097 0.115 -0.057) 0.161 8.258 ( 0.097 -0.288 -0.141) 0.335 8.258 ( 0.097 0.288 -0.141) 0.335 8.547 ( -0.237 -0.806 -0.080) 0.844 8.547 ( -0.237 0.806 -0.080) 0.844 8.599 ( 1.423 -1.616 2.205) 3.082 8.599 ( 1.423 1.616 2.205) 3.082 8.621 ( -1.752 -2.527 -0.418) 3.103 8.621 ( -1.752 2.527 -0.418) 3.103 8.675 ( 0.656 -2.841 1.004) 3.083 8.675 ( 0.656 2.841 1.004) 3.083 8.979 ( 0.091 -0.697 -0.043) 0.704 8.979 ( 0.091 0.697 -0.043) 0.704 9.037 ( -0.251 -1.671 -0.202) 1.701 9.037 ( -0.251 1.671 -0.202) 1.701 9.325 ( 0.161 -2.497 0.430) 2.539 9.325 ( 0.161 2.497 0.430) 2.539 9.387 ( 0.216 -2.298 0.148) 2.313 9.387 ( 0.216 2.298 0.148) 2.313 10.254 ( 0.581 -0.589 0.390) 0.915 10.254 ( 0.581 0.589 0.390) 0.915 10.324 ( 0.060 -1.307 -1.571) 2.045 10.324 ( 0.060 1.307 -1.571) 2.045 10.510 ( -0.150 -0.628 0.873) 1.085 10.510 ( -0.150 0.628 0.873) 1.085 10.577 ( -0.270 -0.295 -0.825) 0.917 10.577 ( -0.270 0.295 -0.825) 0.917 10.904 ( -0.292 -0.522 0.229) 0.641 10.904 ( -0.292 0.522 0.229) 0.641 10.963 ( 0.335 -0.958 -1.556) 1.858 10.963 ( 0.335 0.958 -1.556) 1.858 13.301 ( -0.315 -0.409 -0.765) 0.923 13.301 ( -0.315 0.409 -0.765) 0.923 13.380 ( 0.215 -0.103 0.443) 0.503 13.380 ( 0.215 0.103 0.443) 0.503 14.309 ( -0.551 -0.312 -0.760) 0.989 14.309 ( -0.551 0.312 -0.760) 0.989 14.362 ( 0.778 -0.507 0.596) 1.103 14.362 ( 0.778 0.507 0.596) 1.103 14.522 ( 0.628 -1.802 0.383) 1.946 14.522 ( 0.628 1.802 0.383) 1.946 14.635 ( -2.329 -0.707 -3.696) 4.425 14.635 ( -2.329 0.707 -3.696) 4.425 14.790 ( 3.708 -1.969 3.599) 5.530 14.790 ( 3.708 1.969 3.599) 5.530 14.928 ( -1.011 -3.128 -0.979) 3.430 14.928 ( -1.011 3.128 -0.979) 3.430 15.001 ( -0.417 -3.616 0.361) 3.658 15.001 ( -0.417 3.616 0.361) 3.658 15.114 ( -0.062 -0.531 0.885) 1.034 15.114 ( -0.062 0.531 0.885) 1.034 15.169 ( 0.435 -0.764 -0.075) 0.882 15.169 ( 0.435 0.764 -0.075) 0.882 15.311 ( -0.260 -1.752 -2.481) 3.048 15.311 ( -0.260 1.752 -2.481) 3.048 18.004 ( -0.189 -0.076 0.074) 0.217 18.004 ( -0.189 0.076 0.074) 0.217 18.043 ( 0.796 -0.110 -0.863) 1.179 18.043 ( 0.796 0.110 -0.863) 1.179 19.041 ( 0.895 -0.268 -2.969) 3.113 19.041 ( 0.895 0.268 -2.969) 3.113 19.175 ( -1.197 -0.580 2.635) 2.952 19.175 ( -1.197 0.580 2.635) 2.952 21.468 ( 1.137 -2.496 2.723) 3.865 21.468 ( 1.137 2.496 2.723) 3.865 22.015 ( 0.108 -0.549 0.299) 0.634 22.015 ( 0.108 0.549 0.299) 0.634 22.116 ( -0.469 -1.575 -0.559) 1.736 22.116 ( -0.469 1.575 -0.559) 1.736 22.356 ( 0.815 -0.748 -2.558) 2.787 22.356 ( 0.815 0.748 -2.558) 2.787 23.957 ( -0.927 -0.044 -1.165) 1.490 23.957 ( -0.927 0.044 -1.165) 1.490 24.008 ( 0.915 -0.071 1.187) 1.500 24.008 ( 0.915 0.071 1.187) 1.500 27.560 ( 3.738 -3.768 3.954) 6.619 27.560 ( 3.738 3.768 3.954) 6.619 27.801 ( 0.854 -6.440 -1.445) 6.655 27.801 ( 0.854 6.440 -1.445) 6.655 27.985 ( -4.853 -3.628 4.364) 7.467 27.985 ( -4.853 3.628 4.364) 7.467 28.786 ( 4.836 -3.132 -14.173) 15.299 28.786 ( 4.836 3.132 -14.173) 15.299 31.528 ( 0.038 -0.614 -0.258) 0.667 31.528 ( 0.038 0.614 -0.258) 0.667 31.596 ( 1.077 -0.308 0.889) 1.430 31.596 ( 1.077 0.308 0.889) 1.430 31.686 ( -1.952 -2.343 -1.662) 3.473 31.686 ( -1.952 2.343 -1.662) 3.473 32.226 ( 7.100 -4.783 -6.085) 10.503 32.226 ( 7.100 4.783 -6.085) 10.503 33.324 ( -1.849 -0.948 0.799) 2.226 33.324 ( -1.849 0.948 0.799) 2.226 33.391 ( 0.689 -1.689 0.547) 1.904 33.391 ( 0.689 1.689 0.547) 1.904 36.434 ( 0.613 -1.206 0.396) 1.410 36.434 ( 0.613 1.206 0.396) 1.410 36.524 ( 0.231 -0.969 -0.738) 1.240 36.524 ( 0.231 0.969 -0.738) 1.240 36.673 ( 1.738 -0.520 1.526) 2.370 36.673 ( 1.738 0.520 1.526) 2.370 36.929 ( -10.394 -5.512 5.082) 12.816 36.929 ( -10.394 5.512 5.082) 12.816 37.117 ( -12.164 -3.884 1.761) 12.889 37.117 ( -12.164 3.884 1.761) 12.889 37.313 ( 12.617 -7.505 1.175) 14.728 37.313 ( 12.617 7.505 1.175) 14.728 ======================= Grid point 51 (28/54) ======================= q-point: ( 0.14 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 9.067 -17.534 -2.998) 19.966 0.979 ( 9.067 17.534 -2.998) 19.966 1.193 ( 5.861 -2.835 -1.211) 6.622 1.193 ( 5.861 2.835 -1.211) 6.622 1.331 ( 6.469 -4.282 1.238) 7.856 1.331 ( 6.469 4.282 1.238) 7.856 1.639 ( 7.203 -5.498 -1.688) 9.218 1.639 ( 7.203 5.498 -1.688) 9.218 1.693 ( 5.960 -4.696 -0.359) 7.597 1.693 ( 5.960 4.696 -0.359) 7.597 1.814 ( 8.462 -2.207 -2.259) 9.032 1.814 ( 8.462 2.207 -2.259) 9.032 1.948 ( -0.742 -6.174 3.726) 7.249 1.948 ( -0.742 6.174 3.726) 7.249 2.094 ( -1.099 -5.371 0.748) 5.533 2.094 ( -1.099 5.371 0.748) 5.533 2.134 ( -0.645 -3.596 -2.083) 4.206 2.134 ( -0.645 3.596 -2.083) 4.206 2.339 ( 3.569 -3.165 0.891) 4.853 2.339 ( 3.569 3.165 0.891) 4.853 2.406 ( 2.915 -2.301 -0.634) 3.768 2.406 ( 2.915 2.301 -0.634) 3.768 2.505 ( -0.801 -1.656 3.777) 4.201 2.505 ( -0.801 1.656 3.777) 4.201 2.634 ( 1.032 -0.413 0.802) 1.371 2.634 ( 1.032 0.413 0.802) 1.371 2.810 ( 2.144 -4.513 1.857) 5.330 2.810 ( 2.144 4.513 1.857) 5.330 2.999 ( -2.475 -1.344 -0.234) 2.826 2.999 ( -2.475 1.344 -0.234) 2.826 3.093 ( 1.121 -0.036 4.311) 4.455 3.093 ( 1.121 0.036 4.311) 4.455 3.247 ( -0.356 -2.467 2.484) 3.519 3.247 ( -0.356 2.467 2.484) 3.519 3.351 ( 1.485 -2.748 1.185) 3.341 3.351 ( 1.485 2.748 1.185) 3.341 3.459 ( -1.640 -3.086 -3.779) 5.147 3.459 ( -1.640 3.086 -3.779) 5.147 3.539 ( -2.147 -2.833 -3.366) 4.895 3.539 ( -2.147 2.833 -3.366) 4.895 3.691 ( -4.012 -5.787 1.319) 7.164 3.691 ( -4.012 5.787 1.319) 7.164 3.763 ( -2.137 -5.012 -2.541) 6.012 3.763 ( -2.137 5.012 -2.541) 6.012 3.835 ( -0.783 -2.449 -0.514) 2.622 3.835 ( -0.783 2.449 -0.514) 2.622 3.947 ( -2.213 -1.794 -2.262) 3.638 3.947 ( -2.213 1.794 -2.262) 3.638 3.982 ( -3.998 -2.251 -2.814) 5.382 3.982 ( -3.998 2.251 -2.814) 5.382 4.117 ( 1.193 -4.752 0.332) 4.911 4.117 ( 1.193 4.752 0.332) 4.911 4.276 ( -3.621 -4.125 -4.194) 6.908 4.276 ( -3.621 4.125 -4.194) 6.908 4.382 ( 0.846 -1.584 2.632) 3.186 4.382 ( 0.846 1.584 2.632) 3.186 4.639 ( 2.303 -0.816 1.878) 3.082 4.639 ( 2.303 0.816 1.878) 3.082 4.725 ( -0.051 -1.857 -0.932) 2.079 4.725 ( -0.051 1.857 -0.932) 2.079 4.824 ( 4.545 -5.567 5.749) 9.203 4.824 ( 4.545 5.567 5.749) 9.203 4.897 ( -2.532 -2.125 -3.160) 4.573 4.897 ( -2.532 2.125 -3.160) 4.573 5.516 ( -1.012 -3.749 -1.677) 4.230 5.516 ( -1.012 3.749 -1.677) 4.230 5.584 ( 3.648 -0.796 0.352) 3.751 5.584 ( 3.648 0.796 0.352) 3.751 5.759 ( -2.393 -1.002 -0.579) 2.658 5.759 ( -2.393 1.002 -0.579) 2.658 5.969 ( 0.039 -1.490 1.964) 2.466 5.969 ( 0.039 1.490 1.964) 2.466 8.149 ( 0.772 -0.502 0.062) 0.923 8.149 ( 0.772 0.502 0.062) 0.923 8.255 ( -0.241 -0.367 -0.239) 0.500 8.255 ( -0.241 0.367 -0.239) 0.500 8.545 ( -0.345 -0.270 0.061) 0.442 8.545 ( -0.345 0.270 0.061) 0.442 8.581 ( -1.388 -1.182 0.390) 1.865 8.581 ( -1.388 1.182 0.390) 1.865 8.629 ( -0.669 -1.828 1.645) 2.548 8.629 ( -0.669 1.828 1.645) 2.548 8.679 ( -0.498 -2.130 0.139) 2.192 8.679 ( -0.498 2.130 0.139) 2.192 8.981 ( -0.002 -0.674 -0.213) 0.707 8.981 ( -0.002 0.674 -0.213) 0.707 9.029 ( -0.240 -0.431 0.115) 0.506 9.029 ( -0.240 0.431 0.115) 0.506 9.323 ( -0.693 -1.016 0.255) 1.256 9.323 ( -0.693 1.016 0.255) 1.256 9.382 ( -0.733 -2.013 0.007) 2.142 9.382 ( -0.733 2.013 0.007) 2.142 10.282 ( 1.435 -0.347 -0.036) 1.476 10.282 ( 1.435 0.347 -0.036) 1.476 10.333 ( 2.335 -1.516 -1.122) 3.001 10.333 ( 2.335 1.516 -1.122) 3.001 10.516 ( 0.115 -0.646 0.945) 1.151 10.516 ( 0.115 0.646 0.945) 1.151 10.571 ( 0.152 -0.758 -0.614) 0.987 10.571 ( 0.152 0.758 -0.614) 0.987 10.894 ( -0.902 -0.543 0.270) 1.087 10.894 ( -0.902 0.543 0.270) 1.087 10.951 ( -0.177 -0.281 -1.272) 1.315 10.951 ( -0.177 0.281 -1.272) 1.315 13.293 ( 0.164 -0.088 -0.436) 0.474 13.293 ( 0.164 0.088 -0.436) 0.474 13.387 ( 0.183 -0.185 0.208) 0.333 13.387 ( 0.183 0.185 0.208) 0.333 14.296 ( -0.110 -0.113 -0.158) 0.223 14.296 ( -0.110 0.113 -0.158) 0.223 14.373 ( -0.138 -0.467 -0.121) 0.502 14.373 ( -0.138 0.467 -0.121) 0.502 14.553 ( 0.948 -1.418 0.608) 1.811 14.553 ( 0.948 1.418 0.608) 1.811 14.576 ( -0.204 -1.581 -1.851) 2.443 14.576 ( -0.204 1.581 -1.851) 2.443 14.860 ( -1.267 -1.413 -1.655) 2.518 14.860 ( -1.267 1.413 -1.655) 2.518 14.890 ( 0.898 -0.607 0.896) 1.406 14.890 ( 0.898 0.607 0.896) 1.406 15.004 ( -0.473 -2.395 1.076) 2.668 15.004 ( -0.473 2.395 1.076) 2.668 15.119 ( -0.273 -0.263 0.896) 0.973 15.119 ( -0.273 0.263 0.896) 0.973 15.167 ( -0.467 -0.660 -0.112) 0.816 15.167 ( -0.467 0.660 -0.112) 0.816 15.242 ( -3.651 -3.387 -1.923) 5.338 15.242 ( -3.651 3.387 -1.923) 5.338 18.009 ( 0.601 -0.340 0.293) 0.750 18.009 ( 0.601 0.340 0.293) 0.750 18.048 ( 0.297 -0.135 -0.835) 0.897 18.048 ( 0.297 0.135 -0.835) 0.897 19.050 ( 2.362 -0.351 -2.568) 3.507 19.050 ( 2.362 0.351 -2.568) 3.507 19.188 ( 0.092 -0.993 2.327) 2.531 19.188 ( 0.092 0.993 2.327) 2.531 21.509 ( 0.652 -1.382 1.677) 2.269 21.509 ( 0.652 1.382 1.677) 2.269 21.981 ( -2.848 -2.084 -0.070) 3.530 21.981 ( -2.848 2.084 -0.070) 3.530 22.128 ( 1.406 -1.446 0.241) 2.031 22.128 ( 1.406 1.446 0.241) 2.031 22.321 ( -1.807 -0.679 -1.981) 2.765 22.321 ( -1.807 0.679 -1.981) 2.765 23.941 ( -0.051 -0.077 -0.147) 0.173 23.941 ( -0.051 0.077 -0.147) 0.173 24.024 ( 0.061 -0.087 0.180) 0.209 24.024 ( 0.061 0.087 0.180) 0.209 27.661 ( 0.121 -1.323 0.753) 1.527 27.661 ( 0.121 1.323 0.753) 1.527 27.771 ( 0.558 -2.060 -2.703) 3.444 27.771 ( 0.558 2.060 -2.703) 3.444 27.938 ( -3.893 -8.554 5.988) 11.143 27.938 ( -3.893 8.554 5.988) 11.143 28.663 ( -4.280 -2.423 -10.165) 11.293 28.663 ( -4.280 2.423 -10.165) 11.293 31.523 ( -0.532 -1.596 -0.256) 1.701 31.523 ( -0.532 1.596 -0.256) 1.701 31.589 ( -2.178 -0.662 -1.172) 2.560 31.589 ( -2.178 0.662 -1.172) 2.560 31.649 ( -0.474 -1.670 0.391) 1.779 31.649 ( -0.474 1.670 0.391) 1.779 32.230 ( -1.263 -8.261 -3.845) 9.199 32.230 ( -1.263 8.261 -3.845) 9.199 33.317 ( 0.688 -0.280 -0.194) 0.768 33.317 ( 0.688 0.280 -0.194) 0.768 33.413 ( 0.765 -1.665 0.899) 2.041 33.413 ( 0.765 1.665 0.899) 2.041 36.456 ( 0.490 -2.256 0.106) 2.311 36.456 ( 0.490 2.256 0.106) 2.311 36.534 ( 1.651 -0.386 -0.623) 1.807 36.534 ( 1.651 0.386 -0.623) 1.807 36.689 ( -2.323 -0.913 0.260) 2.509 36.689 ( -2.323 0.913 0.260) 2.509 36.799 ( -5.889 -2.757 3.590) 7.427 36.799 ( -5.889 2.757 3.590) 7.427 36.948 ( -3.393 -0.765 0.870) 3.585 36.948 ( -3.393 0.765 0.870) 3.585 37.636 ( 15.577 -13.955 2.921) 21.117 37.636 ( 15.577 13.955 2.921) 21.117 ======================= Grid point 53 (29/54) ======================= q-point: ( 0.29 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 9.795 -4.473 1.041) 10.818 1.156 ( 9.795 4.473 1.041) 10.818 1.305 ( 12.094 -4.373 -0.636) 12.876 1.305 ( 12.094 4.373 -0.636) 12.876 1.562 ( 7.602 -4.469 2.900) 9.283 1.562 ( 7.602 4.469 2.900) 9.283 1.700 ( -3.568 -2.894 2.857) 5.410 1.700 ( -3.568 2.894 2.857) 5.410 1.805 ( 3.279 -2.585 -0.371) 4.192 1.805 ( 3.279 2.585 -0.371) 4.192 1.959 ( 3.647 -2.233 0.877) 4.365 1.959 ( 3.647 2.233 0.877) 4.365 2.039 ( 3.014 -4.275 -1.419) 5.420 2.039 ( 3.014 4.275 -1.419) 5.420 2.080 ( 6.182 -4.998 -0.375) 7.958 2.080 ( 6.182 4.998 -0.375) 7.958 2.162 ( 10.726 -2.378 -0.817) 11.017 2.162 ( 10.726 2.378 -0.817) 11.017 2.337 ( 0.037 -0.347 -3.944) 3.960 2.337 ( 0.037 0.347 -3.944) 3.960 2.494 ( 0.888 -3.254 3.648) 4.968 2.494 ( 0.888 3.254 3.648) 4.968 2.615 ( 7.623 -3.118 2.313) 8.554 2.615 ( 7.623 3.118 2.313) 8.554 2.700 ( 3.540 -2.686 2.880) 5.296 2.700 ( 3.540 2.686 2.880) 5.296 2.871 ( 1.713 -2.530 0.719) 3.138 2.871 ( 1.713 2.530 0.719) 3.138 2.935 ( -3.588 -4.543 -0.288) 5.796 2.935 ( -3.588 4.543 -0.288) 5.796 3.098 ( -1.569 -4.044 -0.438) 4.359 3.098 ( -1.569 4.044 -0.438) 4.359 3.221 ( -1.623 -1.673 -1.934) 3.029 3.221 ( -1.623 1.673 -1.934) 3.029 3.325 ( -4.148 -0.553 -0.765) 4.255 3.325 ( -4.148 0.553 -0.765) 4.255 3.429 ( 0.630 -2.969 3.463) 4.605 3.429 ( 0.630 2.969 3.463) 4.605 3.458 ( -3.713 -2.737 -2.551) 5.271 3.458 ( -3.713 2.737 -2.551) 5.271 3.581 ( -5.540 -5.621 0.402) 7.903 3.581 ( -5.540 5.621 0.402) 7.903 3.731 ( -5.390 -2.110 -4.483) 7.322 3.731 ( -5.390 2.110 -4.483) 7.322 3.782 ( 3.133 -4.336 -1.288) 5.502 3.782 ( 3.133 4.336 -1.288) 5.502 3.850 ( -4.636 -1.299 -1.259) 4.977 3.850 ( -4.636 1.299 -1.259) 4.977 3.935 ( -0.691 -1.101 0.178) 1.312 3.935 ( -0.691 1.101 0.178) 1.312 4.118 ( -2.141 -0.251 -3.426) 4.048 4.118 ( -2.141 0.251 -3.426) 4.048 4.228 ( 1.779 -4.067 0.323) 4.451 4.228 ( 1.779 4.067 0.323) 4.451 4.434 ( 0.897 -3.534 4.794) 6.023 4.434 ( 0.897 3.534 4.794) 6.023 4.653 ( -2.323 -2.589 -1.021) 3.625 4.653 ( -2.323 2.589 -1.021) 3.625 4.706 ( 0.540 -2.066 -0.204) 2.145 4.706 ( 0.540 2.066 -0.204) 2.145 4.866 ( 1.400 -3.290 -1.437) 3.853 4.866 ( 1.400 3.290 -1.437) 3.853 4.982 ( 2.865 -6.639 6.616) 9.801 4.982 ( 2.865 6.639 6.616) 9.801 5.375 ( -4.339 -3.419 -6.875) 8.820 5.375 ( -4.339 3.419 -6.875) 8.820 5.665 ( 0.163 -0.475 0.769) 0.919 5.665 ( 0.163 0.475 0.769) 0.919 5.756 ( 2.124 -2.166 1.106) 3.229 5.756 ( 2.124 2.166 1.106) 3.229 5.990 ( -0.274 -1.383 2.451) 2.827 5.990 ( -0.274 1.383 2.451) 2.827 8.172 ( 1.405 -0.929 0.249) 1.703 8.172 ( 1.405 0.929 0.249) 1.703 8.243 ( -0.659 -0.239 -0.402) 0.808 8.243 ( -0.659 0.239 -0.402) 0.808 8.534 ( -0.479 -0.641 -0.349) 0.873 8.534 ( -0.479 0.641 -0.349) 0.873 8.566 ( -1.142 -1.480 0.917) 2.082 8.566 ( -1.142 1.480 0.917) 2.082 8.625 ( -0.410 -1.798 0.781) 2.003 8.625 ( -0.410 1.798 0.781) 2.003 8.661 ( -0.850 -1.513 -0.720) 1.879 8.661 ( -0.850 1.513 -0.720) 1.879 8.977 ( -0.091 -0.314 -0.057) 0.332 8.977 ( -0.091 0.314 -0.057) 0.332 9.026 ( -0.298 -0.628 0.017) 0.696 9.026 ( -0.298 0.628 0.017) 0.696 9.310 ( -0.616 -1.701 0.039) 1.809 9.310 ( -0.616 1.701 0.039) 1.809 9.364 ( -0.969 -2.581 -0.199) 2.764 9.364 ( -0.969 2.581 -0.199) 2.764 10.308 ( 1.639 -0.124 -0.326) 1.676 10.308 ( 1.639 0.124 -0.326) 1.676 10.375 ( 2.152 -2.012 -0.520) 2.992 10.375 ( 2.152 2.012 -0.520) 2.992 10.536 ( 0.951 -0.336 0.809) 1.293 10.536 ( 0.951 0.336 0.809) 1.293 10.567 ( -0.126 -1.198 -0.072) 1.207 10.567 ( -0.126 1.198 -0.072) 1.207 10.879 ( -0.995 -0.727 0.608) 1.374 10.879 ( -0.995 0.727 0.608) 1.374 10.934 ( -0.498 -0.379 -0.960) 1.146 10.934 ( -0.498 0.379 -0.960) 1.146 13.299 ( 0.478 -0.121 0.125) 0.509 13.299 ( 0.478 0.121 0.125) 0.509 13.390 ( 0.045 -0.266 -0.111) 0.291 13.390 ( 0.045 0.266 -0.111) 0.291 14.303 ( 0.563 -0.456 0.538) 0.902 14.303 ( 0.563 0.456 0.538) 0.902 14.356 ( -0.874 -0.261 -0.934) 1.305 14.356 ( -0.874 0.261 -0.934) 1.305 14.533 ( -0.279 -1.659 -1.172) 2.050 14.533 ( -0.279 1.659 -1.172) 2.050 14.621 ( 2.158 -0.532 1.874) 2.908 14.621 ( 2.158 0.532 1.874) 2.908 14.772 ( -3.521 -2.336 -3.246) 5.328 14.772 ( -3.521 2.336 -3.246) 5.328 14.933 ( 1.325 -1.552 0.990) 2.268 14.933 ( 1.325 1.552 0.990) 2.268 14.989 ( -1.502 -4.657 0.273) 4.901 14.989 ( -1.502 4.657 0.273) 4.901 15.109 ( -2.158 -0.269 0.853) 2.336 15.109 ( -2.158 0.269 0.853) 2.336 15.151 ( -0.186 -0.759 -0.812) 1.127 15.151 ( -0.186 0.759 -0.812) 1.127 15.187 ( -0.915 -5.399 0.058) 5.477 15.187 ( -0.915 5.399 0.058) 5.477 18.026 ( 0.642 -0.722 -0.143) 0.976 18.026 ( 0.642 0.722 -0.143) 0.976 18.042 ( 0.012 -0.264 -0.311) 0.408 18.042 ( 0.012 0.264 -0.311) 0.408 19.079 ( 2.366 -0.351 -1.398) 2.771 19.079 ( 2.366 0.351 -1.398) 2.771 19.212 ( 0.344 -1.394 1.567) 2.125 19.212 ( 0.344 1.394 1.567) 2.125 21.518 ( -0.059 -3.655 -0.554) 3.698 21.518 ( -0.059 3.655 -0.554) 3.698 21.931 ( -2.005 -1.796 -0.248) 2.703 21.931 ( -2.005 1.796 -0.248) 2.703 22.158 ( 0.882 -0.859 1.003) 1.588 22.158 ( 0.882 0.859 1.003) 1.588 22.267 ( -1.932 -1.704 -1.333) 2.900 22.267 ( -1.932 1.704 -1.333) 2.900 23.953 ( 0.816 -0.079 0.886) 1.207 23.953 ( 0.816 0.079 0.886) 1.207 24.013 ( -0.791 -0.029 -0.854) 1.164 24.013 ( -0.791 0.029 -0.854) 1.164 27.573 ( -3.499 -5.216 -3.269) 7.081 27.573 ( -3.499 5.216 -3.269) 7.081 27.801 ( 1.368 -4.263 -1.319) 4.668 27.801 ( 1.368 4.263 -1.319) 4.668 27.933 ( -2.081 -7.996 5.242) 9.785 27.933 ( -2.081 7.996 5.242) 9.785 28.502 ( -4.671 -8.219 -4.837) 10.620 28.502 ( -4.671 8.219 -4.837) 10.620 31.501 ( -1.282 -1.575 -0.126) 2.035 31.501 ( -1.282 1.575 -0.126) 2.035 31.543 ( -0.937 -1.082 -1.234) 1.889 31.543 ( -0.937 1.082 -1.234) 1.889 31.643 ( -1.182 -1.479 1.378) 2.342 31.643 ( -1.182 1.479 1.378) 2.342 32.151 ( -3.118 -8.818 -2.964) 9.811 32.151 ( -3.118 8.818 -2.964) 9.811 33.334 ( 1.579 -0.690 -1.266) 2.139 33.334 ( 1.579 0.690 -1.266) 2.139 33.434 ( 0.267 -1.381 1.332) 1.937 33.434 ( 0.267 1.381 1.332) 1.937 36.447 ( -0.861 -2.839 -0.464) 3.003 36.447 ( -0.861 2.839 -0.464) 3.003 36.543 ( -1.136 -1.389 -0.642) 1.905 36.543 ( -1.136 1.389 -0.642) 1.905 36.632 ( -1.752 -1.668 -0.197) 2.427 36.632 ( -1.752 1.668 -0.197) 2.427 36.757 ( 0.161 -4.222 -0.986) 4.338 36.757 ( 0.161 4.222 -0.986) 4.338 36.989 ( 2.138 -3.900 6.397) 7.791 36.989 ( 2.138 3.900 6.397) 7.791 37.905 ( 9.627 -17.419 0.916) 19.924 37.905 ( 9.627 17.419 0.916) 19.924 ======================= Grid point 55 (30/54) ======================= q-point: ( 0.43 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 2.966 -2.005 2.234) 4.220 1.339 ( 2.966 2.005 2.234) 4.220 1.537 ( 7.496 -7.925 2.258) 11.140 1.537 ( 7.496 7.925 2.258) 11.140 1.615 ( -0.388 -5.233 5.460) 7.573 1.615 ( -0.388 5.233 5.460) 7.573 1.698 ( 5.082 -4.059 -3.689) 7.477 1.698 ( 5.082 4.059 -3.689) 7.477 1.813 ( -3.102 -2.027 1.393) 3.958 1.813 ( -3.102 2.027 1.393) 3.958 1.940 ( -2.248 -7.542 -3.040) 8.436 1.940 ( -2.248 7.542 -3.040) 8.436 2.014 ( -2.172 -3.900 1.741) 4.792 2.014 ( -2.172 3.900 1.741) 4.792 2.218 ( 2.166 -1.973 1.009) 3.099 2.218 ( 2.166 1.973 1.009) 3.099 2.329 ( 3.883 -3.769 0.794) 5.469 2.329 ( 3.883 3.769 0.794) 5.469 2.452 ( 11.518 -7.125 -1.389) 13.615 2.452 ( 11.518 7.125 -1.389) 13.615 2.554 ( 3.207 -3.429 0.688) 4.745 2.554 ( 3.207 3.429 0.688) 4.745 2.732 ( 2.194 -1.934 0.980) 3.085 2.732 ( 2.194 1.934 0.980) 3.085 2.771 ( 0.824 -3.362 1.759) 3.882 2.771 ( 0.824 3.362 1.759) 3.882 2.838 ( -0.473 -1.890 0.141) 1.954 2.838 ( -0.473 1.890 0.141) 1.954 2.852 ( -5.597 -2.964 -0.035) 6.333 2.852 ( -5.597 2.964 -0.035) 6.333 3.094 ( -4.031 -2.933 -0.223) 4.990 3.094 ( -4.031 2.933 -0.223) 4.990 3.172 ( 3.188 -1.825 -1.314) 3.901 3.172 ( 3.188 1.825 -1.314) 3.901 3.266 ( -0.026 -1.209 -3.035) 3.268 3.266 ( -0.026 1.209 -3.035) 3.268 3.376 ( -4.417 -2.207 -0.359) 4.950 3.376 ( -4.417 2.207 -0.359) 4.950 3.446 ( -2.455 -2.424 -0.980) 3.586 3.446 ( -2.455 2.424 -0.980) 3.586 3.528 ( -1.340 -7.600 2.624) 8.152 3.528 ( -1.340 7.600 2.624) 8.152 3.664 ( 0.472 -2.339 -0.550) 2.448 3.664 ( 0.472 2.339 -0.550) 2.448 3.761 ( 1.869 -2.206 1.756) 3.383 3.761 ( 1.869 2.206 1.756) 3.383 3.821 ( 0.278 -3.820 -3.562) 5.231 3.821 ( 0.278 3.820 -3.562) 5.231 3.976 ( 2.087 -6.423 3.065) 7.416 3.976 ( 2.087 6.423 3.065) 7.416 4.026 ( -2.898 -1.390 1.371) 3.494 4.026 ( -2.898 1.390 1.371) 3.494 4.253 ( 1.401 -3.592 -4.507) 5.931 4.253 ( 1.401 3.592 -4.507) 5.931 4.472 ( -2.131 -4.802 2.811) 5.958 4.472 ( -2.131 4.802 2.811) 5.958 4.603 ( -0.431 -1.991 -0.604) 2.125 4.603 ( -0.431 1.991 -0.604) 2.125 4.706 ( -0.685 -1.336 0.264) 1.525 4.706 ( -0.685 1.336 0.264) 1.525 4.886 ( 0.537 -4.077 -1.998) 4.571 4.886 ( 0.537 4.077 -1.998) 4.571 4.984 ( -2.941 -4.582 -3.637) 6.548 4.984 ( -2.941 4.582 -3.637) 6.548 5.337 ( 2.512 -1.966 3.994) 5.111 5.337 ( 2.512 1.966 3.994) 5.111 5.653 ( -0.572 -1.374 -0.945) 1.763 5.653 ( -0.572 1.375 -0.945) 1.763 5.799 ( 0.905 -1.843 0.375) 2.087 5.799 ( 0.905 1.843 0.375) 2.087 5.991 ( -1.438 -0.838 1.477) 2.225 5.991 ( -1.438 0.838 1.477) 2.225 8.203 ( 1.159 -0.777 0.463) 1.470 8.203 ( 1.159 0.777 0.463) 1.470 8.225 ( -0.624 -0.773 -0.260) 1.027 8.225 ( -0.624 0.773 -0.260) 1.027 8.520 ( -0.244 -0.132 -0.779) 0.827 8.520 ( -0.244 0.132 -0.779) 0.827 8.555 ( -0.804 -0.785 0.226) 1.146 8.555 ( -0.804 0.785 0.226) 1.146 8.614 ( -0.655 -0.394 -0.866) 1.155 8.614 ( -0.655 0.394 -0.866) 1.155 8.653 ( 0.295 -1.025 0.449) 1.157 8.653 ( 0.295 1.025 0.449) 1.157 8.978 ( 0.030 -0.145 0.407) 0.433 8.978 ( 0.030 0.145 0.407) 0.433 9.020 ( -0.137 -0.637 -0.238) 0.693 9.020 ( -0.137 0.637 -0.238) 0.693 9.303 ( -0.211 -1.410 -0.061) 1.427 9.303 ( -0.211 1.410 -0.061) 1.427 9.347 ( -0.376 -1.801 -0.232) 1.854 9.347 ( -0.376 1.801 -0.232) 1.854 10.336 ( 1.027 -0.185 0.279) 1.080 10.336 ( 1.027 0.185 0.279) 1.080 10.397 ( 0.692 -1.701 -0.739) 1.980 10.397 ( 0.692 1.701 -0.739) 1.980 10.540 ( -0.282 -0.916 -1.323) 1.633 10.540 ( -0.282 0.916 -1.323) 1.633 10.579 ( 0.297 -0.434 1.461) 1.553 10.579 ( 0.297 0.434 1.461) 1.553 10.868 ( -0.698 -0.967 0.588) 1.330 10.868 ( -0.698 0.967 0.588) 1.330 10.922 ( 0.076 -0.092 -0.417) 0.434 10.922 ( 0.076 0.092 -0.417) 0.434 13.309 ( 0.195 -0.048 0.383) 0.432 13.309 ( 0.195 0.048 0.383) 0.432 13.389 ( 0.048 -0.429 -0.218) 0.484 13.389 ( 0.048 0.429 -0.218) 0.484 14.312 ( -0.259 -0.656 -0.483) 0.855 14.312 ( -0.259 0.656 -0.483) 0.855 14.343 ( 0.363 -0.332 0.416) 0.645 14.343 ( 0.363 0.332 0.416) 0.645 14.535 ( 0.626 -1.587 0.579) 1.802 14.535 ( 0.626 1.587 0.579) 1.802 14.658 ( -0.609 -2.049 -0.064) 2.138 14.658 ( -0.609 2.049 -0.064) 2.138 14.717 ( 0.972 -0.806 0.985) 1.601 14.717 ( 0.972 0.806 0.985) 1.601 14.948 ( -0.233 -3.887 -0.298) 3.906 14.948 ( -0.233 3.887 -0.298) 3.906 14.975 ( -0.076 -5.067 0.496) 5.091 14.975 ( -0.076 5.067 0.496) 5.091 15.063 ( -2.148 -1.486 -0.322) 2.632 15.063 ( -2.148 1.486 -0.322) 2.632 15.150 ( 0.252 -0.829 -0.360) 0.938 15.150 ( 0.252 0.829 -0.360) 0.938 15.182 ( -0.023 -4.268 0.049) 4.268 15.182 ( -0.023 4.268 0.049) 4.268 18.019 ( -0.096 -0.622 -1.496) 1.623 18.019 ( -0.096 0.622 -1.496) 1.623 18.051 ( 0.236 -0.648 0.663) 0.957 18.051 ( 0.236 0.648 0.663) 0.957 19.111 ( 1.574 -0.256 -0.142) 1.601 19.111 ( 1.574 0.256 -0.142) 1.601 19.221 ( -0.545 -1.746 0.528) 1.904 19.221 ( -0.545 1.746 0.528) 1.904 21.507 ( 0.084 -4.111 -1.640) 4.427 21.507 ( 0.084 4.111 -1.640) 4.427 21.901 ( -0.680 -1.300 -0.621) 1.594 21.901 ( -0.680 1.300 -0.621) 1.594 22.174 ( -0.248 -0.940 1.028) 1.415 22.174 ( -0.248 0.940 1.028) 1.415 22.233 ( -0.311 -2.230 -0.907) 2.427 22.233 ( -0.311 2.230 -0.907) 2.427 23.969 ( -0.531 -0.085 -0.385) 0.662 23.969 ( -0.531 0.085 -0.385) 0.662 23.997 ( 0.523 -0.091 0.377) 0.651 23.997 ( 0.523 0.091 0.377) 0.651 27.534 ( 0.580 -5.321 1.271) 5.501 27.534 ( 0.580 5.321 1.271) 5.501 27.793 ( 0.185 -5.969 -2.417) 6.442 27.793 ( 0.185 5.969 -2.417) 6.442 27.940 ( -1.444 -4.710 3.302) 5.930 27.940 ( -1.444 4.710 3.302) 5.930 28.403 ( -1.656 -10.373 -3.649) 11.120 28.403 ( -1.656 10.373 -3.649) 11.120 31.490 ( 0.072 -2.090 0.592) 2.173 31.490 ( 0.072 2.090 0.592) 2.173 31.527 ( -0.210 -1.922 0.133) 1.938 31.527 ( -0.210 1.922 0.133) 1.938 31.633 ( -0.867 -0.477 1.176) 1.537 31.633 ( -0.867 0.477 1.176) 1.537 32.070 ( -1.602 -8.060 -4.492) 9.365 32.070 ( -1.602 8.060 -4.492) 9.365 33.350 ( 1.419 -0.896 -1.614) 2.328 33.350 ( 1.419 0.896 -1.614) 2.328 33.445 ( -0.497 -0.977 1.649) 1.980 33.445 ( -0.497 0.977 1.649) 1.980 36.431 ( 0.012 -1.815 -0.490) 1.880 36.431 ( 0.012 1.815 -0.490) 1.880 36.501 ( -1.411 -1.678 -1.493) 2.652 36.501 ( -1.411 1.678 -1.493) 2.652 36.617 ( -0.772 -2.703 1.146) 3.036 36.617 ( -0.772 2.703 1.146) 3.036 36.767 ( 2.165 -5.942 -3.296) 7.132 36.767 ( 2.165 5.942 -3.296) 7.132 37.098 ( 0.506 -6.186 10.980) 12.613 37.098 ( 0.506 6.186 10.980) 12.613 38.005 ( 1.894 -17.264 -3.406) 17.698 38.005 ( 1.894 17.264 -3.406) 17.698 ======================= Grid point 57 (31/54) ======================= q-point: (-0.43 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.898 -3.087 2.658) 4.494 1.319 ( -1.898 3.087 2.658) 4.494 1.514 ( -10.564 -5.686 0.803) 12.024 1.514 ( -10.564 5.686 0.803) 12.024 1.620 ( -7.207 -9.735 -1.533) 12.209 1.620 ( -7.207 9.735 -1.533) 12.209 1.774 ( 5.668 -3.538 6.231) 9.136 1.774 ( 5.668 3.538 6.231) 9.136 1.802 ( -1.763 -5.481 -1.121) 5.865 1.802 ( -1.763 5.481 -1.121) 5.865 1.931 ( 0.896 -3.496 -0.585) 3.656 1.931 ( 0.896 3.496 -0.585) 3.656 2.008 ( 2.506 -4.322 1.689) 5.274 2.008 ( 2.506 4.322 1.689) 5.274 2.222 ( -2.605 -5.100 1.918) 6.040 2.222 ( -2.605 5.100 1.918) 6.040 2.367 ( -2.237 -2.855 0.814) 3.717 2.367 ( -2.237 2.855 0.814) 3.717 2.471 ( -3.845 -5.530 -2.711) 7.260 2.471 ( -3.845 5.530 -2.711) 7.260 2.555 ( -6.960 -1.702 -1.608) 7.344 2.555 ( -6.960 1.702 -1.608) 7.344 2.681 ( -6.674 -4.216 1.200) 7.985 2.681 ( -6.674 4.216 1.200) 7.985 2.754 ( -1.550 -3.576 2.761) 4.776 2.754 ( -1.550 3.576 2.761) 4.776 2.817 ( 1.734 -2.171 -2.342) 3.634 2.817 ( 1.734 2.171 -2.342) 3.634 2.911 ( 2.450 -2.786 2.968) 4.751 2.911 ( 2.450 2.786 2.968) 4.751 3.094 ( 2.518 -0.933 0.439) 2.721 3.094 ( 2.518 0.933 0.439) 2.721 3.166 ( 1.250 -3.104 -4.137) 5.321 3.166 ( 1.250 3.104 -4.137) 5.321 3.255 ( -0.615 -4.149 1.563) 4.476 3.255 ( -0.615 4.149 1.563) 4.476 3.315 ( 0.648 -2.350 -4.197) 4.854 3.315 ( 0.648 2.350 -4.197) 4.854 3.446 ( 2.070 -1.391 -0.367) 2.521 3.446 ( 2.070 1.391 -0.367) 2.521 3.515 ( 1.182 -6.041 2.821) 6.771 3.515 ( 1.182 6.041 2.821) 6.771 3.698 ( 4.827 -4.809 -1.229) 6.924 3.698 ( 4.827 4.809 -1.229) 6.924 3.759 ( -1.617 -6.744 -2.846) 7.497 3.759 ( -1.617 6.744 -2.846) 7.497 3.879 ( 1.897 -3.345 4.304) 5.771 3.879 ( 1.897 3.345 4.304) 5.771 4.022 ( 2.207 -7.343 3.389) 8.383 4.022 ( 2.207 7.343 3.389) 8.383 4.110 ( 2.665 -1.756 1.884) 3.706 4.110 ( 2.665 1.756 1.884) 3.706 4.212 ( 0.934 -3.808 -4.313) 5.829 4.212 ( 0.934 3.808 -4.313) 5.829 4.410 ( -2.688 -4.584 0.517) 5.339 4.410 ( -2.688 4.584 0.517) 5.339 4.633 ( 2.369 -0.764 1.067) 2.708 4.633 ( 2.369 0.764 1.067) 2.708 4.697 ( -0.325 -0.657 -0.849) 1.122 4.697 ( -0.325 0.657 -0.849) 1.122 4.802 ( -2.912 -3.930 -5.643) 7.468 4.802 ( -2.912 3.930 -5.643) 7.468 4.930 ( -1.008 -3.828 -1.346) 4.181 4.930 ( -1.008 3.828 -1.346) 4.181 5.469 ( 4.604 -5.063 6.028) 9.120 5.469 ( 4.604 5.063 6.028) 9.120 5.623 ( -1.136 -0.556 -2.536) 2.834 5.623 ( -1.136 0.556 -2.536) 2.834 5.796 ( -0.983 -1.454 0.120) 1.759 5.796 ( -0.983 1.454 0.120) 1.759 5.975 ( -0.956 -0.479 1.201) 1.608 5.975 ( -0.956 0.479 1.201) 1.608 8.197 ( -1.293 -0.220 0.243) 1.334 8.197 ( -1.293 0.220 0.243) 1.334 8.238 ( 1.007 -0.887 0.119) 1.347 8.238 ( 1.007 0.887 0.119) 1.347 8.514 ( 0.350 -0.355 -1.117) 1.223 8.514 ( 0.350 0.355 -1.117) 1.223 8.541 ( -0.207 -0.220 -0.101) 0.318 8.541 ( -0.207 0.220 -0.101) 0.318 8.599 ( -0.201 -0.355 -0.621) 0.743 8.599 ( -0.201 0.355 -0.621) 0.743 8.666 ( 0.337 -0.619 0.334) 0.780 8.666 ( 0.337 0.619 0.334) 0.780 8.985 ( 0.130 -0.449 0.648) 0.799 8.985 ( 0.130 0.449 0.648) 0.799 9.017 ( 0.080 -0.348 -0.403) 0.538 9.017 ( 0.080 0.348 -0.403) 0.538 9.300 ( 0.122 -0.698 -0.073) 0.712 9.300 ( 0.122 0.698 -0.073) 0.712 9.347 ( 0.485 -1.267 -0.288) 1.387 9.347 ( 0.485 1.267 -0.288) 1.387 10.345 ( -0.604 -0.365 0.534) 0.885 10.345 ( -0.604 0.365 0.534) 0.885 10.392 ( -0.297 -1.529 -0.898) 1.798 10.392 ( -0.297 1.529 -0.898) 1.798 10.518 ( -0.678 -0.409 -1.019) 1.290 10.518 ( -0.678 0.409 -1.019) 1.290 10.590 ( -0.161 -0.218 0.930) 0.969 10.590 ( -0.161 0.218 0.930) 0.969 10.866 ( 0.143 -0.521 0.455) 0.706 10.866 ( 0.143 0.521 0.455) 0.706 10.930 ( 0.917 -0.469 -0.136) 1.039 10.930 ( 0.917 0.469 -0.136) 1.039 13.313 ( -0.177 -0.107 0.484) 0.527 13.313 ( -0.177 0.107 0.484) 0.527 13.387 ( -0.015 -0.319 -0.274) 0.421 13.387 ( -0.015 0.319 -0.274) 0.421 14.297 ( -0.338 -0.224 -0.513) 0.654 14.297 ( -0.338 0.224 -0.513) 0.654 14.362 ( 0.633 -0.410 0.521) 0.916 14.362 ( 0.633 0.410 0.521) 0.916 14.556 ( 0.600 -0.749 0.607) 1.136 14.556 ( 0.600 0.749 0.607) 1.136 14.629 ( -1.254 -0.982 0.047) 1.594 14.629 ( -1.254 0.982 0.047) 1.594 14.799 ( 3.783 -1.820 3.849) 5.696 14.799 ( 3.783 1.820 3.849) 5.696 14.926 ( -1.480 -1.848 -1.794) 2.970 14.926 ( -1.480 1.848 -1.794) 2.970 14.974 ( -0.263 -5.253 0.579) 5.291 14.974 ( -0.263 5.253 0.579) 5.291 15.044 ( 1.078 -0.639 -1.164) 1.710 15.044 ( 1.078 0.639 -1.164) 1.710 15.150 ( 0.035 -0.679 -0.301) 0.743 15.150 ( 0.035 0.679 -0.301) 0.743 15.186 ( 0.450 -3.110 0.096) 3.144 15.186 ( 0.450 3.110 0.096) 3.144 18.005 ( 0.034 -0.361 -1.321) 1.369 18.005 ( 0.034 0.361 -1.321) 1.369 18.056 ( -0.104 -0.642 0.254) 0.698 18.056 ( -0.104 0.642 0.254) 0.698 19.134 ( 0.485 -0.720 0.289) 0.915 19.134 ( 0.485 0.720 0.289) 0.915 19.202 ( -1.514 -1.665 0.174) 2.257 19.202 ( -1.514 1.665 0.174) 2.257 21.491 ( -0.146 -2.549 -2.014) 3.252 21.491 ( -0.146 2.549 -2.014) 3.252 21.896 ( 0.846 -1.185 -0.756) 1.640 21.896 ( 0.846 1.185 -0.756) 1.640 22.169 ( -0.904 -0.640 0.719) 1.320 22.169 ( -0.904 0.640 0.719) 1.320 22.241 ( 1.550 -2.277 -0.571) 2.813 22.241 ( 1.550 2.277 -0.571) 2.813 23.947 ( -0.556 -0.056 -0.496) 0.747 23.947 ( -0.556 0.056 -0.496) 0.747 24.018 ( 0.520 -0.011 0.472) 0.703 24.018 ( 0.520 0.011 0.472) 0.703 27.603 ( 3.198 -6.161 4.027) 8.025 27.603 ( 3.198 6.161 4.027) 8.025 27.768 ( -0.238 -6.585 -3.801) 7.607 27.768 ( -0.238 6.585 -3.801) 7.607 27.933 ( -1.984 -3.202 2.878) 4.740 27.933 ( -1.984 3.202 2.878) 4.740 28.388 ( 4.346 -5.170 -4.141) 7.922 28.388 ( 4.346 5.170 -4.141) 7.922 31.502 ( 0.270 -1.352 0.794) 1.591 31.502 ( 0.270 1.352 0.794) 1.591 31.546 ( 1.846 -1.402 0.491) 2.369 31.546 ( 1.846 1.402 0.491) 2.369 31.635 ( -0.263 -0.763 1.978) 2.136 31.635 ( -0.263 0.763 1.978) 2.136 32.014 ( 1.037 -5.804 -6.369) 8.680 32.014 ( 1.037 5.804 -6.369) 8.680 33.360 ( 1.108 -1.060 -1.705) 2.293 33.360 ( 1.108 1.060 -1.705) 2.293 33.442 ( -1.517 -0.350 1.838) 2.409 33.442 ( -1.517 0.350 1.838) 2.409 36.446 ( 1.579 -2.369 0.182) 2.853 36.446 ( 1.579 2.369 0.182) 2.853 36.471 ( 0.132 -1.707 -2.136) 2.738 36.471 ( 0.132 1.707 -2.136) 2.738 36.616 ( -0.298 -2.703 0.945) 2.879 36.616 ( -0.298 2.703 0.945) 2.879 36.773 ( 1.571 -6.142 -2.863) 6.956 36.773 ( 1.571 6.142 -2.863) 6.956 37.190 ( -2.966 -8.771 14.250) 16.994 37.190 ( -2.966 8.771 14.250) 16.994 37.928 ( -4.719 -14.103 -6.718) 16.319 37.928 ( -4.719 14.103 -6.718) 16.319 ======================= Grid point 59 (32/54) ======================= q-point: (-0.29 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -11.848 -9.180 -3.266) 15.340 1.251 ( -11.848 9.180 -3.266) 15.340 1.358 ( -4.234 -9.792 3.235) 11.147 1.358 ( -4.234 9.792 3.235) 11.147 1.515 ( -2.834 -8.445 10.721) 13.939 1.515 ( -2.834 8.445 10.721) 13.939 1.671 ( -7.319 -5.871 -2.793) 9.789 1.671 ( -7.319 5.871 -2.793) 9.789 1.760 ( -8.970 -7.273 -5.280) 12.698 1.760 ( -8.970 7.273 -5.280) 12.698 1.979 ( -1.928 -4.169 1.905) 4.973 1.979 ( -1.928 4.169 1.905) 4.973 2.048 ( 0.334 -7.338 5.639) 9.261 2.048 ( 0.334 7.338 5.639) 9.261 2.198 ( -3.199 -4.503 0.075) 5.524 2.198 ( -3.199 4.503 0.075) 5.524 2.231 ( -5.264 -2.490 -4.200) 7.180 2.231 ( -5.264 2.490 -4.200) 7.180 2.366 ( -3.238 -5.443 2.847) 6.944 2.366 ( -3.238 5.443 2.847) 6.944 2.459 ( -1.733 -3.659 -1.219) 4.229 2.459 ( -1.733 3.659 -1.219) 4.229 2.525 ( -9.963 -1.488 3.911) 10.806 2.525 ( -9.963 1.488 3.911) 10.806 2.755 ( -4.059 -4.047 -0.137) 5.734 2.755 ( -4.059 4.047 -0.137) 5.734 2.784 ( -2.421 -1.622 -0.309) 2.930 2.784 ( -2.421 1.622 -0.309) 2.930 2.948 ( 2.203 -4.444 -0.479) 4.983 2.948 ( 2.203 4.444 -0.479) 4.983 3.068 ( -3.691 -2.818 1.930) 5.029 3.068 ( -3.691 2.818 1.930) 5.029 3.133 ( -2.182 -4.270 -4.925) 6.874 3.133 ( -2.182 4.270 -4.925) 6.874 3.241 ( 4.102 -0.902 -3.813) 5.673 3.241 ( 4.102 0.902 -3.813) 5.673 3.426 ( 6.564 -1.954 0.696) 6.884 3.426 ( 6.564 1.954 0.696) 6.884 3.532 ( 7.720 -4.992 0.227) 9.196 3.532 ( 7.720 4.992 0.227) 9.196 3.649 ( 2.080 -6.161 1.551) 6.685 3.649 ( 2.080 6.161 1.551) 6.685 3.708 ( 3.325 -6.042 0.242) 6.900 3.708 ( 3.325 6.042 0.242) 6.900 3.792 ( 5.087 -3.591 -0.957) 6.299 3.792 ( 5.086 3.591 -0.957) 6.299 3.916 ( 0.769 -2.368 -0.948) 2.664 3.916 ( 0.769 2.368 -0.948) 2.664 4.013 ( -3.713 -0.797 -3.735) 5.326 4.013 ( -3.713 0.797 -3.735) 5.326 4.121 ( 2.215 -3.663 1.858) 4.666 4.121 ( 2.215 3.663 1.858) 4.666 4.250 ( 2.235 -3.268 1.271) 4.158 4.250 ( 2.235 3.268 1.271) 4.158 4.445 ( 1.093 -2.465 4.110) 4.915 4.445 ( 1.093 2.465 4.110) 4.915 4.628 ( -1.761 -4.208 -6.756) 8.152 4.628 ( -1.761 4.208 -6.756) 8.152 4.677 ( -0.156 -0.527 1.395) 1.499 4.677 ( -0.156 0.527 1.395) 1.499 4.800 ( 3.202 -2.137 3.200) 5.006 4.800 ( 3.202 2.137 3.200) 5.006 4.897 ( -0.289 -1.413 -1.115) 1.823 4.897 ( -0.289 1.413 -1.115) 1.823 5.505 ( -3.576 -0.778 -4.102) 5.497 5.505 ( -3.576 0.778 -4.102) 5.497 5.625 ( 2.691 -3.066 1.780) 4.451 5.625 ( 2.691 3.066 1.780) 4.451 5.785 ( -0.512 -2.023 1.378) 2.500 5.785 ( -0.512 2.023 1.378) 2.500 5.984 ( -0.060 -0.596 2.787) 2.851 5.984 ( -0.060 0.596 2.787) 2.851 8.174 ( -1.348 -0.505 0.305) 1.472 8.174 ( -1.348 0.505 0.305) 1.472 8.248 ( 0.308 -0.614 -0.374) 0.782 8.248 ( 0.308 0.614 -0.374) 0.782 8.517 ( 0.916 -0.618 -0.489) 1.209 8.517 ( 0.916 0.618 -0.489) 1.209 8.550 ( 0.993 -0.643 0.126) 1.189 8.550 ( 0.993 0.643 0.126) 1.189 8.596 ( 0.229 -0.396 0.114) 0.471 8.596 ( 0.229 0.396 0.114) 0.471 8.668 ( -0.060 -1.800 -0.314) 1.828 8.668 ( -0.060 1.800 -0.314) 1.828 8.992 ( -0.135 -0.920 0.483) 1.047 8.992 ( -0.135 0.920 0.483) 1.047 9.015 ( 0.376 -0.576 -0.428) 0.810 9.015 ( 0.376 0.576 -0.428) 0.810 9.307 ( 0.503 -0.938 -0.029) 1.065 9.307 ( 0.503 0.938 -0.029) 1.065 9.358 ( 0.907 -1.276 -0.346) 1.604 9.358 ( 0.907 1.276 -0.346) 1.604 10.321 ( -2.122 -0.847 0.091) 2.287 10.321 ( -2.122 0.847 0.091) 2.287 10.373 ( -0.894 -1.356 -0.736) 1.783 10.373 ( -0.894 1.356 -0.736) 1.783 10.503 ( -0.324 -0.507 -0.068) 0.606 10.503 ( -0.324 0.507 -0.068) 0.606 10.594 ( -0.188 -0.192 0.660) 0.713 10.594 ( -0.188 0.192 0.660) 0.713 10.882 ( 0.828 -0.264 0.570) 1.039 10.882 ( 0.828 0.264 0.570) 1.039 10.949 ( 1.201 -0.528 -0.524) 1.413 10.949 ( 1.201 0.528 -0.524) 1.413 13.313 ( -0.195 -0.236 0.501) 0.587 13.313 ( -0.195 0.236 0.501) 0.587 13.382 ( -0.219 -0.130 -0.334) 0.420 13.382 ( -0.219 0.130 -0.334) 0.420 14.297 ( 0.439 -0.095 0.301) 0.541 14.297 ( 0.439 0.095 0.301) 0.541 14.366 ( -0.159 -0.471 -0.567) 0.754 14.366 ( -0.159 0.471 -0.567) 0.754 14.554 ( -0.846 -1.351 -0.678) 1.732 14.554 ( -0.846 1.351 -0.678) 1.732 14.631 ( 0.687 -0.207 2.079) 2.199 14.631 ( 0.687 0.207 2.079) 2.199 14.840 ( -2.409 -1.551 -4.190) 5.076 14.840 ( -2.409 1.551 -4.190) 5.076 14.908 ( 1.597 -1.407 2.441) 3.239 14.908 ( 1.597 1.407 2.441) 3.239 14.987 ( 0.723 -2.077 1.280) 2.545 14.987 ( 0.723 2.077 1.280) 2.545 15.071 ( 2.250 -2.277 -0.829) 3.307 15.071 ( 2.250 2.277 -0.829) 3.307 15.149 ( 0.258 -0.444 -0.416) 0.660 15.149 ( 0.258 0.444 -0.416) 0.660 15.213 ( 2.597 -0.642 0.291) 2.691 15.213 ( 2.597 0.642 0.291) 2.691 17.999 ( 0.316 -0.051 -0.625) 0.702 17.999 ( 0.316 0.051 -0.625) 0.702 18.052 ( -0.297 -0.600 -0.253) 0.716 18.052 ( -0.297 0.600 -0.253) 0.716 19.119 ( -1.290 -0.333 -1.896) 2.317 19.119 ( -1.290 0.333 -1.896) 2.317 19.185 ( -1.228 -0.344 2.382) 2.702 19.185 ( -1.228 0.344 2.382) 2.702 21.463 ( -0.860 -0.783 -1.867) 2.200 21.463 ( -0.860 0.783 -1.867) 2.200 21.923 ( 2.540 -1.741 -0.427) 3.109 21.923 ( 2.540 1.741 -0.427) 3.109 22.158 ( -0.974 -0.721 0.866) 1.489 22.158 ( -0.974 0.721 0.866) 1.489 22.277 ( 2.883 -2.007 -1.018) 3.658 22.277 ( 2.883 2.007 -1.018) 3.658 23.947 ( 0.492 -0.102 0.631) 0.806 23.947 ( 0.492 0.102 0.631) 0.806 24.018 ( -0.514 -0.042 -0.621) 0.807 24.018 ( -0.514 0.042 -0.621) 0.807 27.642 ( -2.874 -2.907 -2.869) 4.994 27.642 ( -2.874 2.907 -2.869) 4.994 27.740 ( 2.122 -2.635 -1.380) 3.654 27.740 ( 2.122 2.635 -1.380) 3.654 27.943 ( -0.193 -2.605 5.536) 6.121 27.943 ( -0.193 2.605 5.536) 6.121 28.505 ( 11.777 -5.089 -5.359) 13.904 28.505 ( 11.777 5.089 -5.359) 13.904 31.517 ( 0.787 -0.216 0.347) 0.887 31.517 ( 0.787 0.216 0.347) 0.887 31.573 ( 0.668 -1.161 -1.252) 1.834 31.573 ( 0.668 1.161 -1.252) 1.834 31.671 ( 1.368 -2.017 3.464) 4.235 31.671 ( 1.368 2.017 3.464) 4.235 32.009 ( 5.061 -2.397 -6.896) 8.884 32.009 ( 5.061 2.397 -6.896) 8.884 33.363 ( 0.771 -1.232 -1.684) 2.224 33.363 ( 0.771 1.232 -1.684) 2.224 33.420 ( -2.483 -0.652 1.915) 3.203 33.420 ( -2.483 0.652 1.915) 3.203 36.452 ( -0.159 -1.549 -0.980) 1.840 36.452 ( -0.159 1.549 -0.980) 1.840 36.494 ( 2.228 -2.586 -0.284) 3.426 36.494 ( 2.228 2.586 -0.284) 3.426 36.624 ( 0.776 -1.751 -0.369) 1.951 36.624 ( 0.776 1.751 -0.369) 1.951 36.800 ( 3.820 -4.006 -0.597) 5.567 36.800 ( 3.820 4.006 -0.597) 5.567 37.224 ( -7.386 -11.071 14.617) 19.768 37.224 ( -7.386 11.071 14.617) 19.768 37.724 ( -9.954 -8.598 -6.100) 14.499 37.724 ( -9.954 8.598 -6.100) 14.499 ======================= Grid point 61 (33/54) ======================= q-point: (-0.14 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -9.747 -11.136 -0.415) 14.804 0.993 ( -9.747 11.136 -0.415) 14.804 1.246 ( -13.927 -14.128 -3.025) 20.067 1.246 ( -13.927 14.128 -3.025) 20.067 1.424 ( 0.636 -7.413 -2.241) 7.771 1.424 ( 0.636 7.413 -2.241) 7.771 1.532 ( -8.689 -3.622 -0.356) 9.421 1.532 ( -8.689 3.622 -0.356) 9.421 1.716 ( 0.840 -3.736 8.747) 9.549 1.716 ( 0.840 3.736 8.747) 9.549 1.871 ( -7.903 -5.638 0.295) 9.712 1.871 ( -7.903 5.638 0.295) 9.712 2.044 ( -0.766 -2.204 -1.168) 2.609 2.044 ( -0.766 2.204 -1.168) 2.609 2.076 ( -3.309 -5.506 -3.397) 7.267 2.076 ( -3.309 5.506 -3.397) 7.267 2.241 ( 0.276 -4.429 -0.844) 4.517 2.241 ( 0.276 4.429 -0.844) 4.517 2.288 ( -8.720 -6.180 1.149) 10.750 2.288 ( -8.720 6.180 1.149) 10.750 2.404 ( -0.466 -1.119 2.180) 2.494 2.404 ( -0.466 1.119 2.180) 2.494 2.500 ( 3.081 -1.225 2.689) 4.269 2.500 ( 3.081 1.225 2.689) 4.269 2.624 ( -6.433 -1.341 -0.040) 6.571 2.624 ( -6.433 1.341 -0.040) 6.571 2.765 ( -1.606 -1.138 3.545) 4.055 2.765 ( -1.606 1.138 3.545) 4.055 2.948 ( -0.458 -4.345 -1.683) 4.682 2.948 ( -0.458 4.345 -1.683) 4.682 3.065 ( 0.900 -1.508 -0.229) 1.771 3.065 ( 0.900 1.508 -0.229) 1.771 3.132 ( 3.882 -2.473 3.452) 5.754 3.132 ( 3.882 2.473 3.452) 5.754 3.244 ( -1.793 -1.421 -2.259) 3.215 3.244 ( -1.793 1.421 -2.259) 3.215 3.505 ( 3.650 -4.882 -3.412) 6.985 3.505 ( 3.650 4.882 -3.412) 6.985 3.621 ( 3.774 -4.348 0.788) 5.811 3.621 ( 3.774 4.348 0.788) 5.811 3.720 ( 1.422 -4.816 0.353) 5.034 3.720 ( 1.422 4.816 0.353) 5.034 3.774 ( 2.946 -0.612 0.400) 3.035 3.774 ( 2.946 0.612 0.400) 3.035 3.846 ( -0.051 -4.497 -5.864) 7.390 3.846 ( -0.051 4.497 -5.864) 7.390 3.917 ( 4.494 -3.376 -1.690) 5.869 3.917 ( 4.494 3.376 -1.690) 5.869 3.994 ( 1.873 -0.399 -0.844) 2.093 3.994 ( 1.873 0.399 -0.844) 2.093 4.151 ( 1.089 -4.833 -0.776) 5.014 4.151 ( 1.089 4.833 -0.776) 5.014 4.314 ( -0.041 -2.616 5.323) 5.931 4.314 ( -0.041 2.616 5.323) 5.931 4.465 ( -1.851 -4.824 3.349) 6.158 4.465 ( -1.851 4.824 3.349) 6.158 4.551 ( -0.721 -6.341 -4.504) 7.811 4.551 ( -0.721 6.341 -4.504) 7.811 4.675 ( -0.148 -1.117 0.327) 1.173 4.675 ( -0.148 1.117 0.327) 1.173 4.814 ( -0.881 -1.268 -2.582) 3.008 4.814 ( -0.881 1.268 -2.582) 3.008 5.003 ( 6.218 -1.032 6.079) 8.757 5.003 ( 6.218 1.032 6.079) 8.757 5.352 ( -6.140 -2.562 -5.794) 8.823 5.352 ( -6.140 2.562 -5.794) 8.823 5.663 ( -0.000 -2.859 0.571) 2.915 5.663 ( -0.000 2.859 0.571) 2.915 5.802 ( 0.897 -2.556 0.876) 2.847 5.802 ( 0.897 2.556 0.876) 2.847 5.998 ( -1.770 -1.256 2.553) 3.351 5.998 ( -1.770 1.256 2.553) 3.351 8.153 ( -0.906 -0.559 0.058) 1.066 8.153 ( -0.906 0.559 0.058) 1.066 8.253 ( 0.486 -0.403 -0.166) 0.652 8.253 ( 0.486 0.403 -0.166) 0.652 8.543 ( 1.578 -0.816 0.740) 1.924 8.543 ( 1.578 0.816 0.740) 1.924 8.561 ( -0.050 -1.173 -0.131) 1.181 8.561 ( -0.050 1.173 -0.131) 1.181 8.623 ( 1.693 -2.151 1.521) 3.132 8.623 ( 1.693 2.151 1.521) 3.132 8.659 ( -0.342 -3.187 -0.661) 3.273 8.659 ( -0.342 3.187 -0.661) 3.273 8.984 ( -0.485 -0.321 -0.182) 0.610 8.984 ( -0.485 0.321 -0.182) 0.610 9.030 ( 0.883 -1.686 0.193) 1.914 9.030 ( 0.883 1.686 0.193) 1.914 9.316 ( 0.456 -2.454 0.037) 2.497 9.316 ( 0.456 2.454 0.037) 2.497 9.374 ( 0.932 -2.314 -0.084) 2.496 9.374 ( 0.932 2.314 -0.084) 2.496 10.273 ( -2.286 -1.006 -0.282) 2.514 10.273 ( -2.286 1.006 -0.282) 2.514 10.346 ( -0.961 -1.355 -0.987) 1.932 10.346 ( -0.961 1.355 -0.987) 1.932 10.504 ( 0.031 -0.522 0.673) 0.852 10.504 ( 0.031 0.522 0.673) 0.852 10.591 ( -0.455 -0.416 -0.085) 0.623 10.591 ( -0.455 0.416 -0.085) 0.623 10.900 ( 0.445 -0.298 0.447) 0.697 10.900 ( 0.445 0.298 0.447) 0.697 10.963 ( 0.969 -0.469 -1.208) 1.618 10.963 ( 0.969 0.469 -1.208) 1.618 13.312 ( -0.235 -0.407 -0.102) 0.481 13.312 ( -0.235 0.407 -0.102) 0.481 13.376 ( -0.139 -0.020 0.026) 0.143 13.376 ( -0.139 0.020 0.026) 0.143 14.313 ( 0.541 -0.585 0.325) 0.860 14.313 ( 0.541 0.585 0.325) 0.860 14.353 ( -0.195 -0.530 -0.650) 0.861 14.353 ( -0.195 0.530 -0.650) 0.861 14.527 ( -0.948 -1.962 -0.483) 2.232 14.527 ( -0.948 1.962 -0.483) 2.232 14.686 ( 2.355 -1.284 2.612) 3.744 14.686 ( 2.355 1.284 2.612) 3.744 14.736 ( -2.967 -0.914 -4.485) 5.455 14.736 ( -2.967 0.914 -4.485) 5.455 14.936 ( 0.155 -3.679 0.479) 3.714 14.936 ( 0.155 3.679 0.479) 3.714 15.008 ( -0.101 -5.015 0.679) 5.062 15.008 ( -0.101 5.015 0.679) 5.062 15.101 ( 0.869 -0.717 0.518) 1.239 15.101 ( 0.869 0.717 0.518) 1.239 15.156 ( 0.878 -0.176 -0.416) 0.987 15.156 ( 0.878 0.176 -0.416) 0.987 15.284 ( 4.064 -1.985 -0.913) 4.614 15.284 ( 4.064 1.985 -0.913) 4.614 18.004 ( 0.253 -0.155 0.120) 0.320 18.004 ( 0.253 0.155 0.120) 0.320 18.043 ( -0.031 -0.397 -0.869) 0.956 18.043 ( -0.031 0.397 -0.869) 0.956 19.071 ( -1.078 -0.097 -2.782) 2.986 19.071 ( -1.078 0.097 -2.782) 2.986 19.182 ( -1.712 -0.183 2.813) 3.298 19.182 ( -1.712 0.183 2.813) 3.298 21.441 ( -0.209 -3.506 0.384) 3.533 21.441 ( -0.209 3.506 0.384) 3.533 21.978 ( 2.981 -2.121 -0.110) 3.660 21.978 ( 2.981 2.121 -0.110) 3.660 22.142 ( -1.447 -1.565 0.401) 2.168 22.142 ( -1.447 1.565 0.401) 2.168 22.329 ( 3.521 -0.711 -1.806) 4.021 22.329 ( 3.521 0.711 -1.806) 4.021 23.973 ( 1.088 -0.076 1.262) 1.668 23.973 ( 1.088 0.076 1.262) 1.668 23.991 ( -1.091 -0.052 -1.229) 1.644 23.991 ( -1.091 0.052 -1.229) 1.644 27.537 ( -2.600 -3.418 -2.170) 4.812 27.537 ( -2.600 3.418 -2.170) 4.812 27.777 ( 2.003 -8.337 -0.613) 8.596 27.777 ( 2.003 8.337 -0.613) 8.596 27.998 ( -0.926 -6.429 5.887) 8.767 27.998 ( -0.926 6.429 5.887) 8.767 28.702 ( 14.101 -7.609 -10.301) 19.049 28.702 ( 14.101 7.609 -10.301) 19.049 31.531 ( 0.134 -0.467 -0.110) 0.499 31.531 ( 0.134 0.467 -0.110) 0.499 31.570 ( 1.023 -0.311 -0.971) 1.445 31.570 ( 1.023 0.311 -0.971) 1.445 31.712 ( -0.045 -3.110 1.082) 3.294 31.712 ( -0.045 3.110 1.082) 3.294 32.098 ( 9.894 -0.014 -6.158) 11.655 32.098 ( 9.894 0.014 -6.158) 11.655 33.356 ( -0.682 -1.063 -0.772) 1.480 33.356 ( -0.682 1.063 -0.772) 1.480 33.388 ( -1.751 -1.207 1.469) 2.585 33.388 ( -1.751 1.207 1.469) 2.585 36.437 ( -0.564 -1.730 -0.475) 1.881 36.437 ( -0.564 1.730 -0.475) 1.881 36.521 ( 0.660 -1.736 0.034) 1.857 36.521 ( 0.660 1.736 0.034) 1.857 36.637 ( 1.297 -0.891 -0.589) 1.680 36.637 ( 1.297 0.891 -0.589) 1.680 36.932 ( 7.781 -1.814 2.535) 8.382 36.932 ( 7.781 1.814 2.535) 8.382 37.162 ( -9.247 -9.414 9.734) 16.397 37.162 ( -9.247 9.414 9.734) 16.397 37.451 ( -14.209 -4.251 -2.216) 14.996 37.451 ( -14.209 4.251 -2.216) 14.996 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 5.317 0.000 21.625) 22.269 1.012 ( 9.307 0.000 23.328) 25.116 1.281 ( -6.569 0.000 -11.504) 13.248 1.286 ( 0.315 0.000 -3.958) 3.970 1.345 ( -9.739 0.000 26.707) 28.427 1.446 ( -5.837 0.000 0.460) 5.855 1.514 ( 0.069 0.000 0.902) 0.905 1.518 ( 3.474 0.000 -7.847) 8.582 1.524 ( -1.465 0.000 -6.595) 6.756 1.628 ( -5.191 0.000 1.888) 5.523 1.780 ( 1.958 0.000 -8.114) 8.347 1.811 ( 2.292 0.000 -5.480) 5.940 1.840 ( 3.822 0.000 3.681) 5.307 1.901 ( -3.110 0.000 -1.198) 3.333 2.059 ( 4.200 0.000 -5.980) 7.308 2.119 ( -2.125 0.000 2.181) 3.045 2.155 ( -0.744 0.000 -15.870) 15.888 2.186 ( 1.770 0.000 -2.229) 2.846 2.231 ( -0.034 0.000 4.278) 4.279 2.257 ( 1.087 0.000 -1.242) 1.650 2.361 ( 0.631 0.000 -1.218) 1.372 2.365 ( -1.411 0.000 1.019) 1.741 2.513 ( 1.295 0.000 1.123) 1.714 2.530 ( -5.909 0.000 1.390) 6.070 2.561 ( 2.359 0.000 -1.426) 2.757 2.563 ( 1.406 0.000 -1.648) 2.166 2.746 ( -2.548 0.000 2.391) 3.494 2.773 ( 6.483 0.000 -1.357) 6.623 3.006 ( 2.708 0.000 3.395) 4.343 3.042 ( -3.822 0.000 -1.961) 4.295 3.118 ( 2.907 0.000 2.417) 3.780 3.179 ( -4.834 0.000 7.447) 8.879 3.216 ( -7.857 0.000 -0.202) 7.859 3.278 ( 0.745 0.000 -1.374) 1.563 3.278 ( -0.664 0.000 -1.454) 1.599 3.332 ( 1.556 0.000 -3.564) 3.889 3.488 ( 2.051 0.000 -0.264) 2.068 3.489 ( -0.943 0.000 0.483) 1.060 3.550 ( -0.560 0.000 -0.493) 0.746 3.559 ( 3.883 0.000 -2.270) 4.497 3.607 ( -2.767 0.000 0.976) 2.934 3.634 ( 2.937 0.000 -0.908) 3.074 3.722 ( -0.480 0.000 2.258) 2.309 3.766 ( 3.876 0.000 -2.393) 4.555 3.854 ( -1.204 0.000 1.138) 1.657 3.859 ( 2.620 0.000 6.010) 6.556 3.892 ( -1.079 0.000 -2.983) 3.172 3.971 ( -2.005 0.000 -5.376) 5.738 4.038 ( 0.599 0.000 3.421) 3.473 4.059 ( -2.407 0.000 4.594) 5.186 4.137 ( -0.989 0.000 -5.552) 5.639 4.139 ( 4.924 0.000 -2.820) 5.674 4.254 ( 2.417 0.000 -1.073) 2.645 4.264 ( -5.055 0.000 -1.824) 5.374 4.419 ( -1.116 0.000 8.342) 8.416 4.529 ( -0.779 0.000 0.000) 0.779 4.552 ( 0.178 0.000 2.724) 2.730 4.571 ( 1.756 0.000 -2.442) 3.008 4.688 ( 5.751 0.000 3.997) 7.004 4.750 ( -1.543 0.000 -2.914) 3.298 4.765 ( 0.385 0.000 -3.511) 3.532 4.802 ( -5.620 0.000 -7.621) 9.469 4.984 ( 7.092 0.000 7.160) 10.078 5.096 ( -11.605 0.000 -4.757) 12.542 5.404 ( 6.567 0.000 2.838) 7.154 5.443 ( -5.239 0.000 -1.798) 5.539 5.522 ( 10.239 0.000 9.057) 13.669 5.684 ( -7.893 0.000 -7.934) 11.191 5.752 ( -0.708 0.000 0.696) 0.993 5.754 ( 1.199 0.000 0.430) 1.274 6.086 ( 1.548 0.000 3.211) 3.565 6.145 ( -4.914 0.000 -3.023) 5.770 8.140 ( 0.982 0.000 -0.049) 0.983 8.141 ( -1.202 0.000 -0.138) 1.210 8.262 ( 0.186 0.000 0.146) 0.237 8.263 ( -0.017 0.000 -0.064) 0.066 8.509 ( 0.188 0.000 0.005) 0.188 8.510 ( -0.425 0.000 -0.090) 0.435 8.537 ( 0.284 0.000 -0.161) 0.327 8.537 ( -0.001 0.000 -0.285) 0.285 8.637 ( 0.628 0.000 1.258) 1.406 8.662 ( -1.453 0.000 -1.522) 2.104 8.705 ( 0.826 0.000 2.609) 2.736 8.738 ( 0.153 0.000 -0.870) 0.883 8.968 ( -0.124 0.000 0.564) 0.577 8.985 ( -0.300 0.000 -1.102) 1.142 9.055 ( 1.200 0.000 1.856) 2.210 9.084 ( -0.805 0.000 -1.292) 1.522 9.246 ( -0.161 0.000 0.341) 0.377 9.251 ( 0.198 0.000 -0.196) 0.278 9.437 ( -0.950 0.000 1.401) 1.692 9.464 ( 2.057 0.000 -1.492) 2.542 10.262 ( 2.155 0.000 0.528) 2.219 10.275 ( -1.563 0.000 -0.814) 1.763 10.306 ( -0.331 0.000 1.084) 1.133 10.328 ( -0.060 0.000 -1.231) 1.232 10.517 ( 0.276 0.000 0.638) 0.695 10.534 ( -0.489 0.000 -1.201) 1.297 10.601 ( -2.423 0.000 1.464) 2.831 10.622 ( 3.075 0.000 -0.630) 3.139 10.890 ( 0.525 0.000 0.289) 0.599 10.901 ( -0.446 0.000 -0.847) 0.957 10.926 ( -1.153 0.000 0.125) 1.159 10.926 ( 1.228 0.000 0.002) 1.228 13.273 ( 0.149 0.000 0.057) 0.160 13.281 ( -0.390 0.000 -0.851) 0.936 13.374 ( 0.031 0.000 0.192) 0.195 13.375 ( 0.082 0.000 0.062) 0.103 14.295 ( 0.195 0.000 -0.053) 0.202 14.299 ( -0.666 0.000 -0.584) 0.886 14.382 ( 0.358 0.000 0.947) 1.012 14.395 ( 0.104 0.000 -0.499) 0.510 14.501 ( 1.326 0.000 2.582) 2.903 14.541 ( -1.075 0.000 -1.533) 1.872 14.607 ( 1.595 0.000 1.902) 2.483 14.649 ( -1.551 0.000 -2.343) 2.810 14.734 ( 0.350 0.000 0.793) 0.867 14.754 ( -0.643 0.000 -1.231) 1.389 14.859 ( 0.366 0.000 0.191) 0.412 14.863 ( -0.278 0.000 -0.170) 0.326 15.050 ( 0.399 0.000 1.225) 1.289 15.072 ( 7.967 0.000 2.424) 8.327 15.083 ( -0.105 0.000 -2.309) 2.312 15.110 ( -2.982 0.000 -1.585) 3.377 15.159 ( 0.349 0.000 2.062) 2.092 15.185 ( 0.563 0.000 -0.719) 0.913 15.253 ( -4.083 0.000 -0.015) 4.083 15.259 ( 3.576 0.000 -0.721) 3.648 18.013 ( -0.048 0.000 0.015) 0.050 18.014 ( -0.313 0.000 -0.036) 0.315 18.030 ( 0.646 0.000 -0.031) 0.646 18.035 ( -0.209 0.000 -0.533) 0.573 19.017 ( 1.123 0.000 -0.843) 1.404 19.019 ( -1.529 0.000 -1.030) 1.844 19.220 ( -1.629 0.000 1.251) 2.054 19.228 ( 0.377 0.000 0.407) 0.554 21.678 ( -4.422 0.000 1.842) 4.790 21.703 ( 8.753 0.000 -0.941) 8.803 21.905 ( 3.063 0.000 2.551) 3.986 21.950 ( -2.096 0.000 -2.270) 3.090 22.025 ( 1.669 0.000 1.617) 2.324 22.066 ( -1.683 0.000 -2.638) 3.129 22.219 ( -0.607 0.000 2.729) 2.795 22.269 ( 0.350 0.000 -2.564) 2.588 23.939 ( -0.439 0.000 -0.343) 0.557 23.941 ( -0.290 0.000 -0.511) 0.587 24.017 ( 0.387 0.000 0.458) 0.599 24.018 ( 0.317 0.000 0.378) 0.493 27.463 ( 3.802 0.000 4.032) 5.542 27.506 ( -0.641 0.000 -0.417) 0.765 27.663 ( -1.716 0.000 -1.715) 2.426 27.666 ( -1.651 0.000 -2.117) 2.685 28.203 ( -17.890 0.000 0.982) 17.917 28.215 ( 31.269 0.000 -0.430) 31.272 28.379 ( 1.252 0.000 11.129) 11.199 28.595 ( -0.806 0.000 -11.642) 11.670 31.517 ( -1.815 0.000 0.384) 1.855 31.528 ( 2.144 0.000 -0.810) 2.292 31.606 ( -0.526 0.000 0.355) 0.635 31.616 ( 0.342 0.000 -0.717) 0.795 31.713 ( -6.203 0.000 -0.136) 6.204 31.716 ( 10.274 0.000 -0.452) 10.284 31.945 ( -7.301 0.000 4.856) 8.769 32.042 ( 11.637 0.000 -5.447) 12.849 33.309 ( -0.401 0.000 0.241) 0.468 33.315 ( 0.543 0.000 -0.480) 0.724 33.439 ( -2.334 0.000 0.909) 2.504 33.445 ( 1.331 0.000 0.190) 1.345 36.455 ( 3.696 0.000 0.605) 3.745 36.466 ( -2.794 0.000 -0.644) 2.867 36.563 ( -0.654 0.000 1.043) 1.231 36.582 ( 0.339 0.000 -1.147) 1.195 36.666 ( 2.018 0.000 4.485) 4.918 36.724 ( -2.710 0.000 -0.503) 2.756 36.814 ( -3.549 0.000 2.693) 4.455 36.851 ( 3.879 0.000 -1.461) 4.145 37.061 ( 6.180 0.000 -0.951) 6.253 37.085 ( -9.109 0.000 -4.274) 10.062 37.615 ( 28.477 0.000 4.360) 28.809 37.682 ( -41.009 0.000 -2.952) 41.115 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -2.615 0.000 -16.915) 17.116 1.091 ( -2.086 0.000 -18.487) 18.604 1.256 ( 3.158 0.000 19.386) 19.641 1.274 ( 5.729 0.000 18.043) 18.931 1.421 ( 4.139 0.000 0.944) 4.246 1.512 ( 5.318 0.000 8.866) 10.339 1.552 ( 8.955 0.000 2.334) 9.254 1.570 ( 7.613 0.000 -0.060) 7.613 1.724 ( 0.726 0.000 -1.184) 1.389 1.760 ( 7.611 0.000 1.344) 7.728 1.884 ( 13.334 0.000 9.209) 16.205 1.898 ( 11.983 0.000 -5.257) 13.085 1.913 ( 8.167 0.000 -0.885) 8.215 1.964 ( 0.932 0.000 3.057) 3.196 2.013 ( 0.387 0.000 -11.181) 11.188 2.014 ( -4.279 0.000 0.361) 4.294 2.090 ( 2.378 0.000 0.214) 2.387 2.237 ( 5.436 0.000 -7.700) 9.426 2.252 ( 0.954 0.000 -0.468) 1.063 2.271 ( 2.253 0.000 0.446) 2.297 2.400 ( 1.297 0.000 0.827) 1.538 2.413 ( 8.494 0.000 2.564) 8.873 2.480 ( -1.312 0.000 3.299) 3.551 2.558 ( 2.062 0.000 1.200) 2.386 2.576 ( 2.646 0.000 -5.557) 6.155 2.608 ( 2.056 0.000 0.672) 2.163 2.659 ( -4.510 0.000 0.573) 4.546 2.851 ( 0.489 0.000 -9.479) 9.492 2.956 ( -2.403 0.000 0.357) 2.429 3.005 ( -2.883 0.000 2.339) 3.713 3.093 ( 0.394 0.000 8.486) 8.495 3.220 ( -2.088 0.000 7.756) 8.032 3.229 ( -3.284 0.000 -0.554) 3.330 3.278 ( 1.926 0.000 -0.365) 1.960 3.308 ( 1.584 0.000 -1.433) 2.135 3.328 ( 5.531 0.000 2.633) 6.126 3.430 ( -7.524 0.000 -3.111) 8.142 3.453 ( -2.766 0.000 -1.067) 2.965 3.517 ( -0.572 0.000 -2.038) 2.117 3.536 ( -1.728 0.000 1.293) 2.158 3.580 ( -3.131 0.000 -3.198) 4.476 3.603 ( -5.098 0.000 -2.415) 5.641 3.684 ( -3.206 0.000 -1.032) 3.368 3.728 ( -2.329 0.000 -2.379) 3.330 3.817 ( -9.125 0.000 1.215) 9.206 3.884 ( -2.250 0.000 1.740) 2.844 3.885 ( 1.810 0.000 0.473) 1.871 3.945 ( 2.880 0.000 -3.006) 4.163 4.066 ( 1.827 0.000 3.409) 3.868 4.088 ( 1.590 0.000 -6.456) 6.649 4.098 ( 2.081 0.000 3.095) 3.729 4.185 ( 1.050 0.000 -1.611) 1.922 4.196 ( -0.800 0.000 0.496) 0.941 4.281 ( -1.285 0.000 4.931) 5.096 4.484 ( -2.658 0.000 -1.229) 2.928 4.521 ( 4.546 0.000 -0.608) 4.587 4.569 ( -1.670 0.000 -3.225) 3.632 4.612 ( 3.904 0.000 2.563) 4.670 4.657 ( -1.692 0.000 -5.964) 6.199 4.736 ( 0.455 0.000 1.654) 1.716 4.754 ( 1.034 0.000 0.897) 1.369 4.856 ( 5.613 0.000 6.271) 8.416 4.869 ( -8.312 0.000 -1.409) 8.431 5.169 ( 2.604 0.000 7.785) 8.209 5.331 ( -3.806 0.000 -2.431) 4.516 5.457 ( -5.102 0.000 -9.225) 10.541 5.544 ( 6.045 0.000 0.419) 6.060 5.721 ( -0.284 0.000 0.698) 0.754 5.761 ( -0.707 0.000 -0.691) 0.988 5.771 ( 5.405 0.000 5.233) 7.523 6.037 ( -4.520 0.000 0.133) 4.522 6.118 ( -2.406 0.000 5.037) 5.582 8.129 ( 0.047 0.000 0.057) 0.074 8.169 ( 1.771 0.000 0.465) 1.831 8.256 ( -0.607 0.000 -0.366) 0.709 8.258 ( -0.594 0.000 -0.103) 0.603 8.510 ( 0.244 0.000 -0.028) 0.246 8.522 ( 0.931 0.000 0.169) 0.946 8.543 ( 0.425 0.000 0.064) 0.430 8.544 ( 1.070 0.000 -0.494) 1.178 8.620 ( -1.824 0.000 -0.634) 1.931 8.659 ( -0.022 0.000 1.872) 1.872 8.703 ( -2.024 0.000 -2.741) 3.408 8.716 ( -1.039 0.000 1.058) 1.482 8.976 ( 0.266 0.000 -0.330) 0.424 8.978 ( 0.097 0.000 1.133) 1.137 9.043 ( -1.760 0.000 -1.690) 2.440 9.076 ( -0.499 0.000 0.922) 1.048 9.250 ( 0.444 0.000 0.315) 0.545 9.256 ( 0.484 0.000 -0.386) 0.619 9.407 ( -2.586 0.000 0.325) 2.607 9.455 ( -0.824 0.000 -2.030) 2.190 10.249 ( 0.668 0.000 -0.869) 1.096 10.283 ( 0.352 0.000 -0.480) 0.596 10.334 ( 1.177 0.000 1.017) 1.556 10.373 ( 4.184 0.000 -0.161) 4.187 10.519 ( -0.197 0.000 -0.919) 0.940 10.536 ( 1.159 0.000 1.646) 2.013 10.568 ( -1.427 0.000 0.317) 1.462 10.652 ( 0.780 0.000 -1.082) 1.334 10.881 ( -0.822 0.000 -0.727) 1.098 10.890 ( -1.061 0.000 0.390) 1.130 10.906 ( -0.585 0.000 0.334) 0.674 10.941 ( 0.210 0.000 -0.149) 0.257 13.274 ( 0.240 0.000 -0.112) 0.265 13.282 ( 0.355 0.000 0.555) 0.659 13.374 ( -0.185 0.000 -0.215) 0.283 13.375 ( 0.109 0.000 0.028) 0.112 14.293 ( 0.140 0.000 0.111) 0.178 14.310 ( 1.014 0.000 0.764) 1.269 14.380 ( -0.886 0.000 -1.317) 1.587 14.387 ( -0.239 0.000 0.477) 0.534 14.495 ( -1.674 0.000 -2.157) 2.730 14.543 ( 0.808 0.000 1.787) 1.961 14.583 ( -2.861 0.000 -1.984) 3.482 14.652 ( 1.232 0.000 2.092) 2.428 14.729 ( -0.838 0.000 -0.675) 1.076 14.738 ( -1.655 0.000 -0.491) 1.726 14.857 ( -0.446 0.000 -0.823) 0.937 14.875 ( 1.081 0.000 0.173) 1.095 14.932 ( -7.557 0.000 -4.962) 9.040 15.056 ( -0.505 0.000 -1.802) 1.872 15.071 ( 0.223 0.000 1.267) 1.287 15.129 ( 0.065 0.000 0.385) 0.390 15.159 ( -1.199 0.000 -1.376) 1.825 15.165 ( -0.456 0.000 0.993) 1.093 15.228 ( -0.331 0.000 1.390) 1.429 15.324 ( 1.534 0.000 -1.518) 2.158 18.019 ( 0.170 0.000 0.009) 0.170 18.027 ( 0.656 0.000 -0.372) 0.754 18.032 ( 0.582 0.000 -0.605) 0.839 18.047 ( 1.344 0.000 0.706) 1.518 19.018 ( 1.609 0.000 -0.295) 1.636 19.057 ( 2.644 0.000 0.583) 2.707 19.220 ( -0.062 0.000 1.283) 1.285 19.255 ( 1.711 0.000 0.967) 1.965 21.550 ( -6.753 0.000 -3.000) 7.390 21.751 ( 0.424 0.000 -3.144) 3.173 21.906 ( -0.240 0.000 -2.377) 2.389 21.981 ( 0.424 0.000 -1.526) 1.583 22.029 ( 1.510 0.000 0.468) 1.581 22.077 ( 1.635 0.000 1.717) 2.371 22.228 ( -1.106 0.000 2.857) 3.064 22.248 ( -0.131 0.000 -2.404) 2.408 23.943 ( 0.620 0.000 0.808) 1.018 23.946 ( 0.703 0.000 0.639) 0.950 24.013 ( -0.646 0.000 -0.733) 0.977 24.014 ( -0.612 0.000 -0.656) 0.897 27.432 ( -3.032 0.000 -3.832) 4.886 27.514 ( 0.109 0.000 -0.823) 0.830 27.699 ( 3.654 0.000 3.032) 4.748 27.707 ( 4.650 0.000 2.078) 5.093 27.818 ( -13.973 0.000 -7.886) 16.045 28.405 ( -6.987 0.000 -11.106) 13.121 28.439 ( -5.265 0.000 10.345) 11.608 28.571 ( 10.849 0.000 -9.524) 14.436 31.481 ( -2.012 0.000 0.255) 2.029 31.542 ( -1.885 0.000 -0.419) 1.930 31.565 ( -0.718 0.000 -1.735) 1.877 31.599 ( -1.170 0.000 -0.211) 1.189 31.634 ( -1.200 0.000 0.945) 1.527 31.836 ( -6.872 0.000 2.085) 7.181 31.841 ( 3.455 0.000 -3.016) 4.586 32.188 ( 9.169 0.000 -11.100) 14.398 33.315 ( 0.864 0.000 -0.273) 0.906 33.327 ( 0.636 0.000 0.234) 0.677 33.406 ( -1.574 0.000 1.357) 2.078 33.468 ( 0.769 0.000 0.339) 0.841 36.403 ( -2.439 0.000 -0.662) 2.528 36.504 ( -0.149 0.000 -1.580) 1.587 36.556 ( -1.728 0.000 -0.871) 1.935 36.558 ( 1.348 0.000 0.760) 1.548 36.650 ( -3.350 0.000 -2.770) 4.347 36.755 ( 2.596 0.000 4.436) 5.140 36.808 ( -1.589 0.000 2.247) 2.752 36.899 ( -2.810 0.000 2.447) 3.727 37.005 ( 6.317 0.000 -2.527) 6.804 37.063 ( -20.096 0.000 4.737) 20.647 37.223 ( 7.496 0.000 4.953) 8.985 38.185 ( 19.838 0.000 9.963) 22.200 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 7.743 0.000 -13.613) 15.661 1.107 ( 13.679 0.000 -3.541) 14.130 1.437 ( 0.187 0.000 9.050) 9.052 1.453 ( 0.108 0.000 8.680) 8.681 1.546 ( 6.798 0.000 -1.760) 7.022 1.706 ( 5.117 0.000 3.144) 6.006 1.728 ( 0.857 0.000 1.014) 1.328 1.745 ( 1.064 0.000 1.553) 1.882 1.796 ( 9.277 0.000 7.420) 11.879 1.864 ( -1.815 0.000 3.808) 4.219 1.918 ( 1.919 0.000 4.119) 4.544 1.961 ( 2.145 0.000 7.169) 7.483 1.979 ( 3.214 0.000 -1.654) 3.615 2.027 ( 9.896 0.000 -3.927) 10.646 2.062 ( 11.772 0.000 -0.538) 11.784 2.210 ( 5.837 0.000 0.738) 5.883 2.254 ( 6.752 0.000 -7.373) 9.997 2.293 ( 3.494 0.000 -0.065) 3.494 2.316 ( 7.504 0.000 -0.272) 7.509 2.348 ( 12.794 0.000 -4.160) 13.453 2.393 ( 0.594 0.000 2.139) 2.220 2.521 ( 0.426 0.000 0.110) 0.440 2.560 ( 6.580 0.000 -5.160) 8.362 2.600 ( 3.598 0.000 -4.111) 5.463 2.620 ( -0.868 0.000 -0.040) 0.869 2.656 ( 1.067 0.000 3.109) 3.287 2.685 ( -0.444 0.000 -0.772) 0.890 2.812 ( 12.053 0.000 2.573) 12.325 2.937 ( -2.091 0.000 1.754) 2.729 3.014 ( -1.607 0.000 2.553) 3.017 3.145 ( -4.366 0.000 -1.377) 4.578 3.154 ( -5.800 0.000 0.485) 5.820 3.189 ( 0.480 0.000 1.343) 1.427 3.231 ( -4.052 0.000 -5.868) 7.131 3.290 ( -3.307 0.000 -1.355) 3.574 3.337 ( -6.629 0.000 2.420) 7.057 3.364 ( -3.061 0.000 -3.034) 4.310 3.427 ( 6.541 0.000 4.092) 7.716 3.467 ( -2.826 0.000 2.344) 3.672 3.475 ( -2.465 0.000 0.876) 2.616 3.524 ( -3.953 0.000 2.198) 4.523 3.530 ( 0.941 0.000 1.033) 1.398 3.563 ( -8.018 0.000 -0.042) 8.018 3.696 ( 2.123 0.000 -0.437) 2.168 3.702 ( -0.774 0.000 -0.699) 1.043 3.869 ( -5.631 0.000 -0.856) 5.696 3.874 ( -0.778 0.000 -0.297) 0.833 3.938 ( 2.328 0.000 -3.301) 4.039 4.029 ( -2.013 0.000 -2.993) 3.607 4.119 ( -1.964 0.000 -1.429) 2.429 4.120 ( -2.744 0.000 -0.901) 2.888 4.201 ( 4.336 0.000 0.734) 4.398 4.207 ( -1.123 0.000 2.255) 2.519 4.323 ( 0.160 0.000 6.287) 6.289 4.381 ( -3.466 0.000 -5.754) 6.718 4.513 ( -1.096 0.000 1.874) 2.171 4.516 ( -1.314 0.000 -7.227) 7.345 4.630 ( -0.074 0.000 1.681) 1.682 4.687 ( 2.541 0.000 0.361) 2.567 4.732 ( -3.074 0.000 -2.385) 3.891 4.804 ( 1.553 0.000 4.043) 4.331 4.814 ( 0.249 0.000 3.828) 3.836 4.957 ( -0.479 0.000 2.316) 2.365 5.078 ( -7.017 0.000 -10.170) 12.356 5.298 ( 1.402 0.000 2.128) 2.549 5.471 ( 4.314 0.000 6.029) 7.414 5.626 ( 2.516 0.000 -2.654) 3.657 5.697 ( -0.358 0.000 -0.477) 0.597 5.711 ( -3.083 0.000 -0.886) 3.208 5.861 ( -1.267 0.000 1.957) 2.331 5.991 ( -0.522 0.000 1.591) 1.675 6.092 ( -4.003 0.000 4.337) 5.902 8.143 ( 1.149 0.000 0.179) 1.163 8.210 ( 1.249 0.000 1.180) 1.718 8.237 ( -0.292 0.000 -1.109) 1.147 8.242 ( -0.926 0.000 0.131) 0.935 8.508 ( 0.146 0.000 -0.896) 0.907 8.534 ( 0.481 0.000 -0.501) 0.694 8.566 ( 1.253 0.000 1.606) 2.037 8.568 ( 1.329 0.000 -0.423) 1.395 8.579 ( -1.667 0.000 -0.906) 1.898 8.637 ( -1.601 0.000 -2.227) 2.743 8.656 ( -1.267 0.000 0.357) 1.316 8.701 ( -1.250 0.000 0.717) 1.441 8.987 ( 0.440 0.000 0.221) 0.493 8.989 ( 0.154 0.000 0.991) 1.003 9.001 ( -0.877 0.000 -0.987) 1.321 9.054 ( -1.805 0.000 -0.236) 1.820 9.261 ( 0.557 0.000 -0.556) 0.787 9.268 ( 0.960 0.000 0.259) 0.994 9.368 ( -1.483 0.000 0.358) 1.525 9.412 ( -1.553 0.000 -1.910) 2.462 10.281 ( 2.619 0.000 -0.068) 2.620 10.302 ( 1.832 0.000 0.023) 1.832 10.362 ( 0.766 0.000 0.914) 1.193 10.416 ( 0.945 0.000 -1.094) 1.446 10.508 ( -0.124 0.000 -0.920) 0.928 10.550 ( -0.365 0.000 -0.914) 0.984 10.597 ( 2.034 0.000 2.000) 2.853 10.643 ( -0.477 0.000 -0.828) 0.956 10.863 ( -0.239 0.000 -0.560) 0.609 10.867 ( -1.209 0.000 0.319) 1.250 10.902 ( -0.792 0.000 0.929) 1.221 10.929 ( -1.150 0.000 -0.390) 1.214 13.287 ( 0.658 0.000 0.509) 0.832 13.291 ( -0.004 0.000 0.591) 0.591 13.367 ( -0.236 0.000 -0.274) 0.362 13.380 ( 0.347 0.000 -0.061) 0.353 14.298 ( 0.074 0.000 -0.011) 0.075 14.336 ( -0.082 0.000 -0.275) 0.287 14.349 ( 0.008 0.000 -0.328) 0.328 14.388 ( -0.170 0.000 0.673) 0.694 14.453 ( -0.720 0.000 -1.344) 1.525 14.529 ( -1.281 0.000 0.335) 1.324 14.556 ( -0.354 0.000 -0.325) 0.480 14.673 ( 0.432 0.000 -0.230) 0.490 14.687 ( 0.549 0.000 1.149) 1.274 14.712 ( -0.388 0.000 0.402) 0.559 14.827 ( -0.697 0.000 -0.805) 1.065 14.878 ( 0.088 0.000 -0.044) 0.098 14.895 ( 0.864 0.000 -0.527) 1.012 15.046 ( 0.649 0.000 -0.016) 0.649 15.085 ( 0.040 0.000 1.178) 1.179 15.117 ( -1.326 0.000 0.177) 1.338 15.137 ( -0.442 0.000 -0.423) 0.612 15.164 ( -0.680 0.000 0.996) 1.206 15.220 ( -1.249 0.000 0.148) 1.258 15.301 ( -1.003 0.000 -3.140) 3.296 18.009 ( -0.415 0.000 -0.798) 0.899 18.028 ( 0.151 0.000 -0.815) 0.829 18.048 ( 0.610 0.000 0.422) 0.742 18.075 ( 0.555 0.000 0.106) 0.565 19.061 ( 2.626 0.000 0.240) 2.637 19.107 ( 1.698 0.000 0.608) 1.804 19.228 ( -0.242 0.000 0.917) 0.948 19.290 ( 0.300 0.000 0.860) 0.911 21.437 ( -1.166 0.000 -2.947) 3.170 21.703 ( -1.271 0.000 -5.115) 5.270 21.889 ( 0.328 0.000 -1.879) 1.907 21.941 ( -1.475 0.000 -1.569) 2.154 22.080 ( 1.220 0.000 1.950) 2.300 22.109 ( 0.514 0.000 0.874) 1.014 22.226 ( 0.163 0.000 -2.118) 2.124 22.228 ( -1.382 0.000 2.464) 2.826 23.971 ( 0.554 0.000 0.534) 0.770 23.973 ( 1.208 0.000 1.373) 1.829 23.986 ( -1.193 0.000 -1.234) 1.716 23.988 ( -0.481 0.000 -0.620) 0.785 27.382 ( 0.557 0.000 -0.725) 0.914 27.514 ( 1.486 0.000 -0.290) 1.514 27.655 ( 1.694 0.000 -0.426) 1.747 27.787 ( 1.979 0.000 1.177) 2.303 27.844 ( 7.314 0.000 2.119) 7.615 28.151 ( -9.170 0.000 -9.028) 12.868 28.368 ( -9.706 0.000 7.422) 12.219 28.569 ( -0.052 0.000 -10.329) 10.329 31.452 ( -1.141 0.000 0.524) 1.256 31.509 ( -1.433 0.000 1.554) 2.114 31.558 ( 0.922 0.000 -0.335) 0.981 31.576 ( -0.993 0.000 0.216) 1.017 31.646 ( 0.821 0.000 0.902) 1.220 31.733 ( -4.969 0.000 1.621) 5.227 31.828 ( -1.185 0.000 -2.750) 2.994 32.177 ( 1.375 0.000 -12.424) 12.500 33.330 ( 1.202 0.000 -0.956) 1.536 33.335 ( -0.461 0.000 1.174) 1.261 33.413 ( 1.066 0.000 0.831) 1.351 33.481 ( 0.287 0.000 0.213) 0.357 36.371 ( -0.659 0.000 0.224) 0.696 36.468 ( -0.777 0.000 -2.504) 2.621 36.500 ( -2.589 0.000 -1.793) 3.149 36.581 ( 0.072 0.000 -0.536) 0.541 36.582 ( -1.615 0.000 -0.146) 1.622 36.671 ( -9.625 0.000 2.079) 9.847 36.853 ( 3.130 0.000 4.782) 5.716 36.880 ( -2.501 0.000 5.538) 6.077 36.992 ( 3.658 0.000 -0.470) 3.688 37.122 ( 7.159 0.000 -4.498) 8.455 37.449 ( 7.727 0.000 11.683) 14.007 38.444 ( 1.634 0.000 1.032) 1.932 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 15.247 0.000 -5.749) 16.295 1.282 ( -4.280 0.000 1.342) 4.486 1.411 ( -2.697 0.000 0.054) 2.697 1.463 ( -7.345 0.000 4.612) 8.673 1.672 ( 8.172 0.000 1.695) 8.346 1.711 ( 9.804 0.000 1.858) 9.978 1.806 ( 2.971 0.000 2.387) 3.811 1.823 ( 3.782 0.000 3.595) 5.218 1.904 ( -10.134 0.000 19.015) 21.547 1.910 ( -1.662 0.000 -1.006) 1.942 2.007 ( 1.366 0.000 5.556) 5.721 2.035 ( 1.351 0.000 -2.106) 2.502 2.046 ( 4.847 0.000 4.105) 6.352 2.206 ( 7.599 0.000 -1.686) 7.783 2.221 ( -3.377 0.000 -3.037) 4.542 2.258 ( 1.004 0.000 -7.104) 7.175 2.313 ( 7.367 0.000 -3.981) 8.374 2.353 ( 5.788 0.000 1.061) 5.885 2.440 ( 5.829 0.000 -4.368) 7.284 2.460 ( 1.385 0.000 5.750) 5.915 2.508 ( 1.112 0.000 -4.641) 4.772 2.537 ( -5.378 0.000 1.261) 5.524 2.618 ( 3.163 0.000 2.177) 3.840 2.619 ( 11.920 0.000 -7.513) 14.090 2.672 ( 4.269 0.000 5.987) 7.354 2.710 ( 4.708 0.000 -2.063) 5.140 2.745 ( 6.157 0.000 -2.168) 6.528 2.873 ( -5.497 0.000 1.284) 5.645 2.910 ( -7.066 0.000 1.431) 7.209 2.963 ( -3.180 0.000 -5.596) 6.436 3.059 ( 0.348 0.000 -1.127) 1.179 3.086 ( -2.424 0.000 -1.045) 2.640 3.146 ( 2.802 0.000 -0.368) 2.826 3.166 ( -0.351 0.000 2.248) 2.275 3.225 ( -3.184 0.000 -2.624) 4.126 3.237 ( -9.045 0.000 4.548) 10.124 3.314 ( -1.163 0.000 1.941) 2.263 3.346 ( -1.481 0.000 -2.937) 3.289 3.439 ( -1.084 0.000 0.632) 1.255 3.460 ( 0.105 0.000 -0.353) 0.368 3.536 ( 0.818 0.000 1.710) 1.896 3.558 ( -0.613 0.000 0.733) 0.956 3.700 ( 2.890 0.000 -1.530) 3.270 3.703 ( 0.267 0.000 -1.895) 1.913 3.738 ( 1.314 0.000 6.092) 6.232 3.743 ( -3.703 0.000 -1.140) 3.875 3.889 ( 2.455 0.000 5.311) 5.850 3.925 ( 0.766 0.000 -3.361) 3.447 3.977 ( 0.718 0.000 3.844) 3.910 4.057 ( -5.117 0.000 -1.738) 5.404 4.059 ( -2.066 0.000 -0.658) 2.168 4.162 ( 2.955 0.000 -4.275) 5.197 4.235 ( -1.381 0.000 -4.910) 5.101 4.347 ( -2.861 0.000 -3.135) 4.244 4.376 ( 4.432 0.000 2.548) 5.112 4.423 ( 0.078 0.000 0.583) 0.588 4.523 ( -0.984 0.000 1.301) 1.631 4.646 ( -6.119 0.000 -4.794) 7.773 4.671 ( 2.093 0.000 2.228) 3.057 4.688 ( -0.209 0.000 2.258) 2.268 4.774 ( -4.675 0.000 -0.813) 4.745 4.867 ( 0.278 0.000 4.522) 4.530 4.893 ( -2.457 0.000 -8.555) 8.901 4.952 ( 0.746 0.000 -0.974) 1.226 5.369 ( 1.587 0.000 5.624) 5.844 5.590 ( -0.797 0.000 -6.309) 6.359 5.610 ( 4.031 0.000 5.485) 6.807 5.672 ( -0.304 0.000 1.466) 1.497 5.703 ( 0.485 0.000 -1.175) 1.271 5.795 ( -4.685 0.000 -0.888) 4.768 6.014 ( 0.458 0.000 2.096) 2.145 6.057 ( -2.244 0.000 1.542) 2.723 8.173 ( 1.584 0.000 0.229) 1.600 8.206 ( -1.228 0.000 -0.117) 1.233 8.231 ( -0.425 0.000 0.749) 0.861 8.246 ( 0.737 0.000 -0.369) 0.824 8.513 ( 0.875 0.000 -0.112) 0.882 8.537 ( 0.234 0.000 -0.611) 0.654 8.549 ( -0.344 0.000 -0.687) 0.768 8.568 ( -0.655 0.000 -1.040) 1.228 8.597 ( -0.100 0.000 1.179) 1.184 8.628 ( 1.762 0.000 0.647) 1.877 8.634 ( -0.637 0.000 -0.891) 1.096 8.677 ( -1.529 0.000 0.090) 1.532 8.981 ( 0.336 0.000 -0.436) 0.550 8.995 ( -0.883 0.000 0.598) 1.067 9.006 ( 0.301 0.000 0.584) 0.657 9.022 ( -0.456 0.000 -0.633) 0.780 9.269 ( 0.760 0.000 -0.364) 0.843 9.281 ( -0.051 0.000 -0.101) 0.113 9.352 ( -0.890 0.000 0.871) 1.245 9.376 ( -0.159 0.000 -1.628) 1.636 10.330 ( 1.845 0.000 0.556) 1.927 10.338 ( 1.187 0.000 0.364) 1.241 10.377 ( -0.004 0.000 0.681) 0.681 10.412 ( 0.187 0.000 -1.473) 1.485 10.500 ( 0.204 0.000 -0.637) 0.669 10.527 ( -0.954 0.000 -1.449) 1.735 10.623 ( -0.013 0.000 0.218) 0.219 10.628 ( -0.536 0.000 -0.166) 0.561 10.859 ( -0.097 0.000 0.742) 0.748 10.867 ( 1.078 0.000 -0.436) 1.163 10.886 ( -1.360 0.000 0.430) 1.426 10.897 ( -1.470 0.000 -0.533) 1.564 13.295 ( -0.008 0.000 0.603) 0.603 13.301 ( 0.288 0.000 0.308) 0.422 13.365 ( 0.187 0.000 0.157) 0.244 13.382 ( -0.074 0.000 -0.407) 0.414 14.294 ( -0.185 0.000 -0.259) 0.319 14.308 ( -0.744 0.000 -1.136) 1.358 14.374 ( 1.083 0.000 0.626) 1.251 14.388 ( -0.507 0.000 0.556) 0.753 14.449 ( 0.873 0.000 0.155) 0.886 14.513 ( -1.549 0.000 -1.621) 2.242 14.563 ( 1.799 0.000 2.893) 3.407 14.682 ( -1.195 0.000 -0.939) 1.520 14.728 ( 0.939 0.000 1.390) 1.678 14.789 ( 3.547 0.000 3.944) 5.304 14.798 ( 0.989 0.000 2.111) 2.331 14.884 ( 0.371 0.000 0.649) 0.747 14.896 ( 0.139 0.000 -1.026) 1.035 15.066 ( -0.809 0.000 -1.179) 1.429 15.091 ( -0.094 0.000 1.080) 1.085 15.094 ( 0.074 0.000 0.782) 0.786 15.125 ( -0.200 0.000 -0.445) 0.488 15.151 ( -1.593 0.000 0.767) 1.768 15.194 ( -0.960 0.000 -0.385) 1.034 15.247 ( -0.646 0.000 -4.594) 4.639 17.998 ( -0.004 0.000 -0.336) 0.336 18.018 ( -0.284 0.000 -1.024) 1.063 18.057 ( -0.070 0.000 0.542) 0.547 18.073 ( 0.006 0.000 -0.761) 0.761 19.114 ( 2.131 0.000 0.505) 2.190 19.133 ( 0.539 0.000 0.273) 0.604 19.228 ( -0.538 0.000 1.115) 1.238 19.275 ( -1.305 0.000 -0.993) 1.640 21.447 ( 2.180 0.000 1.388) 2.585 21.620 ( -1.719 0.000 -6.578) 6.799 21.887 ( 0.916 0.000 -1.215) 1.522 21.903 ( -1.395 0.000 -0.774) 1.595 22.107 ( 0.027 0.000 1.542) 1.542 22.119 ( 0.125 0.000 0.219) 0.252 22.217 ( -1.805 0.000 1.873) 2.602 22.224 ( 1.298 0.000 -1.430) 1.931 23.951 ( -0.718 0.000 -0.921) 1.168 23.953 ( -0.970 0.000 -0.879) 1.309 24.006 ( 0.898 0.000 0.971) 1.323 24.009 ( 0.801 0.000 0.849) 1.168 27.440 ( 3.736 0.000 3.304) 4.988 27.566 ( 2.211 0.000 0.467) 2.259 27.719 ( 0.477 0.000 0.479) 0.676 27.869 ( 4.901 0.000 9.332) 10.541 27.911 ( -7.780 0.000 -6.942) 10.426 28.021 ( 9.251 0.000 0.640) 9.273 28.233 ( -8.629 0.000 3.962) 9.495 28.424 ( -3.756 0.000 -12.707) 13.251 31.450 ( 0.323 0.000 0.883) 0.941 31.486 ( -1.488 0.000 0.307) 1.520 31.570 ( 0.089 0.000 0.673) 0.679 31.608 ( 0.446 0.000 1.692) 1.750 31.635 ( 0.276 0.000 0.623) 0.681 31.733 ( 1.181 0.000 5.705) 5.826 31.769 ( -1.870 0.000 -2.976) 3.515 32.050 ( -2.050 0.000 -12.960) 13.121 33.334 ( -0.521 0.000 0.728) 0.895 33.343 ( 1.208 0.000 -1.323) 1.791 33.445 ( 1.016 0.000 1.243) 1.606 33.480 ( -0.531 0.000 0.020) 0.531 36.379 ( 0.653 0.000 0.938) 1.142 36.434 ( -0.550 0.000 -2.340) 2.404 36.457 ( -0.108 0.000 -0.366) 0.382 36.517 ( -4.115 0.000 -0.811) 4.194 36.572 ( -0.026 0.000 0.531) 0.531 36.598 ( -0.212 0.000 -1.060) 1.081 36.888 ( -2.624 0.000 6.526) 7.034 36.942 ( 1.660 0.000 3.717) 4.070 37.055 ( 3.158 0.000 -1.409) 3.458 37.173 ( 2.813 0.000 -5.909) 6.544 37.722 ( 6.768 0.000 17.917) 19.153 38.329 ( -6.738 0.000 -11.215) 13.084 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -16.387 0.000 -0.176) 16.387 1.310 ( 5.621 0.000 -1.485) 5.813 1.376 ( -1.586 0.000 3.305) 3.666 1.459 ( 5.893 0.000 4.622) 7.489 1.694 ( -14.874 0.000 2.483) 15.080 1.751 ( -5.790 0.000 -1.489) 5.978 1.826 ( -3.908 0.000 -0.674) 3.966 1.849 ( -1.789 0.000 0.624) 1.894 1.869 ( -0.502 0.000 3.041) 3.082 1.949 ( -1.637 0.000 5.303) 5.550 2.053 ( 1.757 0.000 -1.249) 2.156 2.071 ( -5.620 0.000 9.301) 10.867 2.133 ( 1.690 0.000 0.637) 1.806 2.136 ( -7.496 0.000 -1.531) 7.651 2.202 ( 7.607 0.000 0.685) 7.638 2.246 ( 2.837 0.000 -8.812) 9.257 2.335 ( -5.354 0.000 -4.333) 6.888 2.355 ( -2.463 0.000 1.100) 2.698 2.390 ( -2.463 0.000 -3.768) 4.502 2.460 ( 0.571 0.000 -1.979) 2.060 2.513 ( -4.353 0.000 4.336) 6.144 2.527 ( -2.383 0.000 1.745) 2.954 2.581 ( -6.723 0.000 -5.381) 8.612 2.651 ( -3.219 0.000 0.859) 3.331 2.717 ( -2.062 0.000 -3.007) 3.647 2.722 ( -6.480 0.000 1.283) 6.606 2.784 ( -1.750 0.000 -5.185) 5.473 2.831 ( -2.431 0.000 6.020) 6.493 2.851 ( 2.110 0.000 0.840) 2.271 2.916 ( 10.733 0.000 0.996) 10.779 3.055 ( -4.865 0.000 -0.505) 4.891 3.110 ( -0.505 0.000 -1.491) 1.574 3.131 ( -0.011 0.000 -0.438) 0.438 3.147 ( 3.310 0.000 4.405) 5.510 3.238 ( -1.091 0.000 -5.249) 5.361 3.274 ( 10.487 0.000 1.300) 10.567 3.317 ( 1.101 0.000 0.473) 1.199 3.356 ( 4.646 0.000 0.854) 4.723 3.447 ( -0.212 0.000 -0.807) 0.834 3.457 ( 2.191 0.000 0.756) 2.318 3.536 ( -0.092 0.000 1.427) 1.430 3.546 ( 0.194 0.000 -0.532) 0.566 3.665 ( -4.203 0.000 2.380) 4.829 3.728 ( 1.355 0.000 -1.682) 2.160 3.741 ( 3.188 0.000 -1.979) 3.752 3.770 ( 3.171 0.000 -1.580) 3.543 3.912 ( -1.473 0.000 -0.339) 1.511 3.988 ( 6.267 0.000 3.047) 6.969 4.018 ( 3.029 0.000 4.617) 5.522 4.034 ( -0.872 0.000 -1.751) 1.956 4.080 ( -3.588 0.000 -7.897) 8.674 4.135 ( 3.174 0.000 5.565) 6.406 4.174 ( -9.252 0.000 -7.514) 11.919 4.235 ( 4.007 0.000 2.286) 4.613 4.440 ( -4.612 0.000 -2.991) 5.497 4.487 ( 0.059 0.000 -2.532) 2.533 4.510 ( 1.740 0.000 0.519) 1.815 4.563 ( 8.425 0.000 4.009) 9.330 4.690 ( -2.653 0.000 -2.107) 3.387 4.735 ( 2.083 0.000 4.340) 4.814 4.769 ( 4.278 0.000 3.849) 5.755 4.791 ( -1.664 0.000 -5.922) 6.151 4.892 ( -1.868 0.000 5.290) 5.610 4.936 ( -1.089 0.000 -2.734) 2.942 5.463 ( 2.097 0.000 7.051) 7.356 5.499 ( -2.006 0.000 -7.842) 8.094 5.676 ( 0.544 0.000 1.667) 1.753 5.685 ( -0.360 0.000 -2.634) 2.658 5.699 ( -3.390 0.000 -1.607) 3.752 5.756 ( 4.795 0.000 3.483) 5.927 6.034 ( -0.993 0.000 0.027) 0.994 6.053 ( 1.964 0.000 2.275) 3.005 8.178 ( -1.429 0.000 -0.339) 1.469 8.199 ( 0.619 0.000 0.648) 0.896 8.239 ( 0.292 0.000 0.522) 0.598 8.246 ( 0.091 0.000 -0.776) 0.781 8.521 ( -1.119 0.000 -0.838) 1.398 8.525 ( -0.135 0.000 0.503) 0.521 8.549 ( -0.234 0.000 -0.692) 0.730 8.554 ( 0.793 0.000 0.395) 0.885 8.613 ( 0.778 0.000 1.310) 1.524 8.614 ( -0.286 0.000 -0.853) 0.899 8.646 ( -1.382 0.000 -1.023) 1.719 8.674 ( 2.160 0.000 0.348) 2.188 8.975 ( -0.894 0.000 0.244) 0.927 9.001 ( 1.783 0.000 0.150) 1.789 9.011 ( -0.202 0.000 0.277) 0.342 9.018 ( 0.032 0.000 -0.681) 0.681 9.266 ( -0.964 0.000 -0.050) 0.965 9.280 ( 0.208 0.000 -0.032) 0.211 9.351 ( 0.187 0.000 0.978) 0.996 9.375 ( 1.232 0.000 -1.663) 2.070 10.339 ( -1.291 0.000 -0.192) 1.305 10.348 ( -0.486 0.000 -0.492) 0.692 10.380 ( -0.309 0.000 1.588) 1.617 10.399 ( -0.048 0.000 -1.818) 1.819 10.499 ( -0.598 0.000 -0.427) 0.735 10.508 ( 0.659 0.000 0.399) 0.770 10.620 ( -0.455 0.000 0.571) 0.730 10.621 ( -0.307 0.000 0.454) 0.548 10.858 ( -0.883 0.000 0.507) 1.019 10.871 ( -0.432 0.000 -0.542) 0.693 10.886 ( 1.179 0.000 0.646) 1.344 10.894 ( 1.810 0.000 -0.373) 1.848 13.300 ( -0.104 0.000 0.379) 0.393 13.304 ( 0.038 0.000 -0.155) 0.160 13.372 ( -0.380 0.000 -0.516) 0.641 13.373 ( 0.214 0.000 0.445) 0.494 14.294 ( -0.035 0.000 -0.306) 0.308 14.294 ( 0.315 0.000 0.336) 0.461 14.379 ( -0.720 0.000 0.023) 0.721 14.395 ( 0.795 0.000 -0.070) 0.798 14.465 ( -1.472 0.000 -1.602) 2.175 14.485 ( 1.914 0.000 1.235) 2.278 14.622 ( -2.618 0.000 -3.022) 3.998 14.643 ( 2.553 0.000 3.329) 4.195 14.752 ( -1.342 0.000 -1.229) 1.819 14.764 ( 1.238 0.000 1.604) 2.026 14.880 ( 0.028 0.000 0.756) 0.756 14.885 ( -0.393 0.000 -1.096) 1.164 14.963 ( -4.564 0.000 -7.715) 8.964 14.997 ( 5.608 0.000 6.377) 8.492 15.104 ( 0.445 0.000 0.281) 0.527 15.110 ( 0.428 0.000 -0.832) 0.936 15.120 ( -1.531 0.000 -0.052) 1.532 15.146 ( 1.900 0.000 1.515) 2.430 15.182 ( -0.598 0.000 1.512) 1.626 15.208 ( 0.003 0.000 -2.568) 2.568 18.003 ( -0.273 0.000 -0.796) 0.842 18.004 ( 0.512 0.000 0.416) 0.660 18.058 ( -0.337 0.000 0.756) 0.828 18.068 ( 0.001 0.000 -0.606) 0.606 19.126 ( -1.260 0.000 -0.570) 1.383 19.135 ( -0.256 0.000 -0.092) 0.272 19.244 ( -0.726 0.000 -0.783) 1.068 19.245 ( 1.034 0.000 2.254) 2.480 21.520 ( 2.586 0.000 3.871) 4.656 21.521 ( -2.310 0.000 -6.769) 7.152 21.874 ( -1.175 0.000 -0.013) 1.175 21.902 ( 1.446 0.000 -0.532) 1.541 22.116 ( 0.099 0.000 0.648) 0.655 22.122 ( 0.133 0.000 -0.272) 0.302 22.194 ( -2.038 0.000 1.777) 2.704 22.245 ( 1.791 0.000 -1.119) 2.111 23.940 ( 0.025 0.000 0.226) 0.228 23.943 ( 0.284 0.000 0.190) 0.342 24.018 ( -0.226 0.000 -0.237) 0.327 24.018 ( -0.140 0.000 -0.136) 0.195 27.515 ( -4.491 0.000 -4.428) 6.307 27.542 ( 1.812 0.000 3.180) 3.660 27.746 ( -3.447 0.000 -3.148) 4.668 27.794 ( 4.894 0.000 5.413) 7.297 27.995 ( -3.428 0.000 4.649) 5.777 28.105 ( -2.873 0.000 -13.551) 13.852 28.199 ( 2.212 0.000 9.490) 9.745 28.307 ( 8.013 0.000 -5.105) 9.501 31.467 ( -0.135 0.000 -0.842) 0.853 31.478 ( 1.477 0.000 1.013) 1.791 31.582 ( -0.682 0.000 -0.543) 0.871 31.595 ( 1.447 0.000 1.358) 1.984 31.708 ( -1.111 0.000 -4.731) 4.859 31.709 ( 2.321 0.000 3.614) 4.296 31.838 ( 2.255 0.000 9.278) 9.548 31.889 ( -2.509 0.000 -11.714) 11.980 33.329 ( -0.434 0.000 0.235) 0.494 33.354 ( 1.184 0.000 -1.457) 1.878 33.458 ( -1.720 0.000 -0.118) 1.724 33.468 ( 0.028 0.000 1.405) 1.405 36.398 ( 0.432 0.000 1.497) 1.559 36.403 ( -0.742 0.000 -1.677) 1.834 36.466 ( -0.017 0.000 -1.602) 1.602 36.510 ( 5.274 0.000 0.201) 5.277 36.584 ( 0.960 0.000 0.453) 1.061 36.588 ( 0.246 0.000 -1.208) 1.233 36.888 ( -3.488 0.000 6.293) 7.195 36.975 ( -0.435 0.000 1.028) 1.116 37.080 ( -0.346 0.000 0.511) 0.617 37.127 ( -1.636 0.000 -6.242) 6.453 38.029 ( 7.046 0.000 21.017) 22.167 38.044 ( -9.300 0.000 -16.074) 18.570 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -14.294 0.000 6.689) 15.782 1.093 ( -23.367 0.000 -0.618) 23.376 1.461 ( 3.935 0.000 4.894) 6.280 1.548 ( -7.918 0.000 -4.871) 9.296 1.549 ( -1.946 0.000 -2.693) 3.322 1.648 ( 2.981 0.000 9.204) 9.675 1.726 ( -10.341 0.000 4.246) 11.179 1.750 ( -3.751 0.000 0.419) 3.774 1.831 ( -13.324 0.000 2.127) 13.493 1.846 ( -8.207 0.000 4.841) 9.529 1.936 ( -8.235 0.000 0.493) 8.250 1.986 ( -11.205 0.000 3.803) 11.833 2.043 ( -1.109 0.000 -7.930) 8.007 2.072 ( -5.857 0.000 3.559) 6.853 2.154 ( -0.138 0.000 -9.731) 9.732 2.156 ( -6.772 0.000 -2.997) 7.406 2.267 ( -5.127 0.000 1.243) 5.276 2.296 ( -3.445 0.000 -1.709) 3.845 2.309 ( 1.581 0.000 -9.543) 9.674 2.362 ( -8.223 0.000 -0.167) 8.225 2.444 ( -5.757 0.000 -3.467) 6.720 2.486 ( -1.096 0.000 3.386) 3.559 2.520 ( 1.527 0.000 -2.474) 2.907 2.557 ( -1.598 0.000 -2.471) 2.943 2.627 ( -1.104 0.000 1.810) 2.120 2.706 ( 2.233 0.000 -1.937) 2.956 2.748 ( -0.732 0.000 -6.217) 6.260 2.778 ( -10.249 0.000 8.547) 13.346 2.948 ( 3.407 0.000 4.043) 5.287 3.003 ( -3.252 0.000 6.671) 7.421 3.011 ( 3.488 0.000 -1.009) 3.631 3.167 ( 4.205 0.000 -0.209) 4.210 3.204 ( 2.348 0.000 -0.604) 2.425 3.204 ( 7.250 0.000 -0.861) 7.301 3.250 ( 4.406 0.000 4.339) 6.184 3.373 ( 0.501 0.000 -3.591) 3.626 3.374 ( 3.220 0.000 0.231) 3.229 3.448 ( -0.755 0.000 -0.151) 0.770 3.496 ( 1.495 0.000 -1.866) 2.391 3.504 ( -2.124 0.000 -1.499) 2.600 3.538 ( 14.962 0.000 0.068) 14.962 3.546 ( -0.527 0.000 0.294) 0.604 3.672 ( -3.847 0.000 -7.099) 8.074 3.685 ( 2.577 0.000 1.487) 2.975 3.768 ( -3.989 0.000 -9.939) 10.710 3.847 ( -1.112 0.000 0.450) 1.199 3.849 ( 6.817 0.000 1.391) 6.957 3.908 ( 0.479 0.000 -1.029) 1.135 4.000 ( -3.234 0.000 0.785) 3.327 4.091 ( -1.212 0.000 3.265) 3.482 4.130 ( 5.759 0.000 -1.441) 5.937 4.180 ( 0.458 0.000 1.399) 1.472 4.196 ( 7.700 0.000 4.655) 8.998 4.343 ( -1.750 0.000 -2.968) 3.446 4.358 ( 3.541 0.000 7.465) 8.262 4.457 ( 0.010 0.000 -5.404) 5.404 4.516 ( -2.807 0.000 -0.084) 2.808 4.680 ( 2.340 0.000 2.200) 3.212 4.688 ( -0.032 0.000 0.456) 0.457 4.714 ( -1.493 0.000 -5.009) 5.227 4.845 ( 0.408 0.000 5.948) 5.962 4.873 ( -1.997 0.000 -3.426) 3.965 4.877 ( 7.260 0.000 4.709) 8.653 4.939 ( 3.308 0.000 4.267) 5.399 5.376 ( -3.941 0.000 -6.247) 7.386 5.553 ( 0.645 0.000 5.027) 5.068 5.605 ( -2.862 0.000 -7.158) 7.709 5.688 ( 0.057 0.000 0.657) 0.659 5.689 ( 1.472 0.000 1.234) 1.921 5.865 ( 3.407 0.000 1.593) 3.761 6.012 ( -0.977 0.000 -0.674) 1.187 6.144 ( 6.080 0.000 0.496) 6.100 8.149 ( -1.046 0.000 -0.488) 1.154 8.210 ( -0.792 0.000 1.564) 1.753 8.236 ( -0.045 0.000 -1.241) 1.242 8.247 ( 0.598 0.000 -0.389) 0.714 8.499 ( -0.326 0.000 -0.024) 0.326 8.524 ( -0.328 0.000 0.562) 0.651 8.556 ( 1.131 0.000 1.005) 1.513 8.562 ( -0.700 0.000 0.314) 0.767 8.600 ( -1.550 0.000 -1.903) 2.454 8.613 ( 0.144 0.000 0.227) 0.269 8.651 ( 2.086 0.000 0.837) 2.247 8.710 ( 1.425 0.000 -0.359) 1.470 8.975 ( 0.405 0.000 0.962) 1.044 9.004 ( -0.188 0.000 -0.502) 0.536 9.004 ( -0.622 0.000 -0.899) 1.093 9.047 ( 2.341 0.000 0.450) 2.383 9.252 ( -0.596 0.000 0.350) 0.691 9.271 ( -0.823 0.000 -0.123) 0.832 9.381 ( 1.532 0.000 1.351) 2.043 9.382 ( 0.902 0.000 -1.455) 1.712 10.292 ( -2.560 0.000 -1.044) 2.765 10.312 ( -1.891 0.000 -1.155) 2.216 10.379 ( -0.727 0.000 -0.991) 1.229 10.388 ( -0.794 0.000 1.859) 2.022 10.498 ( 0.260 0.000 0.275) 0.378 10.528 ( 0.556 0.000 1.277) 1.393 10.618 ( -0.579 0.000 -0.133) 0.594 10.619 ( -0.524 0.000 1.480) 1.570 10.855 ( 0.304 0.000 0.289) 0.420 10.873 ( 0.939 0.000 -0.232) 0.967 10.918 ( 1.205 0.000 0.749) 1.419 10.920 ( 1.177 0.000 -0.852) 1.453 13.295 ( -0.520 0.000 -0.211) 0.561 13.302 ( 0.083 0.000 -0.493) 0.500 13.364 ( -0.045 0.000 -0.081) 0.093 13.377 ( -0.166 0.000 0.280) 0.326 14.297 ( 0.233 0.000 0.086) 0.249 14.315 ( 1.117 0.000 1.141) 1.597 14.360 ( -0.978 0.000 -0.679) 1.191 14.401 ( 0.136 0.000 -0.610) 0.625 14.439 ( -0.285 0.000 -0.013) 0.285 14.532 ( 1.523 0.000 0.840) 1.739 14.561 ( -0.696 0.000 -1.730) 1.865 14.691 ( 0.434 0.000 0.301) 0.528 14.725 ( -0.429 0.000 -0.726) 0.843 14.760 ( -5.341 0.000 -9.202) 10.639 14.804 ( 0.658 0.000 1.418) 1.564 14.877 ( -0.672 0.000 -0.056) 0.674 14.882 ( -0.396 0.000 0.707) 0.810 15.056 ( -1.062 0.000 -0.867) 1.371 15.109 ( 0.317 0.000 1.057) 1.103 15.110 ( 0.587 0.000 -1.421) 1.538 15.137 ( 1.197 0.000 -0.400) 1.262 15.182 ( 0.649 0.000 -0.877) 1.091 15.209 ( 1.294 0.000 1.070) 1.678 15.224 ( 2.121 0.000 5.100) 5.523 18.000 ( 0.361 0.000 0.073) 0.369 18.016 ( 0.181 0.000 0.376) 0.417 18.057 ( -0.653 0.000 -0.613) 0.896 18.064 ( 0.008 0.000 1.161) 1.161 19.080 ( -2.117 0.000 -1.570) 2.635 19.115 ( -1.402 0.000 -0.190) 1.415 19.233 ( -0.456 0.000 0.327) 0.561 19.292 ( 1.432 0.000 1.108) 1.811 21.421 ( -2.578 0.000 -2.883) 3.867 21.607 ( 2.283 0.000 4.652) 5.182 21.861 ( -0.627 0.000 1.009) 1.188 21.930 ( 1.625 0.000 -0.090) 1.628 22.104 ( -1.742 0.000 -0.791) 1.913 22.122 ( 0.151 0.000 -0.294) 0.331 22.185 ( -0.599 0.000 2.305) 2.381 22.266 ( 1.584 0.000 -1.587) 2.242 23.957 ( 0.918 0.000 1.159) 1.478 23.964 ( 1.062 0.000 1.136) 1.555 23.998 ( -1.069 0.000 -1.195) 1.603 24.000 ( -1.006 0.000 -1.050) 1.454 27.398 ( -3.267 0.000 -2.416) 4.064 27.524 ( -2.450 0.000 -1.029) 2.658 27.713 ( -2.356 0.000 -3.752) 4.430 27.832 ( -7.316 0.000 -8.765) 11.417 27.858 ( -5.354 0.000 1.630) 5.596 28.014 ( 6.643 0.000 4.750) 8.166 28.356 ( 1.064 0.000 12.102) 12.149 28.494 ( 12.483 0.000 -5.679) 13.714 31.469 ( 1.247 0.000 -1.210) 1.737 31.516 ( 1.271 0.000 0.979) 1.605 31.581 ( 0.734 0.000 -0.215) 0.765 31.619 ( -2.444 0.000 -7.317) 7.714 31.636 ( 0.561 0.000 1.372) 1.482 31.773 ( 1.061 0.000 3.074) 3.252 31.801 ( 3.019 0.000 -5.648) 6.404 31.958 ( 0.154 0.000 10.731) 10.732 33.322 ( -0.358 0.000 -0.058) 0.363 33.358 ( 0.221 0.000 -1.378) 1.395 33.421 ( -1.556 0.000 0.028) 1.556 33.473 ( -0.630 0.000 1.132) 1.295 36.384 ( 0.376 0.000 -1.372) 1.423 36.433 ( 1.754 0.000 1.476) 2.292 36.479 ( 1.728 0.000 0.243) 1.745 36.577 ( 0.756 0.000 -0.162) 0.773 36.589 ( 0.889 0.000 -0.743) 1.159 36.684 ( 8.768 0.000 0.891) 8.813 36.871 ( -2.095 0.000 3.063) 3.711 36.953 ( -2.744 0.000 1.432) 3.095 37.021 ( -3.210 0.000 -4.478) 5.509 37.048 ( -2.744 0.000 -0.234) 2.754 37.706 ( -10.806 0.000 -15.163) 18.619 38.345 ( 7.369 0.000 14.042) 15.858 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.854 0.000 18.509) 18.529 0.738 ( -11.602 0.000 16.572) 20.230 1.403 ( -7.213 0.000 -1.754) 7.423 1.424 ( -15.974 0.000 16.110) 22.687 1.474 ( -2.597 0.000 -2.995) 3.964 1.509 ( -14.517 0.000 6.455) 15.888 1.600 ( -6.860 0.000 -0.903) 6.919 1.604 ( -6.066 0.000 -2.881) 6.715 1.714 ( -0.487 0.000 2.579) 2.624 1.730 ( -5.853 0.000 -5.885) 8.301 1.806 ( -6.342 0.000 0.182) 6.344 1.881 ( -2.600 0.000 -6.856) 7.332 1.979 ( -9.274 0.000 -4.148) 10.160 1.988 ( -4.420 0.000 -5.278) 6.885 2.013 ( 1.449 0.000 -4.472) 4.701 2.075 ( -0.693 0.000 9.346) 9.371 2.188 ( 0.898 0.000 -6.703) 6.762 2.198 ( -2.191 0.000 -0.269) 2.208 2.233 ( 1.437 0.000 1.138) 1.833 2.275 ( 0.958 0.000 -6.651) 6.720 2.408 ( -2.835 0.000 0.126) 2.838 2.478 ( -5.656 0.000 -0.570) 5.685 2.481 ( 0.798 0.000 0.217) 0.827 2.578 ( 1.054 0.000 -4.694) 4.811 2.580 ( -3.887 0.000 -4.048) 5.612 2.657 ( -4.311 0.000 -4.207) 6.023 2.680 ( 0.550 0.000 6.521) 6.544 2.705 ( 2.132 0.000 -3.509) 4.106 2.950 ( 0.042 0.000 1.425) 1.425 3.088 ( 1.558 0.000 -4.256) 4.532 3.107 ( -0.120 0.000 12.214) 12.214 3.209 ( 2.849 0.000 -2.446) 3.755 3.263 ( 2.739 0.000 -0.087) 2.741 3.271 ( -6.720 0.000 -1.801) 6.957 3.321 ( 1.307 0.000 -3.270) 3.522 3.355 ( -2.614 0.000 2.772) 3.810 3.418 ( 9.364 0.000 -0.750) 9.394 3.433 ( 2.860 0.000 0.493) 2.902 3.492 ( -1.953 0.000 1.601) 2.525 3.542 ( 3.218 0.000 1.587) 3.588 3.559 ( 1.160 0.000 -1.963) 2.280 3.573 ( 5.210 0.000 -0.616) 5.247 3.709 ( 2.752 0.000 -3.396) 4.371 3.714 ( 0.463 0.000 -0.531) 0.705 3.812 ( 9.218 0.000 1.615) 9.359 3.868 ( -3.282 0.000 0.213) 3.289 3.899 ( 4.786 0.000 -0.135) 4.788 3.939 ( -0.897 0.000 -0.738) 1.162 3.993 ( 0.827 0.000 2.572) 2.702 4.064 ( -2.709 0.000 3.271) 4.248 4.162 ( -0.921 0.000 -3.539) 3.656 4.186 ( -0.222 0.000 -1.237) 1.257 4.258 ( 0.598 0.000 -4.631) 4.670 4.380 ( -3.379 0.000 -4.188) 5.381 4.395 ( 1.300 0.000 5.160) 5.321 4.476 ( 3.423 0.000 3.087) 4.610 4.481 ( -0.169 0.000 6.063) 6.065 4.624 ( -4.130 0.000 -1.308) 4.332 4.644 ( -1.436 0.000 -2.172) 2.604 4.773 ( 2.948 0.000 0.387) 2.973 4.819 ( -1.797 0.000 -3.298) 3.756 4.832 ( 2.152 0.000 -0.138) 2.157 4.972 ( -2.942 0.000 -4.560) 5.427 5.163 ( 10.859 0.000 9.010) 14.110 5.293 ( 0.506 0.000 1.375) 1.465 5.424 ( -8.018 0.000 -7.656) 11.086 5.543 ( -4.017 0.000 0.702) 4.078 5.715 ( 1.864 0.000 0.896) 2.068 5.739 ( 1.238 0.000 1.645) 2.059 5.860 ( -3.952 0.000 -3.679) 5.399 6.021 ( 2.190 0.000 1.599) 2.712 6.230 ( 3.005 0.000 -6.683) 7.327 8.134 ( -0.078 0.000 -0.373) 0.381 8.177 ( -2.218 0.000 -0.304) 2.239 8.247 ( 0.973 0.000 0.491) 1.090 8.258 ( 0.606 0.000 -0.087) 0.613 8.505 ( 0.295 0.000 0.311) 0.428 8.522 ( -0.399 0.000 0.169) 0.433 8.541 ( -0.956 0.000 -0.089) 0.960 8.555 ( -1.108 0.000 -1.088) 1.553 8.607 ( 1.900 0.000 0.984) 2.140 8.643 ( 1.802 0.000 3.236) 3.703 8.687 ( 0.774 0.000 -0.981) 1.250 8.726 ( 0.918 0.000 -0.184) 0.936 8.978 ( -0.781 0.000 -0.525) 0.941 8.997 ( 0.010 0.000 -0.844) 0.844 9.010 ( 1.378 0.000 1.721) 2.205 9.086 ( 1.317 0.000 -0.225) 1.336 9.247 ( -0.359 0.000 0.450) 0.575 9.255 ( -0.519 0.000 -0.197) 0.555 9.406 ( 2.832 0.000 0.504) 2.876 9.421 ( 0.978 0.000 1.609) 1.883 10.246 ( -0.881 0.000 -0.479) 1.002 10.276 ( -0.661 0.000 0.015) 0.661 10.353 ( -1.023 0.000 -0.977) 1.415 10.366 ( -3.349 0.000 0.683) 3.418 10.507 ( 0.338 0.000 0.421) 0.540 10.552 ( 0.666 0.000 0.516) 0.842 10.585 ( -0.677 0.000 -1.766) 1.892 10.621 ( -1.203 0.000 2.012) 2.345 10.871 ( 0.980 0.000 0.248) 1.011 10.897 ( 1.545 0.000 -0.219) 1.561 10.919 ( -0.222 0.000 -1.055) 1.078 10.936 ( -0.042 0.000 0.434) 0.436 13.279 ( -0.542 0.000 -0.523) 0.753 13.296 ( -0.168 0.000 -0.818) 0.835 13.368 ( 0.242 0.000 0.349) 0.425 13.374 ( -0.156 0.000 0.106) 0.188 14.298 ( -0.092 0.000 -0.290) 0.304 14.328 ( -1.178 0.000 -1.128) 1.631 14.354 ( 1.206 0.000 1.448) 1.884 14.395 ( 0.047 0.000 -0.407) 0.409 14.456 ( 1.025 0.000 1.823) 2.092 14.554 ( 0.686 0.000 0.401) 0.795 14.565 ( 1.073 0.000 -0.037) 1.074 14.684 ( -0.010 0.000 -0.482) 0.483 14.704 ( 5.060 0.000 2.031) 5.452 14.724 ( 0.435 0.000 -0.027) 0.436 14.829 ( 1.317 0.000 2.009) 2.402 14.874 ( 0.600 0.000 1.290) 1.423 14.875 ( -0.769 0.000 0.163) 0.786 15.036 ( -0.128 0.000 0.223) 0.257 15.103 ( 0.266 0.000 -2.070) 2.087 15.127 ( 0.479 0.000 1.495) 1.570 15.139 ( -0.247 0.000 -0.168) 0.299 15.179 ( 0.122 0.000 -0.597) 0.610 15.241 ( 0.810 0.000 0.171) 0.828 15.291 ( 0.186 0.000 2.198) 2.206 18.014 ( 0.740 0.000 0.425) 0.853 18.019 ( -0.127 0.000 0.306) 0.331 18.032 ( -1.214 0.000 -0.581) 1.346 18.060 ( -1.169 0.000 -0.395) 1.234 19.031 ( -1.177 0.000 -1.600) 1.987 19.078 ( -2.141 0.000 -1.259) 2.483 19.227 ( -0.508 0.000 0.521) 0.728 19.277 ( -2.911 0.000 -1.843) 3.446 21.463 ( 7.526 0.000 6.381) 9.867 21.680 ( 0.655 0.000 4.187) 4.238 21.866 ( -0.139 0.000 1.799) 1.804 21.962 ( 1.559 0.000 0.303) 1.588 22.045 ( -3.303 0.000 -0.873) 3.417 22.110 ( -0.706 0.000 -1.569) 1.721 22.202 ( -0.099 0.000 2.453) 2.455 22.276 ( 1.211 0.000 -2.256) 2.560 23.963 ( -1.057 0.000 -1.067) 1.502 23.964 ( -1.061 0.000 -1.312) 1.687 23.994 ( 0.988 0.000 1.171) 1.532 23.996 ( 1.047 0.000 1.208) 1.598 27.374 ( 1.168 0.000 2.097) 2.400 27.497 ( 0.051 0.000 0.657) 0.659 27.661 ( 9.198 0.000 7.664) 11.972 27.749 ( -2.920 0.000 -1.378) 3.229 27.749 ( -4.592 0.000 -2.146) 5.069 28.212 ( 5.856 0.000 9.460) 11.126 28.401 ( -7.200 0.000 8.794) 11.366 28.627 ( 7.444 0.000 -9.485) 12.057 31.493 ( 2.178 0.000 -1.018) 2.404 31.536 ( -0.570 0.000 1.098) 1.238 31.546 ( 1.739 0.000 -0.886) 1.951 31.598 ( 0.883 0.000 -0.066) 0.886 31.643 ( -0.086 0.000 0.084) 0.120 31.790 ( -2.334 0.000 2.371) 3.327 31.885 ( 8.384 0.000 -3.074) 8.930 32.007 ( -4.600 0.000 8.667) 9.812 33.315 ( -0.101 0.000 -0.323) 0.338 33.330 ( -1.730 0.000 -0.220) 1.744 33.419 ( 1.126 0.000 -0.158) 1.137 33.465 ( -1.070 0.000 0.639) 1.246 36.397 ( 1.805 0.000 -0.105) 1.808 36.482 ( 1.494 0.000 0.799) 1.694 36.528 ( 1.979 0.000 2.037) 2.840 36.578 ( 0.374 0.000 -1.237) 1.292 36.612 ( 1.419 0.000 0.877) 1.669 36.768 ( -2.820 0.000 3.502) 4.496 36.856 ( -1.022 0.000 -3.694) 3.833 36.890 ( -6.613 0.000 4.560) 8.033 37.007 ( 1.459 0.000 -3.536) 3.825 37.104 ( 17.480 0.000 -0.300) 17.482 37.376 ( -10.201 0.000 -10.990) 14.995 38.371 ( -13.695 0.000 -9.438) 16.632 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 4.877 -5.946 22.288) 23.578 1.076 ( 0.802 4.481 20.313) 20.817 1.135 ( -3.452 -9.001 -11.142) 14.734 1.256 ( -0.552 -6.693 -5.200) 8.494 1.306 ( -1.229 -11.416 -8.031) 14.011 1.410 ( -6.797 -3.544 -8.372) 11.351 1.437 ( 10.948 -5.749 -1.881) 12.508 1.518 ( -3.507 -2.192 -3.270) 5.273 1.562 ( -2.194 5.668 7.176) 9.404 1.626 ( 1.246 3.413 1.110) 3.799 1.733 ( -1.325 1.111 1.909) 2.575 1.815 ( -3.451 -5.079 -3.569) 7.103 1.872 ( -1.331 5.384 6.918) 8.866 1.964 ( -0.252 6.680 -0.157) 6.686 2.090 ( 3.168 1.828 -1.422) 3.924 2.123 ( -1.831 -0.640 -1.030) 2.197 2.154 ( -1.397 0.715 1.821) 2.404 2.205 ( 0.407 -0.186 4.659) 4.680 2.254 ( 4.298 2.902 -8.369) 9.846 2.302 ( -4.332 2.057 -6.102) 7.761 2.372 ( -0.344 -0.099 2.068) 2.099 2.387 ( 1.958 1.711 -0.013) 2.600 2.480 ( 0.096 -1.508 -2.062) 2.556 2.505 ( 2.057 -2.199 -2.498) 3.913 2.631 ( -3.085 5.694 3.444) 7.335 2.672 ( 0.470 7.190 1.244) 7.312 2.734 ( 1.674 -0.512 1.645) 2.402 2.799 ( -0.663 2.826 -4.094) 5.018 3.015 ( 2.652 0.461 2.924) 3.975 3.030 ( -2.179 -1.250 -0.180) 2.518 3.089 ( 2.940 -1.144 4.684) 5.647 3.126 ( -5.455 -3.911 0.266) 6.718 3.213 ( 0.471 0.945 5.950) 6.043 3.271 ( -1.644 0.464 -0.966) 1.962 3.323 ( 1.304 1.941 2.344) 3.311 3.398 ( 3.872 -5.324 0.851) 6.638 3.444 ( -0.061 2.661 -1.634) 3.123 3.500 ( -1.118 0.096 -3.412) 3.592 3.515 ( -0.662 -4.040 0.197) 4.098 3.569 ( -1.691 0.963 -3.524) 4.025 3.644 ( 3.516 4.458 -1.591) 5.896 3.656 ( -0.227 3.816 -1.343) 4.052 3.709 ( 1.610 0.448 2.714) 3.187 3.787 ( -0.981 2.604 -4.510) 5.299 3.850 ( -1.785 -0.574 1.027) 2.137 3.874 ( 1.090 -1.526 -0.709) 2.005 3.902 ( 3.913 2.546 3.693) 5.952 3.972 ( -1.382 -2.440 -2.543) 3.785 4.001 ( 0.007 -1.758 0.746) 1.910 4.046 ( -0.973 -1.901 -2.308) 3.145 4.108 ( 1.317 -0.504 1.031) 1.747 4.160 ( -2.496 1.325 -2.745) 3.940 4.291 ( 4.573 2.110 0.196) 5.040 4.319 ( -5.114 1.773 -1.761) 5.692 4.354 ( -1.739 -2.604 3.675) 4.828 4.449 ( 0.967 -7.123 -5.675) 9.158 4.579 ( 2.437 1.931 3.070) 4.370 4.606 ( -0.819 3.421 1.860) 3.979 4.695 ( 3.846 0.386 2.868) 4.813 4.742 ( -0.559 -0.103 -0.411) 0.702 4.749 ( -1.706 -0.654 -1.170) 2.169 4.837 ( -2.654 1.768 -7.219) 7.892 4.928 ( 5.260 -4.294 6.716) 9.551 5.036 ( -9.503 -4.900 -4.794) 11.717 5.418 ( 6.581 1.652 4.404) 8.089 5.484 ( -3.938 3.093 -2.076) 5.421 5.511 ( 7.689 -0.492 7.652) 10.859 5.655 ( -5.304 -2.465 -6.279) 8.581 5.770 ( -0.134 1.410 0.187) 1.428 5.777 ( -0.978 1.397 -0.954) 1.954 6.035 ( 1.231 -3.752 2.029) 4.440 6.060 ( -3.429 -5.525 -0.382) 6.514 8.141 ( 0.163 0.073 0.018) 0.180 8.142 ( -0.318 0.072 -0.087) 0.338 8.257 ( -0.048 -0.304 0.138) 0.338 8.260 ( 0.171 -0.307 -0.234) 0.422 8.534 ( 0.370 0.755 0.178) 0.860 8.540 ( -0.940 1.059 -0.516) 1.507 8.561 ( 0.291 3.328 0.710) 3.416 8.571 ( 0.423 3.038 -0.221) 3.076 8.633 ( 0.302 0.137 0.758) 0.827 8.647 ( -1.201 -1.138 -0.842) 1.856 8.697 ( 0.701 -0.872 2.349) 2.602 8.726 ( 0.076 -1.294 -0.726) 1.486 8.970 ( -0.038 0.263 0.475) 0.544 8.984 ( -0.196 -0.073 -0.891) 0.915 9.039 ( 0.811 -1.017 1.300) 1.839 9.062 ( -0.728 -1.713 -1.103) 2.163 9.279 ( 0.458 2.737 0.629) 2.845 9.290 ( -0.519 3.157 -0.600) 3.255 9.417 ( -0.118 -1.867 1.158) 2.200 9.436 ( 0.928 -2.330 -0.724) 2.610 10.258 ( 1.475 -0.149 0.649) 1.619 10.272 ( -0.512 -0.035 -0.727) 0.890 10.295 ( -0.334 -0.850 0.910) 1.289 10.318 ( -0.034 -0.925 -1.493) 1.756 10.518 ( 0.107 0.140 0.787) 0.806 10.534 ( -0.330 -0.083 -0.793) 0.863 10.579 ( -1.387 -1.631 0.543) 2.209 10.586 ( 1.452 -2.013 -0.056) 2.483 10.900 ( -0.233 0.562 0.313) 0.684 10.909 ( -0.369 0.734 -0.640) 1.042 10.927 ( 0.994 0.059 0.079) 0.999 10.937 ( -0.240 0.475 -0.963) 1.100 13.280 ( 0.075 0.592 -0.080) 0.602 13.286 ( -0.347 0.353 -0.707) 0.863 13.380 ( 0.031 0.434 0.231) 0.493 13.382 ( 0.138 0.414 0.061) 0.441 14.296 ( 0.015 0.062 -0.202) 0.211 14.299 ( -0.557 -0.076 -0.530) 0.772 14.374 ( 0.406 -0.472 0.839) 1.045 14.384 ( 0.344 -0.870 -0.153) 0.948 14.507 ( 1.385 0.964 1.834) 2.492 14.546 ( -1.441 0.799 -2.061) 2.639 14.575 ( 0.679 -1.760 1.060) 2.164 14.609 ( -1.259 -1.652 -2.097) 2.951 14.801 ( 3.786 3.915 3.349) 6.393 14.853 ( -2.580 2.799 -1.799) 4.210 14.861 ( 0.784 -0.044 1.081) 1.336 14.887 ( -1.387 3.328 -1.739) 4.003 15.011 ( 3.147 -1.656 1.083) 3.717 15.040 ( -2.685 -1.886 -1.844) 3.764 15.105 ( 2.041 1.514 1.224) 2.821 15.130 ( -0.528 0.618 -1.108) 1.374 15.158 ( 0.194 0.081 1.618) 1.632 15.183 ( -0.281 -0.359 -0.928) 1.034 15.246 ( 2.640 0.463 1.052) 2.880 15.279 ( -1.782 0.476 -2.220) 2.886 18.009 ( -0.439 -0.252 0.175) 0.535 18.011 ( 0.026 -0.286 0.013) 0.287 18.029 ( 0.628 -0.098 -0.305) 0.705 18.032 ( 0.218 -0.248 -0.551) 0.642 19.008 ( -0.355 -0.603 -0.803) 1.065 19.011 ( 0.515 -0.546 -1.123) 1.350 19.213 ( -1.130 -0.469 1.227) 1.733 19.219 ( 0.122 -0.676 0.544) 0.877 21.564 ( 3.068 -5.806 2.791) 7.136 21.585 ( -0.976 -6.021 0.295) 6.107 21.992 ( -1.114 3.753 1.964) 4.380 22.016 ( 0.998 0.574 -0.114) 1.157 22.061 ( 1.364 2.674 -0.563) 3.054 22.094 ( -0.689 2.772 -2.922) 4.086 22.263 ( -0.014 3.685 0.472) 3.715 22.292 ( 0.416 1.781 -2.163) 2.832 23.941 ( -0.408 0.091 -0.392) 0.573 23.942 ( -0.314 0.044 -0.487) 0.581 24.020 ( 0.322 0.205 0.478) 0.611 24.021 ( 0.386 0.203 0.376) 0.576 27.546 ( 4.478 5.641 4.426) 8.454 27.600 ( -1.189 6.789 -0.492) 6.910 27.693 ( -0.108 3.063 0.599) 3.123 27.718 ( -1.333 3.058 -2.656) 4.264 28.137 ( -13.598 -4.819 2.180) 14.591 28.164 ( 11.499 -4.002 0.709) 12.196 28.433 ( 9.337 4.443 1.804) 10.497 28.591 ( -0.372 -1.033 -11.925) 11.975 31.519 ( -1.290 0.198 0.255) 1.330 31.527 ( 1.503 -0.084 -0.621) 1.628 31.607 ( 0.635 0.229 0.837) 1.076 31.625 ( -0.696 0.647 -0.914) 1.319 31.659 ( 3.017 -2.416 1.780) 4.255 31.694 ( -3.020 -2.274 -2.155) 4.352 32.045 ( -1.855 6.604 1.140) 6.953 32.104 ( 9.029 4.071 -5.032) 11.109 33.316 ( -0.786 0.683 0.396) 1.113 33.325 ( 0.618 0.777 -0.576) 1.148 33.418 ( -2.165 -1.529 1.344) 2.972 33.430 ( 1.351 -1.335 0.018) 1.899 36.445 ( 2.196 -0.654 0.828) 2.436 36.459 ( -1.573 -0.751 -0.708) 1.882 36.534 ( 1.023 -1.741 0.999) 2.254 36.547 ( -1.152 -2.062 -0.462) 2.407 36.692 ( 1.098 1.541 2.763) 3.349 36.713 ( 0.757 -0.182 0.986) 1.257 36.875 ( -2.615 2.980 0.665) 4.020 36.892 ( -2.562 3.333 -1.966) 4.641 37.089 ( -8.149 2.578 0.501) 8.561 37.131 ( 7.533 5.738 -2.838) 9.885 37.499 ( -21.117 -12.910 4.045) 25.079 37.519 ( 13.559 -9.619 1.361) 16.680 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.325 -2.399 -17.070) 17.289 1.043 ( 3.575 -7.722 18.600) 20.454 1.212 ( 1.746 -0.344 -5.397) 5.683 1.336 ( 10.301 1.311 0.134) 10.385 1.351 ( 8.797 -13.164 4.311) 16.409 1.461 ( 10.374 2.396 1.236) 10.719 1.550 ( 7.869 -4.202 1.078) 8.986 1.595 ( 4.484 3.228 3.295) 6.433 1.700 ( 10.379 -0.354 -1.666) 10.518 1.752 ( 6.143 -4.720 -6.637) 10.201 1.791 ( 8.842 -0.253 1.045) 8.907 1.876 ( 7.319 -5.651 6.848) 11.506 1.916 ( 2.533 4.150 7.371) 8.830 2.022 ( -3.709 2.551 0.451) 4.524 2.033 ( 1.956 4.764 5.352) 7.427 2.074 ( -5.710 2.627 1.961) 6.584 2.132 ( 1.347 -0.707 -3.250) 3.588 2.156 ( -0.873 1.134 -7.569) 7.703 2.280 ( 3.001 1.030 -2.530) 4.058 2.322 ( 5.595 -1.042 3.979) 6.944 2.415 ( 1.665 4.777 0.134) 5.061 2.452 ( 3.301 -1.061 -5.483) 6.487 2.486 ( 5.800 -0.043 3.095) 6.574 2.509 ( 0.839 1.134 -1.046) 1.756 2.633 ( -0.289 1.603 2.027) 2.600 2.674 ( 0.058 3.101 -2.317) 3.871 2.723 ( 1.222 8.242 1.768) 8.518 2.897 ( 6.330 1.445 -2.373) 6.913 2.961 ( -2.912 0.484 0.616) 3.016 2.975 ( -5.750 -1.399 -2.424) 6.395 3.079 ( -1.264 -1.497 4.246) 4.676 3.175 ( -0.037 -1.027 3.614) 3.757 3.243 ( 0.955 -2.095 -1.853) 2.955 3.268 ( -2.812 0.534 -3.876) 4.818 3.320 ( 2.871 -1.816 3.104) 4.602 3.390 ( -2.087 4.439 0.034) 4.906 3.431 ( -0.997 0.557 -2.488) 2.738 3.450 ( -3.665 -1.815 -0.759) 4.160 3.488 ( -3.028 -1.479 0.252) 3.380 3.529 ( -3.094 2.395 1.998) 4.393 3.574 ( -5.021 -0.488 -3.189) 5.969 3.633 ( -3.045 2.796 -3.270) 5.271 3.705 ( 1.673 1.510 -0.367) 2.283 3.759 ( -4.330 2.818 -0.338) 5.177 3.846 ( -1.779 -1.216 0.042) 2.155 3.869 ( -4.641 0.177 0.250) 4.651 3.889 ( 0.910 0.281 -0.184) 0.970 3.921 ( -0.983 -1.036 -1.868) 2.351 3.975 ( -2.529 -3.966 -1.002) 4.809 4.019 ( -1.111 -4.880 1.750) 5.302 4.083 ( 0.197 -0.912 -1.131) 1.466 4.177 ( 1.505 -0.698 4.012) 4.342 4.249 ( -0.971 1.137 -1.263) 1.957 4.309 ( -2.763 -1.729 2.143) 3.901 4.429 ( 1.437 -2.900 -0.989) 3.384 4.479 ( 5.855 -2.582 2.551) 6.889 4.595 ( 0.185 2.141 -3.928) 4.478 4.633 ( 0.074 2.351 0.272) 2.367 4.669 ( -1.159 1.257 -3.621) 4.005 4.765 ( 0.392 2.460 -2.494) 3.525 4.774 ( 1.272 -0.702 1.101) 1.823 4.800 ( -0.507 -0.950 3.819) 3.968 4.901 ( 1.516 1.395 2.844) 3.511 5.116 ( 4.420 -5.333 7.663) 10.330 5.350 ( -4.687 1.967 -4.069) 6.511 5.444 ( -6.188 -1.236 -9.466) 11.377 5.576 ( 5.761 2.696 1.262) 6.485 5.692 ( 2.596 -2.885 2.490) 4.612 5.742 ( -1.494 0.647 0.507) 1.705 5.793 ( 0.970 -0.139 2.515) 2.699 6.002 ( -1.914 -1.768 0.892) 2.754 6.073 ( -0.389 -3.524 3.122) 4.724 8.136 ( 0.274 0.603 0.050) 0.664 8.164 ( 1.508 -0.470 0.315) 1.610 8.252 ( -0.479 -0.219 -0.072) 0.531 8.255 ( -0.489 -0.248 -0.279) 0.615 8.527 ( -0.304 0.817 0.165) 0.888 8.545 ( -0.131 0.733 0.033) 0.745 8.556 ( -0.216 2.021 -0.061) 2.033 8.574 ( 0.419 2.525 -0.372) 2.586 8.619 ( -1.249 0.203 0.135) 1.273 8.649 ( -0.024 -0.551 1.092) 1.223 8.690 ( -2.028 -1.257 -1.834) 3.009 8.706 ( -1.083 -1.003 0.458) 1.546 8.975 ( 0.069 0.028 -0.030) 0.080 8.980 ( 0.139 0.083 0.500) 0.526 9.032 ( -1.077 -0.646 -1.077) 1.654 9.058 ( -0.201 -1.438 0.782) 1.649 9.274 ( -0.346 2.223 -0.288) 2.268 9.296 ( 0.448 3.044 0.374) 3.100 9.388 ( -2.377 -1.701 -0.323) 2.941 9.433 ( -0.703 -2.043 -0.973) 2.370 10.258 ( 1.034 0.840 -0.985) 1.657 10.280 ( 0.689 -0.177 -0.319) 0.780 10.326 ( 1.473 -0.664 0.925) 1.862 10.352 ( 3.745 -1.739 -0.609) 4.174 10.523 ( -0.075 0.352 -0.728) 0.812 10.534 ( 0.855 -0.164 1.335) 1.594 10.558 ( -0.672 -0.527 0.144) 0.866 10.613 ( 0.860 -2.819 -0.129) 2.950 10.887 ( -1.162 0.852 0.331) 1.478 10.901 ( -0.519 0.727 0.280) 0.936 10.921 ( -0.466 0.662 -0.624) 1.022 10.938 ( 0.042 -0.356 -0.215) 0.418 13.282 ( 0.300 0.615 0.034) 0.686 13.288 ( 0.437 0.424 0.479) 0.774 13.380 ( -0.126 0.466 -0.115) 0.496 13.383 ( 0.075 0.486 -0.188) 0.526 14.295 ( 0.168 0.116 0.234) 0.311 14.306 ( 0.841 -0.325 0.753) 1.175 14.371 ( -0.948 -0.680 -1.223) 1.690 14.373 ( -0.670 -0.833 -0.140) 1.078 14.498 ( -1.009 1.118 -1.315) 1.999 14.551 ( 0.332 0.331 0.547) 0.720 14.583 ( 0.885 -0.879 -0.162) 1.258 14.617 ( 1.521 -0.941 2.180) 2.820 14.753 ( -4.051 3.685 -3.115) 6.300 14.847 ( -1.994 -1.008 -2.052) 3.034 14.877 ( 0.595 1.416 0.371) 1.580 14.894 ( 0.868 5.522 2.898) 6.296 14.945 ( -3.460 2.136 -1.847) 4.465 15.061 ( 1.014 -1.050 1.153) 1.860 15.079 ( -2.466 2.666 -3.084) 4.764 15.130 ( -0.001 0.090 0.571) 0.578 15.158 ( -1.307 -0.049 -1.343) 1.874 15.164 ( -0.680 -0.111 1.383) 1.545 15.197 ( -1.287 -1.780 0.032) 2.197 15.306 ( 0.202 -2.119 -0.102) 2.131 18.014 ( 0.317 -0.295 0.264) 0.507 18.028 ( 0.696 -0.083 -0.455) 0.836 18.031 ( 0.450 -0.134 -0.972) 1.080 18.034 ( 0.922 -0.872 0.380) 1.325 19.017 ( 1.835 -0.035 -0.377) 1.873 19.041 ( 2.531 -1.200 -0.036) 2.801 19.216 ( 0.009 -0.264 1.151) 1.181 19.238 ( 1.195 -1.241 0.699) 1.859 21.513 ( -3.433 -1.929 -2.501) 4.665 21.622 ( 1.114 -7.707 -1.226) 7.883 21.939 ( -2.909 2.628 0.267) 3.929 22.001 ( -2.322 -0.853 -1.287) 2.789 22.101 ( 2.522 3.681 0.190) 4.466 22.110 ( 2.185 2.898 -0.016) 3.630 22.251 ( -1.745 2.249 1.174) 3.079 22.272 ( -0.618 1.739 -1.684) 2.499 23.945 ( 0.616 0.094 0.761) 0.983 23.946 ( 0.682 0.026 0.670) 0.956 24.016 ( -0.636 0.223 -0.678) 0.956 24.017 ( -0.615 0.207 -0.719) 0.968 27.504 ( -3.786 5.237 -3.574) 7.385 27.605 ( -0.752 6.660 -1.756) 6.929 27.717 ( 0.167 -0.038 -2.330) 2.336 27.742 ( 2.594 2.543 1.821) 4.063 27.876 ( -8.082 7.093 2.866) 11.129 28.292 ( -1.914 -10.917 6.314) 12.756 28.413 ( -5.535 1.432 -11.299) 12.663 28.575 ( 4.780 -1.877 -4.744) 6.991 31.493 ( -1.532 1.100 0.296) 1.909 31.541 ( -0.643 -0.314 -0.403) 0.821 31.561 ( -1.980 -0.166 -1.353) 2.404 31.586 ( -2.459 -1.063 -0.363) 2.703 31.641 ( -0.113 0.874 1.050) 1.371 31.733 ( -0.274 -3.919 1.748) 4.300 31.988 ( -2.383 7.770 -3.026) 8.673 32.190 ( 5.488 -0.612 -9.364) 10.871 33.314 ( 0.363 0.105 0.030) 0.379 33.332 ( -0.084 0.013 0.532) 0.539 33.402 ( -0.168 0.160 0.879) 0.909 33.455 ( 1.063 -1.212 0.182) 1.622 36.413 ( -1.493 1.041 -0.634) 1.927 36.507 ( 1.266 0.080 -1.151) 1.713 36.511 ( -0.406 -2.375 -0.458) 2.452 36.562 ( 0.586 -1.255 0.319) 1.421 36.663 ( -4.242 0.871 -2.797) 5.155 36.703 ( 0.102 -2.893 0.919) 3.038 36.819 ( -3.630 2.075 3.304) 5.329 36.913 ( -4.830 0.333 4.397) 6.541 37.009 ( -5.195 -0.868 3.548) 6.351 37.057 ( -5.267 -0.909 6.237) 8.214 37.338 ( 11.940 11.318 -1.596) 16.529 38.006 ( 19.547 -15.380 4.446) 25.266 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.25 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 15.303 7.872 -4.728) 17.847 1.237 ( 7.796 5.884 -4.009) 10.558 1.266 ( 5.409 -3.215 8.794) 10.813 1.486 ( 7.589 -3.214 0.678) 8.269 1.603 ( 6.263 -5.056 1.481) 8.184 1.659 ( 5.274 -3.906 1.923) 6.839 1.701 ( 5.601 -4.823 -4.785) 8.805 1.729 ( -0.705 1.683 3.533) 3.976 1.803 ( 8.830 1.435 5.555) 10.530 1.825 ( -1.713 1.750 1.273) 2.760 1.897 ( 2.486 -2.084 -0.520) 3.285 1.940 ( 2.982 1.593 2.991) 4.514 1.964 ( 3.088 3.095 1.523) 4.630 2.031 ( -3.890 1.606 8.575) 9.552 2.102 ( 9.773 1.086 -1.765) 9.990 2.167 ( 6.780 -4.240 0.041) 7.996 2.229 ( 7.980 -0.913 -1.584) 8.187 2.294 ( 9.145 -1.741 1.911) 9.503 2.321 ( 6.655 -5.201 0.450) 8.458 2.374 ( -1.414 -5.464 0.440) 5.661 2.433 ( 6.527 4.621 -4.437) 9.146 2.492 ( 6.942 7.987 -2.534) 10.882 2.549 ( 3.731 2.246 0.745) 4.418 2.593 ( -2.238 0.737 0.191) 2.364 2.712 ( 1.375 4.749 1.124) 5.070 2.733 ( 2.553 1.235 0.355) 2.858 2.775 ( 4.552 6.358 -4.592) 9.068 2.838 ( 5.772 3.391 -0.389) 6.705 2.921 ( -1.298 -1.821 1.954) 2.970 2.972 ( -3.930 -1.578 1.012) 4.354 3.082 ( -1.246 -4.436 1.199) 4.761 3.150 ( -2.375 -0.635 -1.417) 2.838 3.166 ( 0.017 -4.764 -4.487) 6.544 3.232 ( -6.054 0.878 -6.432) 8.877 3.291 ( -3.004 -1.610 -3.977) 5.237 3.309 ( -2.895 -4.440 -0.963) 5.387 3.361 ( -5.132 5.024 3.487) 7.984 3.427 ( -0.422 -0.789 1.941) 2.137 3.453 ( -2.776 -1.354 1.334) 3.364 3.500 ( 3.060 3.000 3.577) 5.581 3.517 ( -3.815 4.719 4.356) 7.470 3.588 ( -1.221 2.877 -0.720) 3.207 3.623 ( -5.272 2.678 -1.343) 6.064 3.717 ( -2.851 1.768 3.198) 4.635 3.767 ( 1.138 3.636 0.439) 3.835 3.821 ( -1.231 -4.864 -1.911) 5.369 3.848 ( -5.748 -1.734 -1.748) 6.253 3.892 ( 1.451 -4.802 -2.193) 5.475 3.951 ( -1.857 -5.056 -0.629) 5.423 4.019 ( -1.387 -3.280 2.183) 4.177 4.074 ( 0.757 -4.180 -0.950) 4.353 4.196 ( -3.853 1.884 0.629) 4.335 4.263 ( 0.429 -2.971 -2.930) 4.195 4.284 ( -0.956 -3.272 6.629) 7.454 4.409 ( -1.979 3.343 -1.530) 4.176 4.537 ( 1.183 1.075 -0.611) 1.711 4.563 ( 0.851 4.207 -4.027) 5.885 4.614 ( -2.251 -1.030 1.156) 2.732 4.691 ( 2.129 0.436 0.533) 2.238 4.717 ( -2.330 -0.997 -1.719) 3.062 4.799 ( 2.601 1.020 2.856) 3.995 4.851 ( 1.406 1.626 0.529) 2.214 4.977 ( -1.368 1.311 0.829) 2.068 5.073 ( -6.965 -0.740 -8.587) 11.081 5.295 ( 1.652 0.079 1.365) 2.144 5.404 ( 3.813 -5.191 4.900) 8.093 5.646 ( 1.048 1.188 -2.088) 2.621 5.678 ( -2.265 -1.408 -0.329) 2.687 5.730 ( 0.481 2.287 0.781) 2.464 5.837 ( -0.216 -1.997 1.846) 2.729 6.002 ( 0.007 0.962 1.447) 1.738 6.071 ( -2.534 -1.829 2.729) 4.149 8.152 ( 1.267 0.907 0.142) 1.565 8.201 ( 1.641 -0.904 0.680) 1.993 8.236 ( -0.757 0.033 -0.676) 1.015 8.241 ( -0.712 -0.085 0.147) 0.732 8.514 ( -0.508 0.588 -0.733) 1.068 8.538 ( -0.914 -0.192 -0.580) 1.099 8.555 ( 0.574 -0.088 0.146) 0.599 8.594 ( 0.390 1.262 0.555) 1.432 8.597 ( -0.465 1.859 -0.410) 1.959 8.616 ( -1.730 -1.442 -1.688) 2.815 8.651 ( -1.080 -0.540 -0.491) 1.303 8.689 ( -0.978 -1.199 0.554) 1.643 8.983 ( 0.390 -0.230 0.559) 0.720 8.986 ( 0.044 -0.284 0.393) 0.487 9.007 ( -0.545 0.576 -0.599) 0.994 9.044 ( -1.270 -0.890 -0.165) 1.560 9.272 ( 0.262 1.335 -0.122) 1.365 9.302 ( 0.133 2.602 -0.155) 2.610 9.349 ( -1.168 -1.639 0.061) 2.013 9.399 ( -1.542 -1.295 -1.122) 2.305 10.292 ( 2.578 0.940 -0.121) 2.747 10.306 ( 1.834 0.301 0.317) 1.885 10.357 ( 1.004 -0.321 0.641) 1.234 10.398 ( 1.610 -1.580 -1.212) 2.561 10.515 ( -0.076 0.637 -0.932) 1.131 10.543 ( -0.085 -0.488 -1.085) 1.192 10.586 ( 1.557 -0.804 2.010) 2.667 10.618 ( -0.128 -1.983 -0.026) 1.987 10.869 ( -1.016 1.110 0.490) 1.583 10.891 ( -0.483 1.334 0.115) 1.424 10.911 ( -0.561 0.462 0.455) 0.857 10.924 ( -1.051 -0.456 -0.520) 1.259 13.296 ( 0.630 0.717 0.583) 1.119 13.300 ( 0.205 0.647 0.554) 0.876 13.374 ( -0.164 0.608 -0.295) 0.695 13.384 ( 0.242 0.253 -0.221) 0.414 14.300 ( 0.096 0.252 0.008) 0.270 14.335 ( 0.106 -1.233 -0.007) 1.237 14.336 ( -0.202 0.151 -0.277) 0.374 14.359 ( -0.414 -1.299 0.091) 1.367 14.487 ( 0.233 2.180 -0.072) 2.193 14.550 ( 0.331 -0.500 0.347) 0.693 14.607 ( -0.963 4.515 0.732) 4.674 14.664 ( 2.046 0.072 2.232) 3.028 14.693 ( 0.267 0.723 0.482) 0.909 14.749 ( -3.251 -0.036 -2.771) 4.272 14.865 ( -1.570 5.430 0.932) 5.728 14.890 ( 0.296 1.574 -0.122) 1.606 14.961 ( 0.544 5.346 -0.403) 5.388 15.021 ( -0.205 -2.101 -0.834) 2.270 15.086 ( 0.312 -0.078 1.039) 1.088 15.116 ( -1.560 -0.035 0.190) 1.572 15.138 ( -0.497 -0.014 -0.184) 0.530 15.158 ( -1.201 -1.121 0.726) 1.796 15.183 ( -0.229 -1.991 -0.369) 2.038 15.279 ( -1.671 -2.567 -1.556) 3.435 18.007 ( -0.390 -0.090 -0.842) 0.933 18.023 ( -0.074 -0.542 -1.115) 1.242 18.042 ( 0.725 -0.266 0.294) 0.827 18.062 ( 0.821 -0.979 0.230) 1.299 19.062 ( 2.669 0.100 0.232) 2.681 19.090 ( 2.093 -1.272 0.411) 2.483 19.224 ( -0.191 -0.216 0.734) 0.789 19.264 ( 0.462 -1.950 0.389) 2.041 21.443 ( -0.693 0.868 -2.551) 2.782 21.604 ( -0.397 -6.820 -3.406) 7.633 21.899 ( -1.272 1.122 -0.330) 1.728 21.945 ( -1.995 -0.677 -1.411) 2.536 22.136 ( 0.842 3.577 0.143) 3.677 22.146 ( 0.967 2.795 0.953) 3.108 22.227 ( -1.444 0.490 0.652) 1.658 22.244 ( -0.926 0.815 -0.651) 1.395 23.970 ( 0.527 -0.009 0.726) 0.897 23.973 ( 0.821 -0.082 1.026) 1.316 23.990 ( -0.814 0.334 -1.029) 1.353 23.992 ( -0.482 0.255 -0.712) 0.897 27.441 ( -0.651 4.515 -0.151) 4.564 27.580 ( 1.388 3.531 -0.418) 3.817 27.643 ( -0.037 1.283 -1.543) 2.007 27.799 ( 0.827 1.796 0.740) 2.112 27.926 ( 3.430 3.647 4.541) 6.759 28.201 ( -6.008 6.693 -7.958) 12.009 28.243 ( -7.467 -9.883 4.057) 13.034 28.550 ( -1.676 -3.334 -6.070) 7.126 31.468 ( -1.174 1.463 0.544) 1.953 31.513 ( -1.175 0.385 1.226) 1.742 31.550 ( 0.455 -0.762 -0.076) 0.891 31.556 ( -0.789 -1.803 0.003) 1.968 31.648 ( -0.336 0.639 1.075) 1.295 31.709 ( -3.033 -1.670 2.315) 4.165 31.912 ( -2.073 6.559 -3.897) 7.906 32.149 ( 0.072 -2.881 -10.444) 10.835 33.326 ( 0.798 -0.247 -0.311) 0.892 33.333 ( -0.233 -0.357 0.622) 0.754 33.423 ( 1.292 0.987 0.598) 1.733 33.473 ( 0.530 -0.803 0.231) 0.990 36.390 ( -0.540 1.845 0.087) 1.924 36.481 ( -0.619 0.809 -1.867) 2.126 36.484 ( -2.185 -1.094 -1.409) 2.821 36.560 ( -2.705 -1.766 -0.570) 3.280 36.597 ( 0.932 1.024 -0.728) 1.564 36.671 ( -6.149 -0.363 1.402) 6.317 36.770 ( -0.994 -3.749 2.623) 4.682 36.836 ( -0.711 -4.746 -0.196) 4.803 37.032 ( 2.022 5.771 7.862) 9.961 37.216 ( 6.257 1.474 6.139) 8.889 37.535 ( 8.745 10.714 0.934) 13.861 38.257 ( 4.910 -16.293 -2.159) 17.154 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.25 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 10.994 10.708 -2.993) 15.635 1.365 ( 2.245 1.929 1.558) 3.345 1.425 ( 0.182 2.827 1.206) 3.079 1.469 ( -6.685 4.628 -0.848) 8.175 1.670 ( 5.628 -0.997 -3.022) 6.466 1.698 ( 4.910 -0.320 4.532) 6.689 1.756 ( 3.670 -3.933 4.560) 7.052 1.807 ( 2.461 -2.276 0.283) 3.364 1.842 ( -2.665 -3.421 2.361) 4.938 1.902 ( -8.028 -0.141 12.359) 14.738 1.912 ( 3.110 -9.310 -0.249) 9.819 1.979 ( 2.304 -2.572 -0.195) 3.459 2.075 ( 2.109 -2.386 1.704) 3.612 2.143 ( 1.921 2.540 4.830) 5.785 2.201 ( 3.223 -0.728 -5.067) 6.049 2.273 ( -0.217 -2.065 -1.489) 2.555 2.316 ( 5.868 0.966 0.908) 6.016 2.363 ( 2.983 -2.961 0.671) 4.256 2.418 ( 9.079 -1.868 -1.134) 9.339 2.478 ( 3.273 -0.175 -1.372) 3.553 2.565 ( 1.756 2.220 -4.951) 5.703 2.586 ( 1.787 3.599 -2.203) 4.582 2.613 ( 1.286 0.531 3.535) 3.799 2.657 ( 5.083 4.827 2.026) 7.296 2.685 ( 5.399 5.149 -4.215) 8.569 2.745 ( 1.513 3.133 3.359) 4.836 2.817 ( 1.273 2.544 -3.335) 4.383 2.855 ( -5.070 -1.623 1.928) 5.662 2.909 ( 0.631 -3.760 -3.495) 5.172 2.915 ( -6.575 0.551 1.959) 6.883 3.067 ( -1.541 -0.606 2.821) 3.272 3.088 ( 2.344 2.061 -4.317) 5.327 3.122 ( 0.326 -1.595 -0.429) 1.683 3.164 ( -2.330 -1.334 -2.244) 3.499 3.246 ( 2.942 -2.307 -0.308) 3.751 3.253 ( -4.305 3.386 -1.288) 5.626 3.322 ( -6.289 4.924 1.526) 8.132 3.339 ( 2.371 -6.941 0.588) 7.358 3.402 ( -4.915 2.013 0.147) 5.313 3.447 ( -1.822 0.334 -1.268) 2.245 3.544 ( 0.612 -0.218 3.025) 3.094 3.587 ( 0.033 2.392 -0.759) 2.510 3.660 ( -0.102 -2.719 1.608) 3.160 3.699 ( -2.566 -1.929 -0.498) 3.249 3.732 ( -1.222 -0.943 -0.412) 1.597 3.794 ( 0.152 4.048 0.337) 4.064 3.863 ( -0.978 -1.907 -0.668) 2.245 3.897 ( 1.895 -5.679 -0.422) 6.002 3.942 ( 6.806 0.172 6.631) 9.504 4.058 ( -1.911 -1.455 1.756) 2.975 4.074 ( -0.149 2.744 2.675) 3.835 4.111 ( 0.366 -1.653 -0.594) 1.794 4.214 ( 0.280 -3.538 -5.888) 6.875 4.280 ( -3.142 -4.642 0.543) 5.632 4.374 ( -1.589 2.695 -0.898) 3.254 4.519 ( -0.764 3.753 -2.072) 4.354 4.553 ( -1.731 1.155 -1.558) 2.599 4.612 ( 3.130 -2.742 1.444) 4.405 4.680 ( -2.940 2.184 -2.893) 4.667 4.694 ( -0.522 0.827 1.738) 1.995 4.795 ( -5.133 1.437 -1.085) 5.439 4.865 ( -1.966 -0.602 -1.402) 2.489 4.878 ( 0.020 -0.411 -2.425) 2.460 4.957 ( 0.561 -0.340 -3.138) 3.206 5.382 ( 2.685 1.543 5.911) 6.673 5.539 ( 4.232 -4.849 4.685) 7.960 5.608 ( -1.163 0.816 -3.987) 4.233 5.645 ( -1.101 -1.060 0.539) 1.620 5.752 ( 0.769 2.954 0.117) 3.055 5.810 ( -2.523 0.776 -0.926) 2.798 6.009 ( -0.341 -0.368 1.359) 1.449 6.038 ( -2.052 -1.541 0.895) 2.718 8.183 ( 1.594 0.988 0.157) 1.882 8.213 ( -1.120 0.551 -0.020) 1.248 8.227 ( -0.006 -0.461 0.557) 0.723 8.239 ( 0.556 -0.622 -0.108) 0.842 8.506 ( 0.373 -0.406 -0.472) 0.725 8.520 ( -0.333 -0.905 -0.452) 1.065 8.551 ( -0.411 -0.448 -0.587) 0.845 8.566 ( -0.897 -0.296 -1.325) 1.627 8.593 ( -0.112 -0.201 0.296) 0.374 8.612 ( -0.377 -0.752 -0.050) 0.843 8.645 ( 1.054 0.743 0.236) 1.311 8.674 ( -0.915 -0.316 0.174) 0.983 8.986 ( 0.179 0.307 0.057) 0.359 8.994 ( -0.323 -0.095 0.684) 0.762 9.004 ( 0.189 0.046 0.222) 0.295 9.020 ( -0.414 -0.193 -0.643) 0.788 9.278 ( 0.427 0.904 0.031) 1.000 9.297 ( -0.392 1.182 -0.567) 1.368 9.341 ( -0.168 -0.826 0.648) 1.063 9.365 ( -0.620 -0.897 -1.004) 1.483 10.338 ( 1.663 0.591 0.416) 1.813 10.341 ( 1.037 0.307 0.490) 1.188 10.374 ( 0.173 -0.205 0.460) 0.533 10.403 ( 0.381 -0.883 -1.409) 1.706 10.506 ( 0.071 0.534 -0.661) 0.853 10.525 ( -0.665 -0.155 -1.311) 1.478 10.611 ( 0.096 -0.950 0.452) 1.057 10.613 ( -0.313 -1.081 0.219) 1.147 10.861 ( -0.219 0.623 0.722) 0.978 10.892 ( -0.433 0.587 0.548) 0.912 10.893 ( -0.355 0.653 -0.914) 1.178 10.905 ( -0.572 1.244 0.103) 1.373 13.306 ( 0.029 0.815 0.504) 0.958 13.309 ( 0.239 0.654 0.347) 0.778 13.373 ( 0.145 0.614 0.051) 0.633 13.385 ( 0.005 0.174 -0.394) 0.431 14.296 ( -0.271 0.125 -0.363) 0.470 14.306 ( -0.713 -0.224 -0.996) 1.245 14.363 ( 0.441 -0.958 0.889) 1.379 14.364 ( 0.663 -0.710 0.495) 1.091 14.500 ( 0.868 3.137 0.536) 3.298 14.546 ( -0.929 1.576 -0.806) 1.999 14.603 ( 0.495 2.995 1.650) 3.455 14.670 ( -1.414 -0.641 -1.127) 1.919 14.743 ( 1.841 1.061 2.550) 3.320 14.784 ( 3.985 -0.478 4.724) 6.199 14.850 ( -0.466 4.784 1.254) 4.967 14.896 ( 0.503 1.746 0.481) 1.880 14.926 ( -1.373 2.477 -2.569) 3.824 15.044 ( 0.827 -2.088 -0.063) 2.247 15.072 ( -1.940 -1.271 -0.739) 2.434 15.095 ( -0.629 -1.760 0.206) 1.880 15.124 ( -0.395 0.092 0.279) 0.492 15.141 ( -0.654 0.032 -0.042) 0.656 15.180 ( -0.144 -0.671 0.304) 0.750 15.231 ( -0.844 -1.762 -2.893) 3.491 17.995 ( -0.094 -0.216 -0.539) 0.589 18.009 ( -0.287 -0.791 -1.151) 1.425 18.054 ( 0.163 -0.122 0.448) 0.492 18.068 ( 0.117 -0.510 -0.427) 0.675 19.114 ( 2.019 0.013 0.510) 2.083 19.124 ( 0.994 -0.590 0.399) 1.223 19.221 ( -0.651 -0.417 0.754) 1.080 19.255 ( -0.950 -1.634 -0.855) 2.074 21.446 ( 1.568 0.208 0.393) 1.629 21.555 ( -1.001 -4.765 -4.361) 6.537 21.882 ( -0.274 -0.024 -0.220) 0.352 21.903 ( -0.934 -0.543 -1.395) 1.765 22.144 ( 0.126 2.930 0.465) 2.969 22.159 ( -0.239 3.082 0.282) 3.104 22.214 ( -0.900 -0.299 1.209) 1.537 22.230 ( 0.347 0.143 -0.926) 0.999 23.953 ( -0.757 0.108 -0.849) 1.142 23.954 ( -0.926 0.059 -0.857) 1.263 24.008 ( 0.877 0.163 0.886) 1.257 24.010 ( 0.798 0.098 0.800) 1.135 27.480 ( 2.706 3.781 3.524) 5.834 27.627 ( 0.840 5.196 -1.321) 5.426 27.696 ( 3.674 -2.820 3.913) 6.064 27.804 ( 0.521 -3.038 1.165) 3.295 27.964 ( -3.128 1.761 -0.873) 3.694 28.079 ( -3.546 -0.096 -2.411) 4.289 28.168 ( 1.442 1.432 3.339) 3.908 28.426 ( -4.047 -1.611 -8.244) 9.324 31.466 ( 0.276 1.450 0.915) 1.736 31.499 ( -1.053 1.222 0.292) 1.639 31.550 ( 0.272 -1.808 0.616) 1.929 31.579 ( 0.405 -2.205 1.120) 2.506 31.643 ( 0.031 0.779 1.538) 1.724 31.696 ( -1.026 -1.700 2.893) 3.509 31.854 ( -0.563 5.500 -2.083) 5.908 32.031 ( -1.891 -1.982 -10.714) 11.059 33.332 ( -0.175 -0.126 0.405) 0.459 33.339 ( 1.008 -0.353 -1.047) 1.496 33.452 ( 0.790 0.602 1.032) 1.432 33.477 ( -0.327 -0.335 0.180) 0.502 36.395 ( 0.500 1.390 0.655) 1.616 36.438 ( -0.932 0.088 -1.310) 1.610 36.457 ( -0.058 0.207 -0.910) 0.935 36.499 ( -2.574 -1.308 -0.911) 3.028 36.599 ( -1.839 1.500 1.044) 2.593 36.612 ( 1.120 2.163 -1.549) 2.887 36.776 ( -1.870 -5.804 4.205) 7.407 36.850 ( 2.747 -7.880 -3.706) 9.131 37.143 ( 0.457 8.815 10.057) 13.381 37.339 ( 3.225 7.302 -1.110) 8.060 37.711 ( 5.109 1.526 10.195) 11.505 38.193 ( -3.840 -12.083 -11.018) 16.797 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -13.277 13.929 -1.606) 19.310 1.360 ( -1.091 -0.855 3.663) 3.916 1.412 ( 1.321 8.121 -0.353) 8.235 1.447 ( 4.264 -2.409 2.880) 5.681 1.622 ( -11.176 -3.054 1.768) 11.720 1.739 ( -7.940 -1.653 1.439) 8.237 1.781 ( -1.531 -2.924 0.247) 3.310 1.820 ( 0.569 -3.316 -1.672) 3.757 1.855 ( -0.580 -1.095 2.313) 2.624 1.898 ( -0.682 -4.466 2.239) 5.042 1.976 ( -0.220 -3.383 -0.551) 3.434 2.039 ( 4.869 -3.118 0.461) 5.801 2.082 ( -0.591 -3.204 3.040) 4.456 2.152 ( -3.563 -1.009 1.900) 4.162 2.205 ( 0.755 -3.705 -3.234) 4.976 2.262 ( 0.788 4.188 -1.283) 4.450 2.336 ( -6.168 0.551 -1.525) 6.378 2.366 ( -1.302 -0.135 1.533) 2.016 2.386 ( -10.444 -0.229 -4.158) 11.244 2.444 ( -3.297 -1.809 2.672) 4.614 2.540 ( -3.847 2.273 -1.101) 4.602 2.572 ( -1.944 -0.871 -1.477) 2.592 2.608 ( -4.668 6.493 2.704) 8.442 2.695 ( 1.003 0.425 -3.259) 3.437 2.705 ( -1.765 2.842 -0.959) 3.480 2.773 ( -3.935 1.691 0.611) 4.326 2.788 ( -0.379 2.924 1.588) 3.349 2.841 ( -2.319 -1.227 -0.709) 2.718 2.883 ( 4.996 2.587 -0.198) 5.630 2.901 ( 2.398 0.668 2.541) 3.558 3.057 ( -3.155 1.020 -0.934) 3.445 3.107 ( 2.362 -1.516 0.380) 2.832 3.131 ( 1.763 -0.045 -0.561) 1.851 3.140 ( -0.193 -1.125 -1.680) 2.031 3.226 ( -0.795 -0.418 -0.980) 1.330 3.269 ( -0.046 -1.906 -1.353) 2.338 3.304 ( 6.522 2.284 4.026) 7.998 3.361 ( 0.329 -3.188 -1.534) 3.554 3.417 ( 3.692 -3.863 0.809) 5.404 3.440 ( 5.217 3.855 -2.401) 6.917 3.537 ( -4.235 -1.606 2.786) 5.318 3.580 ( 0.810 3.133 -0.038) 3.236 3.634 ( -0.200 -1.006 2.650) 2.842 3.739 ( 4.104 -1.824 -1.967) 4.902 3.775 ( 3.809 -0.952 3.396) 5.191 3.796 ( 1.452 3.739 -5.600) 6.889 3.856 ( -0.058 -1.150 -1.259) 1.706 3.867 ( 1.159 -6.685 -1.970) 7.065 4.034 ( -2.590 0.092 2.720) 3.757 4.079 ( 0.748 1.982 0.012) 2.118 4.114 ( -1.329 0.343 -0.146) 1.380 4.124 ( -1.240 0.609 -1.221) 1.843 4.176 ( -0.653 -0.262 1.393) 1.561 4.236 ( 3.612 -0.755 -2.135) 4.263 4.399 ( -2.304 -1.009 -4.300) 4.982 4.446 ( 6.312 -2.762 4.024) 7.979 4.564 ( -3.012 3.495 -3.069) 5.541 4.616 ( 4.691 3.212 2.543) 6.228 4.667 ( -2.670 -1.831 -2.934) 4.369 4.714 ( 3.319 -2.023 1.103) 4.041 4.763 ( 0.471 0.806 5.139) 5.223 4.802 ( 0.505 0.068 -2.130) 2.190 4.889 ( -1.705 -0.003 3.433) 3.833 4.933 ( -0.903 -0.690 -3.016) 3.223 5.488 ( 1.942 2.184 5.724) 6.427 5.508 ( -2.420 0.938 -6.874) 7.348 5.620 ( -1.572 -2.960 -1.334) 3.607 5.649 ( 2.334 -2.860 0.720) 3.761 5.753 ( -1.416 3.009 0.355) 3.345 5.785 ( 2.050 1.840 1.020) 2.937 6.018 ( -0.617 -1.305 0.397) 1.497 6.029 ( 1.192 -1.832 1.940) 2.922 8.186 ( -1.462 0.743 -0.150) 1.647 8.206 ( 0.178 0.496 0.640) 0.829 8.232 ( 0.038 -0.392 0.101) 0.406 8.245 ( 0.496 -0.253 -0.597) 0.817 8.507 ( -0.578 -0.847 -0.462) 1.125 8.514 ( 0.315 -0.811 0.036) 0.871 8.548 ( 0.071 -0.279 -0.136) 0.319 8.549 ( 0.409 -0.635 0.118) 0.764 8.600 ( -0.055 -0.778 -0.183) 0.801 8.603 ( 0.482 -0.640 0.457) 0.922 8.653 ( -1.103 0.648 -0.417) 1.345 8.674 ( 1.346 -0.105 0.121) 1.355 8.983 ( -0.627 0.682 0.355) 0.992 9.003 ( 1.289 0.055 0.129) 1.297 9.008 ( -0.132 -0.186 0.178) 0.290 9.013 ( -0.076 -0.364 -0.645) 0.745 9.280 ( -0.619 1.150 -0.118) 1.312 9.290 ( 0.358 0.835 0.139) 0.919 9.346 ( 0.166 -0.455 0.470) 0.675 9.362 ( 0.994 -1.095 -0.974) 1.771 10.342 ( -1.209 0.344 0.008) 1.257 10.352 ( -0.389 0.399 -0.523) 0.764 10.375 ( -0.637 -0.423 1.055) 1.303 10.393 ( 0.036 -0.638 -1.367) 1.510 10.502 ( -0.535 0.306 -0.187) 0.644 10.510 ( 0.351 0.126 0.168) 0.409 10.610 ( -0.322 -0.744 0.437) 0.921 10.612 ( -0.171 -0.693 0.391) 0.813 10.873 ( -0.183 0.239 -0.434) 0.528 10.874 ( 0.490 0.353 1.046) 1.208 10.895 ( 0.201 1.653 -0.032) 1.666 10.913 ( 1.333 1.177 -0.534) 1.857 13.309 ( -0.145 0.739 0.301) 0.811 13.312 ( -0.000 0.643 -0.014) 0.643 13.377 ( -0.088 0.386 0.024) 0.396 13.378 ( -0.061 0.383 -0.187) 0.431 14.293 ( 0.067 -0.042 0.004) 0.079 14.294 ( 0.224 -0.050 0.093) 0.247 14.368 ( -0.321 -0.518 0.088) 0.616 14.376 ( 0.225 -0.943 -0.432) 1.061 14.514 ( -1.093 3.174 -1.040) 3.514 14.530 ( 1.450 2.748 0.825) 3.215 14.633 ( -1.086 0.640 -0.896) 1.546 14.642 ( 0.950 -0.124 1.588) 1.855 14.789 ( -1.447 3.155 -2.036) 4.024 14.803 ( 1.775 3.243 1.667) 4.055 14.884 ( -0.507 0.593 0.001) 0.781 14.894 ( 0.281 0.872 -0.115) 0.923 14.963 ( -2.934 0.440 -5.965) 6.662 14.985 ( 4.392 -0.797 5.385) 6.994 15.073 ( -0.920 -3.219 -0.397) 3.372 15.090 ( 1.207 -2.303 0.504) 2.649 15.128 ( -0.211 0.890 -0.003) 0.914 15.137 ( 0.659 0.297 0.155) 0.739 15.187 ( 0.419 -0.048 1.510) 1.567 15.202 ( 0.068 -0.659 -1.948) 2.057 17.995 ( 0.110 -0.541 -0.233) 0.599 17.996 ( 0.156 -0.558 -0.257) 0.634 18.056 ( -0.390 -0.095 0.473) 0.620 18.065 ( 0.008 -0.335 -0.428) 0.543 19.126 ( -1.020 0.031 -0.527) 1.148 19.132 ( -0.468 -0.228 -0.442) 0.683 19.229 ( 0.325 -1.191 1.614) 2.032 19.230 ( -0.435 -1.122 -0.079) 1.206 21.487 ( -1.409 -2.204 -2.930) 3.927 21.492 ( 1.069 -2.166 0.949) 2.595 21.878 ( -0.180 0.244 0.176) 0.351 21.897 ( 1.436 -0.543 -0.768) 1.717 22.148 ( -0.400 2.105 0.178) 2.150 22.162 ( 0.986 3.423 -0.068) 3.563 22.198 ( -1.803 0.168 1.531) 2.372 22.245 ( 1.774 -0.186 -1.171) 2.134 23.942 ( 0.079 0.144 0.226) 0.279 23.944 ( 0.253 0.066 0.205) 0.332 24.019 ( -0.222 0.101 -0.231) 0.336 24.020 ( -0.151 0.095 -0.169) 0.245 27.559 ( -3.344 3.954 -4.549) 6.893 27.575 ( 2.299 3.576 3.755) 5.673 27.760 ( -3.480 0.065 -2.299) 4.171 27.817 ( 3.872 -3.183 0.787) 5.074 27.942 ( -3.978 0.657 2.039) 4.519 28.024 ( 4.161 -4.293 3.353) 6.855 28.258 ( -2.958 3.274 -6.431) 7.799 28.332 ( 8.396 0.781 0.130) 8.433 31.483 ( -0.115 1.364 -0.704) 1.540 31.492 ( 1.209 1.268 0.853) 1.949 31.565 ( -0.586 -1.418 -0.863) 1.761 31.580 ( 1.672 -1.551 0.808) 2.419 31.680 ( -1.325 -0.847 -0.340) 1.609 31.703 ( 2.309 -1.194 2.211) 3.413 31.875 ( 1.264 2.689 3.471) 4.569 31.909 ( -0.735 1.278 -7.793) 7.932 33.330 ( -0.171 0.135 -0.074) 0.230 33.348 ( 1.003 -0.519 -1.309) 1.729 33.461 ( -1.513 0.223 0.129) 1.534 33.468 ( -0.240 -0.020 1.191) 1.215 36.413 ( 0.515 1.194 0.088) 1.303 36.415 ( -0.150 1.129 -0.422) 1.215 36.461 ( -0.043 -0.526 -1.298) 1.401 36.492 ( 3.665 -1.590 0.114) 3.996 36.589 ( -0.435 1.326 0.888) 1.654 36.623 ( 1.819 2.454 -1.542) 3.422 36.772 ( -2.450 -6.207 4.174) 7.871 36.858 ( 1.834 -7.731 -4.161) 8.969 37.210 ( -3.410 11.019 10.197) 15.396 37.316 ( -1.001 10.331 -7.358) 12.723 37.919 ( 2.612 -8.824 16.604) 18.984 37.962 ( -7.052 -7.266 -13.213) 16.647 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -15.110 15.418 2.119) 21.692 1.189 ( -15.980 7.379 1.577) 17.672 1.379 ( -3.718 -6.277 -4.363) 8.500 1.465 ( -6.135 0.198 1.513) 6.322 1.592 ( -4.540 -1.558 2.214) 5.285 1.613 ( -5.424 -7.022 4.179) 9.808 1.686 ( -1.502 3.028 7.192) 7.946 1.737 ( -5.854 -6.622 -4.409) 9.877 1.812 ( -8.603 -3.399 1.529) 9.376 1.857 ( -3.408 -1.106 0.823) 3.677 1.945 ( -4.255 1.131 1.856) 4.778 1.948 ( -6.108 2.676 -5.421) 8.594 2.035 ( -4.959 2.183 -0.744) 5.469 2.089 ( -5.395 1.356 -3.692) 6.676 2.135 ( -4.597 -6.626 0.443) 8.077 2.208 ( -6.773 2.845 3.655) 8.205 2.239 ( -3.436 1.623 -0.771) 3.878 2.263 ( 0.798 -1.168 -6.303) 6.460 2.334 ( -3.367 -5.476 -0.009) 6.428 2.371 ( -4.253 3.622 -4.047) 6.898 2.433 ( 1.127 -0.600 -2.117) 2.472 2.495 ( -12.031 5.763 -0.576) 13.352 2.519 ( -1.051 -1.978 4.919) 5.405 2.586 ( -1.867 2.237 -1.355) 3.214 2.719 ( 0.625 1.723 -0.635) 1.940 2.731 ( -1.423 6.267 -1.446) 6.587 2.755 ( -6.132 -0.681 6.667) 9.084 2.805 ( -2.517 1.671 -2.635) 4.009 2.939 ( 0.368 0.279 2.105) 2.155 2.984 ( -0.696 -1.448 3.381) 3.743 3.027 ( 3.608 -1.214 0.151) 3.809 3.090 ( -0.367 -1.832 2.157) 2.854 3.159 ( 0.640 -2.699 -0.607) 2.839 3.193 ( 5.143 -2.426 -1.254) 5.823 3.221 ( 2.646 -3.392 0.874) 4.390 3.282 ( 0.803 -6.364 1.551) 6.599 3.398 ( 3.801 1.895 -0.535) 4.280 3.466 ( 0.918 -2.067 1.022) 2.482 3.476 ( 3.778 1.973 -0.960) 4.369 3.508 ( 1.728 2.883 1.046) 3.520 3.572 ( 4.432 3.298 -0.853) 5.590 3.593 ( 7.581 3.336 -2.556) 8.668 3.697 ( 2.165 2.954 -2.516) 4.443 3.757 ( -2.126 3.153 -7.507) 8.415 3.788 ( -0.607 -5.373 0.035) 5.408 3.810 ( 3.780 -0.703 1.180) 4.021 3.870 ( -2.482 0.263 -5.987) 6.487 3.882 ( 3.103 1.200 -1.915) 3.839 3.948 ( 3.288 -5.836 0.463) 6.714 4.017 ( -0.267 -1.940 0.397) 1.998 4.085 ( -2.243 -2.000 1.171) 3.225 4.186 ( 4.666 -0.864 2.536) 5.381 4.253 ( 4.419 2.335 -2.410) 5.549 4.341 ( 3.361 -0.912 3.031) 4.617 4.377 ( 0.540 2.290 0.834) 2.496 4.485 ( -2.477 3.333 0.203) 4.158 4.545 ( -1.796 1.701 -0.057) 2.474 4.623 ( 3.184 -5.325 0.647) 6.238 4.693 ( -0.530 0.426 -0.179) 0.703 4.710 ( -1.597 0.150 -1.354) 2.099 4.834 ( -1.069 -0.686 2.392) 2.708 4.861 ( -1.394 -0.857 -1.688) 2.351 4.903 ( 6.209 1.601 5.925) 8.730 4.938 ( 4.620 -0.071 4.519) 6.463 5.373 ( -4.560 0.217 -6.556) 7.989 5.499 ( -3.741 -4.846 -2.748) 6.711 5.609 ( 1.062 1.480 0.975) 2.066 5.677 ( 1.622 -0.809 -0.264) 1.832 5.738 ( -0.575 3.195 -0.098) 3.247 5.846 ( 1.933 -1.616 1.054) 2.731 6.013 ( -0.503 0.220 0.182) 0.579 6.089 ( 2.841 -3.691 1.572) 4.916 8.157 ( -1.209 0.746 -0.321) 1.456 8.202 ( -1.502 -0.916 0.835) 1.948 8.232 ( 0.562 0.157 -0.423) 0.721 8.248 ( 0.432 -0.137 -0.560) 0.721 8.504 ( 0.535 0.519 0.283) 0.797 8.527 ( 0.795 -0.036 0.565) 0.976 8.550 ( 0.007 -0.166 0.479) 0.507 8.567 ( 0.716 0.427 1.344) 1.582 8.600 ( 0.335 -0.734 0.004) 0.807 8.617 ( -1.154 1.318 -1.086) 2.061 8.638 ( 1.566 -1.065 1.013) 2.148 8.697 ( 1.030 -1.280 -0.357) 1.681 8.982 ( 0.068 0.579 0.551) 0.802 8.999 ( -0.523 -0.349 -0.899) 1.097 9.005 ( -0.068 0.054 -0.220) 0.236 9.038 ( 1.826 -0.927 0.407) 2.088 9.271 ( -0.328 1.542 0.004) 1.576 9.297 ( 0.197 2.101 0.395) 2.147 9.355 ( 0.647 -1.552 -0.584) 1.780 9.382 ( 1.475 -0.667 0.381) 1.664 10.299 ( -2.612 0.672 -0.705) 2.787 10.320 ( -1.710 0.645 -1.289) 2.236 10.364 ( -1.307 -1.167 0.685) 1.881 10.380 ( -0.938 -0.735 -0.147) 1.201 10.501 ( 0.087 0.347 0.567) 0.670 10.523 ( 0.291 -0.438 1.048) 1.172 10.608 ( -0.487 -0.739 0.016) 0.885 10.610 ( -0.508 -0.826 0.389) 1.045 10.878 ( 0.976 1.004 -0.363) 1.446 10.887 ( 0.384 1.500 0.413) 1.602 10.917 ( 1.483 0.087 0.195) 1.498 10.929 ( 0.869 0.495 -1.087) 1.477 13.304 ( -0.472 0.756 -0.199) 0.913 13.310 ( -0.059 0.589 -0.404) 0.717 13.372 ( -0.054 0.527 -0.090) 0.538 13.379 ( -0.182 0.144 0.282) 0.365 14.299 ( 0.313 0.200 0.150) 0.401 14.313 ( 1.018 -0.229 1.048) 1.479 14.354 ( -0.777 -0.306 -0.742) 1.117 14.367 ( -0.144 -1.442 -0.820) 1.666 14.490 ( -0.758 2.942 -0.453) 3.072 14.555 ( 0.299 0.542 0.116) 0.629 14.619 ( 1.120 3.343 -0.605) 3.577 14.685 ( 2.033 -0.288 2.399) 3.158 14.729 ( -2.436 0.779 -3.432) 4.280 14.762 ( -3.493 -0.259 -5.773) 6.753 14.879 ( 0.671 2.881 0.004) 2.958 14.899 ( 0.729 4.907 -2.299) 5.467 14.926 ( 1.453 4.936 2.613) 5.771 15.027 ( -1.159 -2.559 -0.760) 2.910 15.101 ( 0.861 -0.562 0.253) 1.058 15.114 ( 1.009 -1.249 0.359) 1.645 15.135 ( 1.587 -0.641 0.690) 1.846 15.146 ( 0.005 -1.462 0.962) 1.750 15.189 ( 0.208 0.151 -1.215) 1.242 15.244 ( 2.967 -0.321 2.208) 3.713 17.997 ( 0.466 -0.201 0.138) 0.526 18.007 ( 0.365 -0.760 0.538) 1.000 18.047 ( -0.732 -0.409 -0.125) 0.848 18.060 ( -0.463 -0.526 0.127) 0.712 19.081 ( -2.171 0.087 -1.620) 2.710 19.101 ( -1.840 -1.012 -0.708) 2.216 19.224 ( -0.405 -0.607 0.651) 0.977 19.257 ( 0.125 -2.415 1.393) 2.791 21.420 ( -1.761 0.383 -1.065) 2.093 21.541 ( 1.112 -4.910 2.953) 5.836 21.889 ( 1.075 1.849 0.614) 2.225 21.934 ( 2.745 -0.245 -0.312) 2.774 22.135 ( -1.392 2.441 0.130) 2.813 22.165 ( -0.550 2.443 -0.738) 2.611 22.202 ( 1.107 1.999 1.575) 2.775 22.268 ( 1.889 0.019 -1.587) 2.467 23.960 ( 0.980 0.212 1.105) 1.492 23.964 ( 1.055 0.036 1.123) 1.541 23.999 ( -1.064 0.134 -1.134) 1.561 24.001 ( -1.014 0.065 -1.032) 1.448 27.465 ( -1.808 4.875 -2.683) 5.851 27.597 ( -1.392 6.673 -0.425) 6.830 27.655 ( -4.383 -3.291 -3.685) 6.604 27.806 ( -0.466 -1.167 -0.863) 1.524 27.998 ( 2.079 -0.860 1.427) 2.664 28.090 ( 2.521 13.884 -0.944) 14.143 28.236 ( 2.680 -6.983 4.537) 8.749 28.513 ( 9.663 -1.082 -2.450) 10.027 31.484 ( 1.254 1.374 -1.110) 2.166 31.522 ( 0.864 0.545 0.715) 1.247 31.559 ( 0.699 -1.599 -0.808) 1.923 31.584 ( -1.170 -2.254 -2.945) 3.889 31.657 ( 0.477 1.839 -0.181) 1.909 31.762 ( 2.916 -2.739 -2.006) 4.475 31.858 ( 1.474 5.788 0.078) 5.973 31.976 ( 1.909 0.749 6.973) 7.269 33.325 ( -0.124 0.315 -0.413) 0.534 33.353 ( 0.660 -0.580 -1.381) 1.637 33.426 ( -2.019 0.606 0.336) 2.134 33.465 ( -1.046 -0.720 1.060) 1.654 36.399 ( 0.118 1.417 -0.978) 1.726 36.452 ( 1.979 1.722 1.122) 2.853 36.469 ( 1.215 -0.951 0.131) 1.548 36.559 ( 2.379 -2.461 -0.189) 3.428 36.590 ( 0.045 0.952 0.038) 0.954 36.674 ( 2.442 -1.508 1.015) 3.044 36.781 ( 3.277 -3.111 0.982) 4.624 36.862 ( 2.560 -5.006 -2.766) 6.267 37.171 ( -5.981 10.089 0.270) 11.732 37.210 ( -4.912 10.152 -0.923) 11.316 37.665 ( -10.326 -2.901 -11.922) 16.037 38.109 ( -0.915 -19.128 14.964) 24.303 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -12.895 7.877 7.480) 16.861 0.997 ( -9.775 10.884 14.961) 20.925 1.285 ( -2.056 -7.776 -5.330) 9.649 1.328 ( -2.613 -4.350 -1.467) 5.282 1.448 ( -14.478 -5.320 1.005) 15.458 1.480 ( -7.730 -12.569 -7.197) 16.417 1.512 ( -8.469 1.009 7.429) 11.311 1.621 ( -5.776 -0.126 -0.430) 5.793 1.694 ( -6.016 0.769 -0.056) 6.065 1.772 ( -7.213 3.977 -3.758) 9.053 1.844 ( -8.835 3.059 0.685) 9.375 1.907 ( -5.428 -0.496 1.545) 5.665 1.950 ( -5.046 1.130 -2.397) 5.699 2.004 ( -3.143 -0.012 -0.636) 3.207 2.015 ( 0.764 0.797 -4.503) 4.637 2.123 ( 1.884 -2.454 -1.609) 3.487 2.136 ( -0.458 -2.044 -0.928) 2.291 2.190 ( -4.345 7.303 5.534) 10.141 2.269 ( 1.627 -0.200 -7.500) 7.678 2.347 ( -0.702 2.613 2.080) 3.413 2.381 ( -1.619 0.494 0.170) 1.702 2.431 ( 0.580 -1.405 -2.937) 3.307 2.514 ( -0.895 -1.133 -1.176) 1.863 2.554 ( -6.648 1.026 -2.972) 7.354 2.654 ( -3.007 1.057 -0.134) 3.190 2.665 ( 0.292 1.093 1.429) 1.823 2.724 ( -2.267 6.050 0.498) 6.480 2.801 ( 2.539 6.804 2.750) 7.765 2.954 ( 1.113 -0.622 1.220) 1.764 3.026 ( 0.254 -4.446 -4.348) 6.224 3.063 ( -1.304 -3.650 9.646) 10.396 3.137 ( 2.367 -5.025 1.016) 5.646 3.187 ( 2.776 -3.004 1.553) 4.375 3.252 ( -2.362 -1.169 0.409) 2.667 3.325 ( 3.330 -1.778 4.693) 6.023 3.345 ( -0.104 -4.339 2.241) 4.885 3.392 ( 0.373 -0.142 1.921) 1.962 3.482 ( 2.593 -0.118 -2.250) 3.435 3.507 ( 3.474 6.659 -4.211) 8.611 3.560 ( 5.214 0.339 -0.795) 5.285 3.603 ( 2.145 5.742 -4.054) 7.349 3.624 ( 0.963 2.651 -2.613) 3.845 3.734 ( 1.298 2.351 -2.146) 3.438 3.781 ( 4.004 2.531 -3.112) 5.668 3.807 ( 2.363 -1.753 3.243) 4.379 3.853 ( -0.544 -2.256 0.030) 2.321 3.880 ( 7.188 0.087 -0.733) 7.226 3.913 ( 0.073 -0.760 -0.317) 0.826 3.981 ( 1.588 -0.483 -1.413) 2.180 4.042 ( -1.090 -1.805 0.369) 2.140 4.087 ( 2.746 -3.707 0.277) 4.622 4.225 ( -1.263 -1.963 -1.715) 2.897 4.277 ( 0.543 2.588 -3.467) 4.361 4.356 ( 1.121 -1.407 -1.265) 2.199 4.439 ( -2.060 3.486 0.075) 4.050 4.474 ( -0.599 0.290 1.508) 1.649 4.492 ( -0.303 0.790 4.364) 4.446 4.621 ( -2.991 -1.234 -1.168) 3.440 4.665 ( -0.495 1.850 -0.768) 2.063 4.739 ( 2.997 -2.512 3.532) 5.269 4.792 ( -1.990 -1.782 -1.773) 3.206 4.810 ( -0.713 -1.606 -0.537) 1.837 4.994 ( -2.494 2.514 -3.910) 5.275 5.151 ( 7.250 -1.818 6.390) 9.834 5.283 ( 0.653 -0.512 1.928) 2.099 5.356 ( -4.480 -4.349 -3.018) 6.935 5.594 ( -3.452 3.543 -0.646) 4.988 5.708 ( 0.962 -1.837 0.051) 2.074 5.745 ( 1.374 2.048 0.164) 2.472 5.850 ( -1.574 -1.522 -2.477) 3.306 6.003 ( -0.056 -0.654 0.645) 0.920 6.120 ( -0.728 -6.487 -1.161) 6.631 8.139 ( -0.316 0.495 -0.237) 0.633 8.168 ( -1.769 -0.686 -0.110) 1.901 8.248 ( 0.769 0.062 0.276) 0.820 8.255 ( 0.519 -0.229 -0.148) 0.586 8.527 ( 1.279 1.490 0.327) 1.990 8.541 ( -0.486 0.617 0.112) 0.794 8.552 ( 0.780 1.042 0.480) 1.388 8.579 ( -1.367 2.530 -0.830) 2.992 8.613 ( 1.199 0.614 0.745) 1.539 8.629 ( 2.197 -0.914 3.238) 4.018 8.674 ( 0.695 -1.175 -0.499) 1.453 8.711 ( 1.089 -1.593 -0.018) 1.930 8.977 ( -0.627 -0.018 -0.445) 0.769 8.990 ( 0.172 -0.556 -0.194) 0.613 9.014 ( 0.719 0.452 0.734) 1.122 9.069 ( 0.976 -1.669 -0.461) 1.988 9.268 ( 0.060 2.020 0.261) 2.037 9.302 ( -0.004 3.586 -0.341) 3.603 9.375 ( 1.908 -2.268 0.877) 3.091 9.417 ( 1.214 -1.012 0.786) 1.765 10.251 ( -1.322 0.570 -0.200) 1.454 10.279 ( -1.155 0.222 -0.462) 1.264 10.336 ( -2.528 -1.620 0.691) 3.081 10.348 ( -1.577 -0.866 -0.981) 2.049 10.510 ( 0.151 0.291 0.707) 0.779 10.537 ( 0.268 -0.887 0.834) 1.246 10.580 ( -0.794 -0.321 -1.787) 1.982 10.602 ( -1.122 -1.429 0.878) 2.018 10.895 ( 0.778 1.413 -0.360) 1.652 10.903 ( 1.084 0.515 0.213) 1.218 10.924 ( -0.140 0.356 -1.122) 1.186 10.940 ( 0.751 0.063 -0.470) 0.888 13.289 ( -0.562 0.784 -0.610) 1.141 13.301 ( -0.329 0.348 -0.790) 0.923 13.375 ( 0.214 0.431 0.333) 0.585 13.379 ( -0.066 0.287 0.276) 0.404 14.301 ( -0.028 0.260 -0.292) 0.392 14.325 ( -1.141 -0.429 -1.170) 1.690 14.347 ( 1.211 -0.229 1.224) 1.737 14.370 ( 0.646 -1.422 0.133) 1.567 14.483 ( 0.104 1.876 0.505) 1.945 14.547 ( -0.144 -0.860 -0.163) 0.887 14.617 ( -1.800 2.312 -3.323) 4.430 14.659 ( -1.335 -0.284 -2.206) 2.594 14.704 ( 2.438 2.141 1.809) 3.715 14.792 ( 4.151 -1.673 3.710) 5.813 14.881 ( -0.431 1.564 0.043) 1.623 14.920 ( 1.854 4.012 0.634) 4.465 14.953 ( 0.625 8.086 -3.138) 8.696 15.027 ( 2.318 0.954 2.070) 3.251 15.089 ( -0.877 -1.238 -1.503) 2.136 15.131 ( 0.454 0.103 1.437) 1.511 15.140 ( 0.092 0.248 -0.537) 0.599 15.185 ( 0.879 -1.183 -0.233) 1.492 15.189 ( 1.210 -0.745 0.231) 1.439 15.305 ( 1.301 -0.308 0.251) 1.361 18.013 ( 0.658 -0.149 0.489) 0.833 18.016 ( -0.064 -0.372 0.531) 0.651 18.026 ( -0.869 -0.297 -0.603) 1.099 18.044 ( -1.053 -1.010 -0.374) 1.507 19.029 ( -1.355 -0.127 -1.617) 2.114 19.053 ( -2.302 -1.661 -1.103) 3.045 19.220 ( -0.596 -0.500 0.688) 1.039 19.242 ( -2.137 -2.030 0.273) 2.960 21.445 ( 3.148 -0.341 4.447) 5.459 21.582 ( 0.258 -6.633 2.637) 7.142 21.932 ( 2.686 3.611 1.069) 4.626 21.989 ( 2.948 0.171 -0.385) 2.978 22.093 ( -2.779 3.501 -0.102) 4.471 22.140 ( -1.183 1.735 -1.673) 2.685 22.242 ( 1.566 3.475 0.666) 3.869 22.289 ( 1.782 0.965 -2.001) 2.848 23.964 ( -1.004 0.078 -1.194) 1.562 23.965 ( -1.084 0.057 -1.271) 1.672 23.997 ( 1.045 0.219 1.239) 1.636 23.999 ( 1.010 0.157 1.226) 1.596 27.458 ( 1.401 4.512 0.939) 4.817 27.570 ( 1.222 4.206 1.469) 4.619 27.640 ( 2.457 1.096 4.022) 4.839 27.784 ( -1.765 3.405 -1.611) 4.160 27.983 ( 4.921 10.864 -7.584) 14.133 28.235 ( 6.578 7.113 6.732) 11.797 28.285 ( -4.230 -8.916 5.577) 11.336 28.626 ( 6.339 -1.844 -8.344) 10.640 31.506 ( 1.540 1.006 -1.183) 2.187 31.534 ( -0.586 -0.218 0.660) 0.910 31.549 ( 2.231 0.272 -0.460) 2.294 31.583 ( 1.603 -1.200 0.034) 2.002 31.659 ( -0.335 1.617 -0.700) 1.793 31.767 ( -0.864 -2.888 -1.871) 3.548 31.950 ( 6.431 6.310 1.135) 9.081 32.052 ( -0.082 2.477 4.968) 5.552 33.320 ( 0.173 0.552 -0.597) 0.831 33.340 ( -1.142 0.575 -0.425) 1.348 33.409 ( 0.317 -0.613 0.133) 0.703 33.448 ( -1.688 -1.480 0.955) 2.440 36.405 ( 0.989 0.854 0.137) 1.314 36.490 ( -0.234 -0.621 0.614) 0.904 36.496 ( 1.416 -0.902 0.994) 1.951 36.572 ( -0.475 -1.780 -0.478) 1.903 36.619 ( 2.801 1.101 1.425) 3.330 36.688 ( -0.544 -3.616 2.048) 4.191 36.875 ( 3.792 2.075 -2.483) 4.985 36.974 ( 3.704 1.889 -0.337) 4.171 37.083 ( -0.139 4.164 -4.637) 6.234 37.109 ( 3.198 4.195 1.797) 5.573 37.366 ( -11.315 0.557 -6.734) 13.179 38.030 ( -18.903 -25.622 3.465) 32.028 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 1.291 -13.055 3.104) 13.481 0.874 ( 1.291 13.055 3.104) 13.481 1.160 ( -4.136 -1.392 -8.135) 9.232 1.160 ( -4.136 1.392 -8.135) 9.232 1.232 ( 4.260 -8.613 8.968) 13.144 1.232 ( 4.260 8.613 8.968) 13.144 1.444 ( -1.960 -3.282 -10.172) 10.867 1.444 ( -1.960 3.282 -10.172) 10.867 1.663 ( -0.667 -2.744 0.515) 2.870 1.663 ( -0.667 2.744 0.515) 2.870 1.723 ( -0.253 -0.495 -3.378) 3.424 1.723 ( -0.253 0.495 -3.378) 3.424 2.041 ( 2.151 -4.763 6.429) 8.285 2.041 ( 2.151 4.763 6.429) 8.285 2.105 ( -2.848 -4.755 1.338) 5.702 2.105 ( -2.848 4.755 1.338) 5.702 2.182 ( -0.954 -3.546 2.519) 4.453 2.182 ( -0.954 3.546 2.519) 4.453 2.289 ( -0.405 -2.089 -3.535) 4.126 2.289 ( -0.405 2.089 -3.535) 4.126 2.382 ( -0.521 -2.479 3.189) 4.073 2.382 ( -0.521 2.479 3.189) 4.073 2.476 ( 1.553 -1.248 -4.530) 4.949 2.476 ( 1.553 1.248 -4.530) 4.949 2.712 ( -0.607 -1.944 4.683) 5.106 2.712 ( -0.607 1.944 4.683) 5.106 2.817 ( -3.116 -4.609 0.183) 5.566 2.817 ( -3.116 4.609 0.183) 5.566 3.007 ( 2.012 -0.535 0.707) 2.199 3.007 ( 2.012 0.535 0.707) 2.199 3.092 ( 1.386 -0.377 1.255) 1.908 3.092 ( 1.386 0.377 1.255) 1.908 3.233 ( 2.263 -2.903 1.772) 4.085 3.233 ( 2.263 2.903 1.772) 4.085 3.335 ( -0.949 -2.608 -0.595) 2.838 3.335 ( -0.949 2.608 -0.595) 2.838 3.453 ( 1.329 -1.159 1.202) 2.134 3.453 ( 1.329 1.159 1.202) 2.134 3.547 ( -1.989 -3.044 -3.964) 5.379 3.547 ( -1.989 3.044 -3.964) 5.379 3.727 ( 2.245 -1.598 0.665) 2.835 3.727 ( 2.245 1.598 0.665) 2.835 3.784 ( 0.356 -6.116 0.189) 6.129 3.784 ( 0.356 6.116 0.189) 6.129 3.833 ( -0.369 -0.776 1.725) 1.928 3.833 ( -0.369 0.776 1.725) 1.928 3.932 ( 0.387 -1.373 -2.226) 2.644 3.932 ( 0.387 1.373 -2.226) 2.644 4.006 ( -0.199 -2.766 -2.989) 4.078 4.006 ( -0.199 2.766 -2.989) 4.078 4.121 ( -0.148 -3.179 -0.295) 3.196 4.121 ( -0.148 3.179 -0.295) 3.196 4.310 ( 0.499 -1.045 -2.200) 2.486 4.310 ( 0.499 1.045 -2.200) 2.486 4.358 ( -3.109 -0.342 -2.583) 4.056 4.358 ( -3.109 0.342 -2.583) 4.056 4.634 ( 2.935 -2.372 6.004) 7.092 4.634 ( 2.935 2.372 6.004) 7.092 4.722 ( -1.241 -2.168 -0.802) 2.623 4.722 ( -1.241 2.168 -0.802) 2.623 4.782 ( 2.287 -4.169 2.005) 5.161 4.782 ( 2.287 4.169 2.005) 5.161 4.937 ( -4.718 -4.006 -4.677) 7.758 4.937 ( -4.718 4.006 -4.677) 7.758 5.465 ( 7.208 -2.440 6.704) 10.142 5.465 ( 7.208 2.440 6.704) 10.142 5.583 ( -4.516 -4.423 -4.605) 7.820 5.583 ( -4.516 4.423 -4.605) 7.820 5.791 ( -0.690 -0.285 -0.811) 1.102 5.791 ( -0.690 0.285 -0.811) 1.102 5.991 ( -0.932 -0.501 0.809) 1.332 5.991 ( -0.932 0.501 0.809) 1.332 8.143 ( -0.049 -0.037 0.030) 0.068 8.143 ( -0.049 0.037 0.030) 0.068 8.255 ( 0.045 -0.140 -0.152) 0.212 8.255 ( 0.045 0.140 -0.152) 0.212 8.548 ( 0.119 -0.376 0.037) 0.396 8.548 ( 0.119 0.376 0.037) 0.396 8.601 ( -0.578 -0.659 -0.371) 0.952 8.601 ( -0.578 0.659 -0.371) 0.952 8.649 ( 0.391 -0.876 1.508) 1.787 8.649 ( 0.391 0.876 1.508) 1.787 8.687 ( 0.098 -1.589 0.247) 1.611 8.687 ( 0.098 1.589 0.247) 1.611 8.979 ( 0.061 -0.470 -0.009) 0.474 8.979 ( 0.061 0.470 -0.009) 0.474 9.033 ( -0.157 -0.677 -0.144) 0.710 9.033 ( -0.157 0.677 -0.144) 0.710 9.333 ( 0.103 -1.134 0.332) 1.186 9.333 ( 0.103 1.134 0.332) 1.186 9.388 ( 0.106 -1.155 -0.029) 1.160 9.388 ( 0.106 1.155 -0.029) 1.160 10.265 ( 0.640 -0.722 0.752) 1.223 10.265 ( 0.640 0.722 0.752) 1.223 10.295 ( -0.258 -1.034 -1.314) 1.692 10.295 ( -0.258 1.034 -1.314) 1.692 10.526 ( -0.165 -0.592 0.640) 0.887 10.526 ( -0.165 0.592 0.640) 0.887 10.562 ( -0.070 -0.281 -0.633) 0.696 10.562 ( -0.070 0.281 -0.633) 0.696 10.912 ( -0.435 -0.492 0.546) 0.854 10.912 ( -0.435 0.492 0.546) 0.854 10.935 ( 0.474 -0.561 -1.212) 1.417 10.935 ( 0.474 0.561 -1.212) 1.417 13.289 ( -0.151 -0.158 -0.381) 0.439 13.289 ( -0.151 0.158 -0.381) 0.439 13.386 ( 0.096 -0.057 0.194) 0.224 13.386 ( 0.096 0.057 0.194) 0.224 14.297 ( -0.271 -0.072 -0.385) 0.477 14.297 ( -0.271 0.072 -0.385) 0.477 14.371 ( 0.435 -0.247 0.318) 0.592 14.371 ( 0.435 0.247 0.318) 0.592 14.538 ( 1.412 -1.718 1.487) 2.675 14.538 ( 1.412 1.718 1.487) 2.675 14.576 ( -1.927 -1.622 -2.644) 3.652 14.576 ( -1.927 1.622 -2.644) 3.652 14.845 ( 2.748 -1.229 2.294) 3.785 14.845 ( 2.748 1.229 2.294) 3.785 14.899 ( -1.878 -1.839 -1.809) 3.191 14.899 ( -1.878 1.839 -1.809) 3.191 15.017 ( 0.058 -1.451 0.848) 1.681 15.017 ( 0.058 1.451 0.848) 1.681 15.128 ( -0.111 -0.683 0.363) 0.782 15.128 ( -0.111 0.683 0.363) 0.782 15.169 ( 0.365 -0.849 0.138) 0.935 15.169 ( 0.365 0.849 0.138) 0.935 15.269 ( -0.306 -1.276 -1.590) 2.062 15.269 ( -0.306 1.276 -1.590) 2.062 18.007 ( -0.270 -0.077 0.184) 0.335 18.007 ( -0.270 0.077 0.184) 0.335 18.028 ( 0.598 -0.074 -0.599) 0.850 18.028 ( 0.598 0.074 -0.599) 0.850 19.003 ( 0.269 -0.130 -1.087) 1.127 19.003 ( 0.269 0.130 -1.087) 1.127 19.209 ( -0.435 -0.184 0.918) 1.033 19.209 ( -0.435 0.184 0.918) 1.033 21.511 ( 0.637 -0.709 1.477) 1.757 21.511 ( 0.637 0.709 1.477) 1.757 22.019 ( 0.086 -0.199 0.066) 0.227 22.019 ( 0.086 0.199 0.066) 0.227 22.110 ( -0.339 -1.187 -0.077) 1.237 22.110 ( -0.339 1.187 -0.077) 1.237 22.313 ( 0.495 -0.459 -1.511) 1.655 22.313 ( 0.495 0.459 -1.511) 1.655 23.942 ( -0.360 -0.022 -0.444) 0.572 23.942 ( -0.360 0.022 -0.444) 0.572 24.023 ( 0.352 -0.038 0.455) 0.577 24.023 ( 0.352 0.038 0.455) 0.577 27.644 ( 3.735 -2.987 4.289) 6.424 27.644 ( 3.735 2.987 4.289) 6.424 27.755 ( -1.555 -1.255 -3.107) 3.694 27.755 ( -1.555 1.255 -3.107) 3.694 28.088 ( -3.706 -1.755 5.367) 6.754 28.088 ( -3.706 1.755 5.367) 6.754 28.534 ( 4.067 -4.423 -10.086) 11.740 28.534 ( 4.067 4.423 -10.086) 11.740 31.524 ( 0.036 -0.229 -0.148) 0.275 31.524 ( 0.036 0.229 -0.148) 0.275 31.619 ( 1.776 -0.960 1.436) 2.478 31.619 ( 1.776 0.960 1.436) 2.478 31.653 ( -2.306 -1.472 -1.724) 3.234 31.653 ( -2.306 1.472 -1.724) 3.234 32.138 ( 3.482 -1.559 -2.665) 4.654 32.138 ( 3.482 1.559 -2.665) 4.654 33.332 ( -0.670 -0.477 0.146) 0.836 33.332 ( -0.670 0.477 0.146) 0.836 33.404 ( 0.166 -0.617 0.521) 0.825 33.404 ( 0.166 0.617 0.521) 0.825 36.441 ( 0.380 -0.500 0.287) 0.691 36.441 ( 0.380 0.500 0.287) 0.691 36.520 ( -0.199 -0.415 0.013) 0.461 36.520 ( -0.199 0.415 0.013) 0.461 36.712 ( 1.610 -0.321 2.083) 2.652 36.712 ( 1.610 0.321 2.083) 2.652 36.916 ( -3.848 -1.053 -2.803) 4.875 36.916 ( -3.848 1.053 -2.803) 4.875 37.224 ( -17.224 -9.624 6.111) 20.655 37.224 ( -17.224 9.624 6.111) 20.655 37.312 ( 15.502 -9.024 -1.539) 18.003 37.312 ( 15.502 9.024 -1.539) 18.003 ======================= Grid point 86 (49/54) ======================= q-point: ( 0.14 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 7.826 -3.668 -1.919) 8.854 0.973 ( 7.826 3.668 -1.919) 8.854 1.132 ( 5.434 -1.123 4.380) 7.069 1.132 ( 5.434 1.123 4.380) 7.069 1.429 ( 9.466 -5.742 -2.672) 11.389 1.429 ( 9.465 5.742 -2.672) 11.389 1.563 ( 12.604 -6.238 0.247) 14.066 1.563 ( 12.604 6.238 0.247) 14.066 1.697 ( 9.189 -0.788 1.755) 9.388 1.697 ( 9.189 0.788 1.755) 9.388 1.795 ( 5.684 -1.557 1.234) 6.021 1.795 ( 5.684 1.557 1.234) 6.021 2.018 ( -2.275 -3.164 -0.398) 3.917 2.018 ( -2.275 3.164 -0.398) 3.917 2.075 ( -4.605 -2.095 3.165) 5.967 2.075 ( -4.605 2.095 3.165) 5.967 2.193 ( -1.545 -3.427 1.229) 3.954 2.193 ( -1.545 3.427 1.229) 3.954 2.279 ( 1.202 -2.895 -1.070) 3.312 2.279 ( 1.202 2.895 -1.070) 3.312 2.475 ( 5.950 -1.862 0.088) 6.235 2.475 ( 5.950 1.862 0.088) 6.235 2.493 ( 4.526 -2.538 0.126) 5.190 2.493 ( 4.526 2.538 0.126) 5.190 2.683 ( -1.595 -2.632 1.711) 3.521 2.683 ( -1.595 2.632 1.711) 3.521 2.856 ( 1.793 -4.475 4.090) 6.322 2.856 ( 1.793 4.475 4.090) 6.322 2.976 ( -2.401 -1.314 -2.963) 4.034 2.976 ( -2.401 1.314 -2.963) 4.034 3.112 ( -0.119 -5.446 -3.232) 6.334 3.112 ( -0.119 5.446 -3.232) 6.334 3.222 ( -1.218 -1.591 -2.218) 2.989 3.222 ( -1.218 1.591 -2.218) 2.989 3.358 ( 0.347 -4.195 -0.580) 4.249 3.358 ( 0.347 4.195 -0.580) 4.249 3.448 ( -0.409 -0.376 -2.361) 2.426 3.448 ( -0.409 0.376 -2.361) 2.426 3.508 ( -2.439 -2.930 3.713) 5.322 3.508 ( -2.439 2.930 3.713) 5.322 3.667 ( -5.013 -1.960 -2.304) 5.855 3.667 ( -5.013 1.960 -2.304) 5.855 3.745 ( -0.936 -6.227 -0.147) 6.298 3.745 ( -0.936 6.227 -0.147) 6.298 3.820 ( -4.047 -1.983 -0.817) 4.580 3.820 ( -4.047 1.983 -0.817) 4.580 3.910 ( -3.654 -2.315 -2.667) 5.081 3.910 ( -3.654 2.315 -2.667) 5.081 3.969 ( -0.607 -3.292 1.962) 3.880 3.969 ( -0.607 3.292 1.962) 3.880 4.105 ( -0.209 -5.566 0.186) 5.573 4.105 ( -0.209 5.566 0.186) 5.573 4.251 ( -2.224 -0.968 1.158) 2.687 4.251 ( -2.224 0.968 1.158) 2.687 4.430 ( 4.272 -1.887 3.600) 5.897 4.430 ( 4.272 1.887 3.600) 5.897 4.653 ( -0.225 -2.309 -5.350) 5.832 4.653 ( -0.225 2.309 -5.350) 5.832 4.703 ( -0.934 -2.684 2.174) 3.578 4.703 ( -0.934 2.684 2.174) 3.578 4.815 ( 1.609 -1.422 -3.210) 3.862 4.815 ( 1.609 1.422 -3.210) 3.862 4.976 ( 4.980 -6.725 7.593) 11.299 4.976 ( 4.980 6.725 7.593) 11.299 5.403 ( -6.102 -2.657 -7.710) 10.185 5.403 ( -6.102 2.657 -7.710) 10.185 5.635 ( 4.003 -2.692 2.490) 5.429 5.635 ( 4.003 2.692 2.490) 5.429 5.768 ( -1.314 -1.684 1.513) 2.618 5.768 ( -1.314 1.684 1.513) 2.618 6.007 ( 0.860 -2.160 1.818) 2.951 6.007 ( 0.860 2.160 1.818) 2.951 8.151 ( 0.866 -0.755 0.111) 1.154 8.151 ( 0.866 0.755 0.111) 1.154 8.251 ( -0.362 -0.123 -0.130) 0.404 8.251 ( -0.362 0.123 -0.130) 0.404 8.542 ( -0.487 -0.660 -0.134) 0.831 8.542 ( -0.487 0.660 -0.134) 0.831 8.594 ( -0.784 -1.311 0.609) 1.644 8.594 ( -0.784 1.311 0.609) 1.644 8.642 ( -0.892 -2.208 -0.129) 2.385 8.642 ( -0.892 2.208 -0.129) 2.385 8.676 ( -1.155 -1.582 -0.478) 2.016 8.676 ( -1.155 1.582 -0.478) 2.016 8.978 ( -0.045 -0.208 -0.035) 0.216 8.978 ( -0.045 0.208 -0.035) 0.216 9.032 ( -0.159 -0.758 0.140) 0.787 9.032 ( -0.159 0.758 0.140) 0.787 9.325 ( -0.860 -1.983 -0.137) 2.166 9.325 ( -0.860 1.983 -0.137) 2.166 9.380 ( -0.806 -2.525 -0.212) 2.659 9.380 ( -0.806 2.525 -0.212) 2.659 10.276 ( 1.103 -0.483 -0.499) 1.303 10.276 ( 1.103 0.483 -0.499) 1.303 10.321 ( 2.602 -0.700 -0.128) 2.698 10.321 ( 2.602 0.700 -0.128) 2.698 10.530 ( 0.214 -0.267 0.233) 0.414 10.530 ( 0.214 0.267 0.233) 0.414 10.565 ( 0.448 -1.468 0.242) 1.554 10.565 ( 0.448 1.468 0.242) 1.554 10.906 ( -0.838 -0.581 0.986) 1.419 10.906 ( -0.838 0.581 0.986) 1.419 10.929 ( -0.066 -0.409 -1.056) 1.134 10.929 ( -0.066 0.409 -1.056) 1.134 13.292 ( 0.427 -0.196 0.291) 0.553 13.292 ( 0.427 0.196 0.291) 0.553 13.387 ( 0.024 -0.101 -0.185) 0.213 13.387 ( 0.024 0.101 -0.185) 0.213 14.299 ( 0.379 -0.303 0.486) 0.687 14.299 ( 0.379 0.303 0.486) 0.687 14.364 ( -0.803 -0.113 -0.770) 1.119 14.364 ( -0.803 0.113 -0.770) 1.119 14.531 ( -0.738 -1.704 -1.293) 2.263 14.531 ( -0.738 1.704 -1.293) 2.263 14.596 ( 2.397 -1.356 2.327) 3.606 14.596 ( 2.397 1.356 2.328) 3.606 14.809 ( -3.470 -2.055 -3.104) 5.089 14.809 ( -3.470 2.055 -3.104) 5.089 14.918 ( 1.581 -1.922 1.483) 2.897 14.918 ( 1.581 1.922 1.483) 2.897 15.015 ( -0.777 -3.507 -0.071) 3.593 15.015 ( -0.777 3.507 -0.071) 3.593 15.131 ( 0.131 -0.389 0.301) 0.509 15.131 ( 0.131 0.389 0.301) 0.509 15.157 ( -1.176 -0.076 -0.885) 1.474 15.157 ( -1.176 0.076 -0.885) 1.474 15.230 ( -2.605 -4.658 0.692) 5.382 15.230 ( -2.605 4.658 0.692) 5.382 18.015 ( 0.505 -0.506 0.295) 0.774 18.015 ( 0.505 0.506 0.295) 0.774 18.030 ( 0.483 -0.027 -0.892) 1.014 18.030 ( 0.483 0.027 -0.892) 1.014 19.021 ( 2.192 -0.570 -0.489) 2.317 19.021 ( 2.192 0.570 -0.489) 2.317 19.217 ( 0.411 -0.572 0.811) 1.074 19.217 ( 0.411 0.572 0.811) 1.074 21.514 ( -0.407 -2.446 -1.215) 2.762 21.514 ( -0.407 2.446 -1.215) 2.762 21.979 ( -3.005 -1.316 -0.166) 3.284 21.979 ( -3.005 1.316 -0.166) 3.284 22.139 ( 2.005 -0.471 0.695) 2.174 22.139 ( 2.005 0.471 0.695) 2.174 22.289 ( -1.579 -0.588 -0.977) 1.948 22.289 ( -1.579 0.588 -0.977) 1.948 23.946 ( 0.638 -0.047 0.709) 0.955 23.946 ( 0.638 0.047 0.709) 0.955 24.019 ( -0.614 -0.039 -0.696) 0.929 24.019 ( -0.614 0.039 -0.696) 0.929 27.610 ( -4.076 -4.523 -4.604) 7.634 27.610 ( -4.076 4.523 -4.604) 7.634 27.767 ( 1.673 -2.216 0.901) 2.919 27.767 ( 1.673 2.216 0.901) 2.919 28.061 ( -4.401 -10.352 6.215) 12.851 28.061 ( -4.401 10.352 6.215) 12.851 28.489 ( -0.461 -5.321 -6.752) 8.609 28.489 ( -0.461 5.321 -6.752) 8.609 31.521 ( -0.355 -1.427 0.047) 1.471 31.521 ( -0.355 1.427 0.047) 1.471 31.567 ( -3.091 -0.650 -0.871) 3.277 31.567 ( -3.091 0.650 -0.871) 3.277 31.672 ( 0.330 -2.124 1.741) 2.766 31.672 ( 0.330 2.124 1.741) 2.766 32.131 ( -0.085 -5.281 -5.689) 7.763 32.131 ( -0.085 5.281 -5.689) 7.763 33.322 ( -0.471 -0.646 0.630) 1.017 33.322 ( -0.471 0.646 0.630) 1.017 33.423 ( 1.307 -1.610 0.113) 2.077 33.423 ( 1.307 1.610 0.113) 2.077 36.451 ( 0.361 -2.617 -0.602) 2.710 36.451 ( 0.361 2.617 -0.602) 2.710 36.527 ( 0.763 -1.505 -0.102) 1.690 36.527 ( 0.763 1.505 -0.102) 1.690 36.675 ( -3.554 -0.497 -1.697) 3.969 36.675 ( -3.554 0.497 -1.697) 3.969 36.879 ( -7.214 -3.145 4.337) 8.986 36.879 ( -7.214 3.145 4.337) 8.986 37.021 ( -1.848 -1.974 6.365) 6.915 37.021 ( -1.848 1.974 6.365) 6.915 37.647 ( 16.937 -17.422 -2.077) 24.386 37.647 ( 16.937 17.422 -2.077) 24.386 ======================= Grid point 88 (50/54) ======================= q-point: ( 0.29 -0.50 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 13.206 -4.671 2.200) 14.179 1.202 ( 13.206 4.671 2.200) 14.179 1.341 ( 10.244 -8.110 4.477) 13.811 1.341 ( 10.244 8.110 4.477) 13.811 1.547 ( 6.590 -4.584 -2.686) 8.465 1.547 ( 6.590 4.584 -2.686) 8.465 1.718 ( 4.434 -2.573 -1.885) 5.462 1.718 ( 4.434 2.573 -1.885) 5.462 1.831 ( -3.756 -2.299 0.922) 4.499 1.831 ( -3.756 2.299 0.922) 4.499 1.930 ( 4.876 -5.131 0.195) 7.081 1.930 ( 4.876 5.131 0.195) 7.081 2.047 ( 3.785 -5.720 2.021) 7.150 2.047 ( 3.785 5.720 2.021) 7.150 2.130 ( 7.634 -7.587 4.686) 11.739 2.130 ( 7.634 7.587 4.686) 11.739 2.218 ( 3.932 -3.678 2.285) 5.849 2.218 ( 3.932 3.678 2.285) 5.849 2.272 ( 1.798 -1.530 -0.391) 2.393 2.272 ( 1.798 1.530 -0.391) 2.393 2.535 ( 2.852 -3.708 0.290) 4.687 2.535 ( 2.852 3.708 0.290) 4.687 2.618 ( 5.734 -1.489 -1.495) 6.110 2.618 ( 5.734 1.489 -1.495) 6.110 2.731 ( 3.599 -0.312 -0.508) 3.648 2.731 ( 3.599 0.312 -0.508) 3.648 2.878 ( -2.517 -2.330 -1.171) 3.624 2.878 ( -2.517 2.330 -1.171) 3.624 2.940 ( 0.347 -3.603 2.243) 4.259 2.940 ( 0.347 3.603 2.243) 4.259 3.042 ( 0.497 -3.284 -4.366) 5.486 3.042 ( 0.497 3.284 -4.366) 5.486 3.193 ( -1.916 -4.538 -0.894) 5.007 3.193 ( -1.916 4.538 -0.894) 5.007 3.264 ( -4.678 -1.098 -5.260) 7.124 3.264 ( -4.678 1.098 -5.260) 7.124 3.416 ( 0.479 -1.836 -1.726) 2.565 3.416 ( 0.479 1.836 -1.726) 2.565 3.512 ( -2.988 -2.489 4.323) 5.815 3.512 ( -2.988 2.489 4.323) 5.815 3.628 ( -2.778 -2.191 0.778) 3.622 3.628 ( -2.778 2.191 0.778) 3.622 3.674 ( -4.782 -2.868 3.251) 6.455 3.674 ( -4.782 2.868 3.251) 6.455 3.768 ( 0.670 -2.788 -1.453) 3.214 3.768 ( 0.670 2.788 -1.453) 3.214 3.808 ( -3.847 -1.827 -1.144) 4.410 3.808 ( -3.847 1.827 -1.144) 4.410 3.945 ( -0.216 -3.811 0.337) 3.832 3.945 ( -0.216 3.811 0.337) 3.832 4.116 ( -0.885 -7.311 1.397) 7.496 4.116 ( -0.885 7.311 1.397) 7.496 4.238 ( -2.162 -2.234 2.412) 3.935 4.238 ( -2.162 2.234 2.412) 3.935 4.497 ( 0.335 -4.305 0.241) 4.325 4.497 ( 0.335 4.305 0.241) 4.325 4.614 ( -0.517 -0.960 -2.077) 2.346 4.614 ( -0.517 0.960 -2.077) 2.346 4.704 ( 0.543 -0.366 -0.447) 0.793 4.704 ( 0.543 0.366 -0.447) 0.793 4.840 ( 2.716 -2.339 -0.883) 3.691 4.840 ( 2.716 2.339 -0.883) 3.691 5.029 ( -4.741 -3.453 -2.966) 6.572 5.029 ( -4.741 3.453 -2.966) 6.572 5.317 ( 2.698 -2.453 2.183) 4.250 5.317 ( 2.698 2.453 2.183) 4.250 5.661 ( -0.850 -0.434 -0.660) 1.161 5.661 ( -0.850 0.434 -0.660) 1.161 5.787 ( 0.910 -2.793 1.627) 3.358 5.787 ( 0.910 2.793 1.627) 3.358 6.030 ( -0.628 -1.794 1.489) 2.415 6.030 ( -0.628 1.794 1.489) 2.415 8.177 ( 1.567 -1.321 0.190) 2.058 8.177 ( 1.567 1.321 0.190) 2.058 8.238 ( -0.716 -0.152 -0.078) 0.736 8.238 ( -0.716 0.152 -0.078) 0.736 8.527 ( -1.000 -0.615 -0.459) 1.260 8.527 ( -1.000 0.615 -0.459) 1.260 8.572 ( -0.960 -1.666 -0.314) 1.948 8.572 ( -0.960 1.666 -0.314) 1.948 8.626 ( -1.378 -0.803 -0.834) 1.800 8.626 ( -1.378 0.803 -0.834) 1.800 8.653 ( 0.045 -1.915 0.098) 1.918 8.653 ( 0.045 1.915 0.098) 1.918 8.981 ( 0.178 -0.083 0.457) 0.497 8.981 ( 0.178 0.083 0.457) 0.497 9.023 ( -0.541 -0.965 -0.324) 1.153 9.023 ( -0.541 0.965 -0.324) 1.153 9.309 ( -0.541 -2.020 -0.115) 2.094 9.309 ( -0.541 2.020 -0.115) 2.094 9.358 ( -0.973 -2.499 -0.311) 2.700 9.358 ( -0.973 2.499 -0.311) 2.700 10.309 ( 1.991 -0.333 0.395) 2.057 10.309 ( 1.991 0.333 0.395) 2.057 10.363 ( 1.908 -1.243 -0.612) 2.359 10.363 ( 1.908 1.243 -0.612) 2.359 10.531 ( 0.064 -0.761 -1.001) 1.259 10.531 ( 0.064 0.761 -1.001) 1.259 10.583 ( 0.575 -0.913 1.227) 1.634 10.583 ( 0.575 0.913 1.227) 1.634 10.896 ( -1.251 -1.162 0.994) 1.976 10.896 ( -1.251 1.162 0.994) 1.976 10.917 ( -0.102 -0.462 -0.603) 0.766 10.917 ( -0.102 0.462 -0.603) 0.766 13.307 ( 0.505 -0.145 0.600) 0.798 13.307 ( 0.505 0.145 0.600) 0.798 13.385 ( 0.041 -0.285 -0.354) 0.456 13.385 ( 0.041 0.285 -0.354) 0.456 14.311 ( 0.121 -0.847 0.112) 0.863 14.311 ( 0.121 0.847 0.112) 0.863 14.343 ( -0.308 -0.497 -0.147) 0.603 14.343 ( -0.308 0.497 -0.147) 0.603 14.527 ( 0.664 -1.639 0.470) 1.830 14.527 ( 0.664 1.639 0.470) 1.830 14.661 ( 1.454 -0.902 2.342) 2.900 14.661 ( 1.454 0.902 2.342) 2.900 14.722 ( -1.888 -1.813 -1.831) 3.194 14.722 ( -1.888 1.813 -1.831) 3.194 14.945 ( 0.424 -2.892 0.126) 2.926 14.945 ( 0.424 2.892 0.126) 2.926 14.994 ( -1.165 -4.104 0.552) 4.302 14.994 ( -1.165 4.104 0.552) 4.302 15.110 ( -2.627 -1.258 -1.175) 3.141 15.110 ( -2.627 1.258 -1.175) 3.141 15.138 ( 0.432 -1.125 -0.100) 1.210 15.138 ( 0.432 1.125 -0.100) 1.210 15.196 ( -1.462 -3.914 0.730) 4.241 15.196 ( -1.462 3.914 0.730) 4.241 18.010 ( -0.283 -0.465 -1.073) 1.203 18.010 ( -0.283 0.465 -1.073) 1.203 18.045 ( 0.875 -0.523 0.216) 1.042 18.045 ( 0.875 0.523 0.216) 1.042 19.069 ( 2.567 -0.659 0.236) 2.661 19.069 ( 2.567 0.659 0.236) 2.661 19.230 ( 0.150 -1.012 0.338) 1.078 19.230 ( 0.150 1.012 0.338) 1.078 21.488 ( -0.185 -3.861 -2.310) 4.503 21.488 ( -0.185 3.861 -2.310) 4.503 21.924 ( -2.241 -1.169 -0.429) 2.564 21.924 ( -2.241 1.169 -0.429) 2.564 22.178 ( 1.180 -0.480 0.795) 1.501 22.178 ( 1.180 0.480 0.795) 1.501 22.245 ( -1.957 -0.834 -0.656) 2.226 22.245 ( -1.957 0.834 -0.656) 2.226 23.971 ( 0.537 -0.094 0.818) 0.983 23.971 ( 0.537 0.094 0.818) 0.983 23.995 ( -0.524 -0.064 -0.833) 0.986 23.995 ( -0.524 0.064 -0.833) 0.986 27.537 ( -0.250 -4.334 -0.311) 4.353 27.537 ( -0.250 4.334 -0.311) 4.353 27.772 ( -0.205 -6.044 -1.638) 6.265 27.772 ( -0.205 6.044 -1.638) 6.265 28.029 ( -3.892 -8.857 4.224) 10.557 28.029 ( -3.892 8.857 4.224) 10.557 28.407 ( -2.618 -10.043 -4.284) 11.228 28.407 ( -2.618 10.043 -4.284) 11.228 31.506 ( -1.145 -1.884 0.658) 2.301 31.506 ( -1.145 1.884 0.658) 2.301 31.533 ( -0.288 -0.586 0.116) 0.663 31.533 ( -0.288 0.586 0.116) 0.663 31.673 ( -1.513 -1.629 1.877) 2.910 31.673 ( -1.513 1.629 1.877) 2.910 32.053 ( -1.794 -6.250 -6.552) 9.231 32.053 ( -1.794 6.250 -6.552) 9.231 33.325 ( 0.282 -0.239 0.160) 0.403 33.325 ( 0.282 0.239 0.160) 0.403 33.449 ( 1.060 -1.351 0.331) 1.748 33.449 ( 1.060 1.351 0.331) 1.748 36.440 ( -0.876 -2.584 -0.330) 2.749 36.440 ( -0.876 2.584 -0.330) 2.749 36.516 ( -1.478 -2.071 -1.395) 2.901 36.516 ( -1.478 2.071 -1.395) 2.901 36.631 ( 0.169 -2.455 -0.203) 2.470 36.631 ( 0.169 2.455 -0.203) 2.470 36.762 ( -4.634 -2.304 1.032) 5.277 36.762 ( -4.634 2.304 1.032) 5.277 37.156 ( 4.082 -5.456 10.702) 12.687 37.156 ( 4.082 5.456 10.702) 12.687 37.867 ( 8.710 -19.231 -5.216) 21.746 37.867 ( 8.710 19.231 -5.216) 21.746 ======================= Grid point 90 (51/54) ======================= q-point: ( 0.43 -0.50 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 1.885 -1.573 0.496) 2.505 1.357 ( 1.885 1.573 0.496) 2.505 1.574 ( 8.168 -11.474 -3.231) 14.450 1.574 ( 8.168 11.474 -3.231) 14.450 1.639 ( 0.798 -4.065 1.615) 4.446 1.639 ( 0.798 4.065 1.615) 4.446 1.724 ( 1.485 -1.921 3.552) 4.303 1.724 ( 1.485 1.921 3.552) 4.303 1.799 ( 0.384 -0.403 -1.671) 1.761 1.799 ( 0.384 0.403 -1.671) 1.761 1.929 ( -1.553 -2.720 3.075) 4.389 1.929 ( -1.553 2.720 3.075) 4.389 2.103 ( -4.716 -5.192 7.237) 10.079 2.103 ( -4.716 5.192 7.237) 10.079 2.203 ( 3.264 -1.692 -3.197) 4.872 2.203 ( 3.264 1.692 -3.197) 4.872 2.345 ( 5.748 -2.659 -0.207) 6.337 2.345 ( 5.748 2.659 -0.207) 6.337 2.429 ( 8.013 -4.580 -1.366) 9.330 2.429 ( 8.013 4.580 -1.366) 9.330 2.574 ( 0.297 -3.022 1.351) 3.324 2.574 ( 0.297 3.022 1.351) 3.324 2.713 ( 5.144 -2.978 -1.625) 6.162 2.713 ( 5.144 2.978 -1.625) 6.162 2.787 ( 1.747 -5.140 -2.144) 5.836 2.787 ( 1.747 5.140 -2.144) 5.836 2.824 ( -1.356 -2.538 0.603) 2.940 2.824 ( -1.356 2.538 0.603) 2.940 2.893 ( -3.329 -3.187 3.063) 5.534 2.893 ( -3.329 3.187 3.063) 5.534 3.065 ( -1.690 -2.274 -1.841) 3.378 3.065 ( -1.690 2.274 -1.841) 3.378 3.147 ( -0.068 -1.593 -1.300) 2.057 3.147 ( -0.068 1.593 -1.300) 2.057 3.227 ( 3.593 -1.100 -1.210) 3.948 3.227 ( 3.593 1.100 -1.210) 3.948 3.346 ( -6.308 -3.895 -0.344) 7.421 3.346 ( -6.308 3.895 -0.344) 7.421 3.448 ( -0.934 -3.880 -0.829) 4.076 3.448 ( -0.934 3.880 -0.829) 4.076 3.580 ( -2.201 -4.699 1.456) 5.389 3.580 ( -2.201 4.699 1.456) 5.389 3.643 ( -3.580 -1.477 -0.691) 3.934 3.643 ( -3.580 1.477 -0.691) 3.934 3.754 ( 0.492 -4.129 -1.014) 4.280 3.754 ( 0.492 4.129 -1.014) 4.280 3.835 ( 4.784 -1.718 3.206) 6.010 3.835 ( 4.784 1.718 3.206) 6.010 4.020 ( 3.314 -2.074 2.857) 4.842 4.020 ( 3.314 2.074 2.857) 4.842 4.095 ( -0.648 -4.482 2.861) 5.357 4.095 ( -0.648 4.482 2.861) 5.357 4.188 ( -2.835 -3.820 -0.771) 4.819 4.188 ( -2.835 3.820 -0.771) 4.819 4.463 ( -3.457 -5.199 -3.127) 6.983 4.463 ( -3.457 5.199 -3.127) 6.983 4.593 ( 1.851 -1.295 -0.796) 2.396 4.593 ( 1.851 1.295 -0.796) 2.396 4.709 ( -1.050 -0.079 -0.146) 1.063 4.709 ( -1.050 0.079 -0.146) 1.063 4.830 ( -3.899 -1.836 -3.126) 5.324 4.830 ( -3.899 1.836 -3.126) 5.324 4.916 ( 0.407 -3.031 -2.427) 3.904 4.916 ( 0.407 3.031 -2.427) 3.904 5.441 ( 4.268 -4.053 5.983) 8.393 5.441 ( 4.268 4.053 5.983) 8.393 5.627 ( -1.539 -0.872 -1.826) 2.542 5.627 ( -1.539 0.872 -1.826) 2.542 5.804 ( 0.033 -1.613 0.010) 1.613 5.804 ( 0.033 1.613 0.010) 1.613 6.010 ( -1.633 -0.780 0.388) 1.851 6.010 ( -1.633 0.780 0.388) 1.851 8.208 ( 1.262 -1.235 -0.026) 1.766 8.208 ( 1.262 1.235 -0.026) 1.766 8.226 ( -0.558 -0.634 0.377) 0.925 8.226 ( -0.558 0.634 0.377) 0.925 8.506 ( -0.418 -0.426 -0.678) 0.903 8.506 ( -0.418 0.426 -0.678) 0.903 8.549 ( -0.907 -0.615 -0.647) 1.273 8.549 ( -0.907 0.615 -0.647) 1.273 8.600 ( -0.441 -0.554 -0.513) 0.874 8.600 ( -0.441 0.554 -0.513) 0.874 8.662 ( 0.362 -0.794 0.409) 0.964 8.662 ( 0.362 0.794 0.409) 0.964 8.990 ( 0.066 -0.177 0.775) 0.798 8.990 ( 0.066 0.177 0.775) 0.798 9.012 ( -0.087 -0.532 -0.540) 0.763 9.012 ( -0.087 0.532 -0.540) 0.763 9.301 ( -0.231 -0.994 -0.075) 1.023 9.301 ( -0.231 0.994 -0.075) 1.023 9.343 ( -0.336 -1.102 -0.213) 1.172 9.343 ( -0.336 1.102 -0.213) 1.172 10.346 ( 1.067 -0.191 0.709) 1.296 10.346 ( 1.067 0.191 0.709) 1.296 10.381 ( 0.580 -1.001 -0.825) 1.421 10.381 ( 0.580 1.001 -0.825) 1.421 10.519 ( -0.257 -0.504 -0.913) 1.074 10.519 ( -0.257 0.504 -0.913) 1.074 10.598 ( 0.072 -0.102 0.613) 0.626 10.598 ( 0.072 0.102 0.613) 0.626 10.878 ( -0.883 -0.859 0.297) 1.267 10.878 ( -0.883 0.859 0.297) 1.267 10.917 ( 0.227 -0.328 0.046) 0.402 10.917 ( 0.227 0.328 0.046) 0.402 13.317 ( 0.123 -0.056 0.407) 0.429 13.317 ( 0.123 0.056 0.407) 0.429 13.384 ( 0.099 -0.319 -0.229) 0.406 13.384 ( 0.099 0.319 -0.229) 0.406 14.300 ( -0.502 -0.275 -0.623) 0.846 14.300 ( -0.502 0.275 -0.623) 0.846 14.355 ( 0.639 -0.149 0.729) 0.981 14.355 ( 0.639 0.149 0.729) 0.981 14.549 ( 0.652 -1.327 0.652) 1.616 14.549 ( 0.652 1.327 0.652) 1.616 14.649 ( -1.047 -1.555 -0.519) 1.945 14.649 ( -1.047 1.555 -0.519) 1.945 14.769 ( 3.167 -1.020 4.106) 5.285 14.769 ( 3.167 1.020 4.106) 5.285 14.934 ( -0.976 -2.662 -1.302) 3.120 14.934 ( -0.976 2.662 -1.302) 3.120 14.988 ( -0.264 -5.088 0.925) 5.179 14.988 ( -0.264 5.088 0.925) 5.179 15.043 ( -2.336 -0.908 -1.873) 3.129 15.043 ( -2.336 0.908 -1.873) 3.129 15.145 ( 0.288 -0.591 -0.132) 0.671 15.145 ( 0.288 0.591 -0.132) 0.671 15.184 ( -0.327 -1.786 0.086) 1.817 15.184 ( -0.327 1.786 0.086) 1.817 17.995 ( -0.192 -0.364 -0.925) 1.012 17.995 ( -0.192 0.364 -0.925) 1.012 18.057 ( 0.258 -0.411 0.057) 0.488 18.057 ( 0.258 0.411 0.057) 0.488 19.116 ( 1.685 -0.230 0.573) 1.794 19.116 ( 1.685 0.230 0.573) 1.794 19.224 ( -0.735 -0.968 -0.207) 1.233 19.224 ( -0.735 0.968 -0.207) 1.233 21.473 ( 0.278 -2.679 -1.612) 3.139 21.473 ( 0.278 2.679 -1.612) 3.139 21.888 ( -0.854 -0.622 -0.593) 1.211 21.888 ( -0.854 0.622 -0.593) 1.211 22.195 ( -0.422 -1.671 0.896) 1.942 22.195 ( -0.422 1.671 0.896) 1.942 22.215 ( -0.072 -1.796 -0.771) 1.956 22.215 ( -0.072 1.796 -0.771) 1.956 23.954 ( -0.835 -0.048 -0.805) 1.161 23.954 ( -0.835 0.048 -0.805) 1.161 24.011 ( 0.823 -0.046 0.776) 1.132 24.011 ( 0.823 0.046 0.776) 1.132 27.587 ( 2.735 -6.116 4.262) 7.940 27.587 ( 2.735 6.116 4.262) 7.940 27.745 ( -0.679 -4.831 -2.771) 5.610 27.745 ( -0.679 4.831 -2.771) 5.610 27.994 ( -2.177 -3.111 1.926) 4.258 27.994 ( -2.177 3.111 1.926) 4.258 28.326 ( -1.556 -7.820 -3.619) 8.756 28.326 ( -1.556 7.820 -3.619) 8.756 31.505 ( 0.197 -2.213 0.828) 2.371 31.505 ( 0.197 2.213 0.828) 2.371 31.534 ( -0.065 -2.003 0.553) 2.079 31.534 ( -0.065 2.003 0.553) 2.079 31.665 ( -0.841 -1.301 2.160) 2.658 31.665 ( -0.841 1.301 2.160) 2.658 31.963 ( -1.296 -4.582 -5.932) 7.607 31.963 ( -1.296 4.582 -5.932) 7.607 33.332 ( 0.493 -0.208 -0.353) 0.641 33.332 ( 0.493 0.208 -0.353) 0.641 33.466 ( 0.217 -0.672 0.583) 0.915 33.466 ( 0.217 0.672 0.583) 0.915 36.426 ( -0.092 -1.273 0.073) 1.278 36.426 ( -0.092 1.273 0.073) 1.278 36.472 ( -1.368 -1.160 -1.334) 2.236 36.472 ( -1.368 1.160 -1.334) 2.236 36.641 ( -0.181 -1.908 0.996) 2.160 36.641 ( -0.181 1.908 0.996) 2.160 36.723 ( 0.131 -3.212 -1.315) 3.473 36.723 ( 0.131 3.212 -1.315) 3.473 37.322 ( 2.044 -7.137 11.617) 13.787 37.322 ( 2.044 7.137 11.617) 13.787 37.897 ( 1.132 -14.488 -7.635) 16.416 37.897 ( 1.132 14.488 -7.635) 16.416 ======================= Grid point 92 (52/54) ======================= q-point: (-0.43 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -2.339 -1.757 0.904) 3.062 1.361 ( -2.339 1.757 0.904) 3.062 1.514 ( -7.114 -7.563 1.288) 10.462 1.514 ( -7.114 7.563 1.288) 10.462 1.633 ( -2.533 -7.439 1.659) 8.031 1.633 ( -2.533 7.439 1.659) 8.031 1.769 ( 2.711 -4.051 -1.946) 5.249 1.769 ( 2.711 4.051 -1.946) 5.249 1.806 ( -5.725 -2.429 -1.196) 6.333 1.806 ( -5.725 2.429 -1.196) 6.333 1.984 ( 4.781 -2.780 -0.003) 5.531 1.984 ( 4.781 2.780 -0.003) 5.531 2.076 ( -3.480 -2.940 7.850) 9.077 2.076 ( -3.480 2.940 7.850) 9.077 2.225 ( 1.853 -3.718 -2.967) 5.105 2.225 ( 1.853 3.718 -2.967) 5.105 2.347 ( -4.372 -1.181 -2.433) 5.140 2.347 ( -4.372 1.181 -2.433) 5.140 2.420 ( -5.794 -2.004 -0.434) 6.146 2.420 ( -5.794 2.004 -0.434) 6.146 2.574 ( -5.606 -1.360 1.973) 6.097 2.574 ( -5.606 1.360 1.973) 6.097 2.694 ( -1.490 -1.668 0.087) 2.238 2.694 ( -1.490 1.668 0.087) 2.238 2.768 ( -4.642 -5.137 -1.041) 7.002 2.768 ( -4.642 5.137 -1.041) 7.002 2.807 ( 1.561 -1.318 2.190) 2.995 2.807 ( 1.561 1.318 2.190) 2.995 2.936 ( 1.994 -1.292 -0.867) 2.529 2.936 ( 1.994 1.292 -0.867) 2.529 3.081 ( 4.407 -2.820 -2.541) 5.816 3.081 ( 4.407 2.820 -2.541) 5.816 3.125 ( -0.628 -2.058 0.627) 2.241 3.125 ( -0.628 2.058 0.627) 2.241 3.217 ( -2.346 -1.303 -1.597) 3.122 3.217 ( -2.346 1.303 -1.597) 3.122 3.357 ( 2.605 -1.515 4.045) 5.045 3.357 ( 2.605 1.515 4.045) 5.045 3.407 ( 0.042 -4.773 -2.023) 5.184 3.407 ( 0.042 4.773 -2.023) 5.184 3.579 ( 3.242 -4.645 2.799) 6.319 3.579 ( 3.242 4.645 2.799) 6.319 3.655 ( 4.831 -4.775 -2.614) 7.278 3.655 ( 4.831 4.775 -2.614) 7.278 3.740 ( -1.942 -2.432 0.465) 3.146 3.740 ( -1.942 2.432 0.465) 3.146 3.897 ( 0.435 -2.261 -2.449) 3.361 3.897 ( 0.435 2.261 -2.449) 3.361 4.053 ( -1.299 -4.220 0.077) 4.416 4.053 ( -1.299 4.220 0.077) 4.416 4.104 ( -0.272 -0.306 -1.003) 1.084 4.104 ( -0.272 0.306 -1.003) 1.084 4.209 ( 2.440 -1.817 1.158) 3.255 4.209 ( 2.440 1.817 1.158) 3.255 4.407 ( 3.289 -1.195 0.525) 3.538 4.407 ( 3.289 1.195 0.525) 3.538 4.623 ( -3.939 -2.325 -4.339) 6.305 4.623 ( -3.939 2.325 -4.339) 6.305 4.672 ( 3.767 -2.199 2.997) 5.292 4.672 ( 3.767 2.199 2.997) 5.292 4.789 ( 0.284 -1.208 1.982) 2.338 4.789 ( 0.284 1.208 1.982) 2.338 4.905 ( -0.935 -1.531 -1.018) 2.063 4.905 ( -0.935 1.531 -1.018) 2.063 5.527 ( -1.572 -0.576 -1.934) 2.558 5.527 ( -1.572 0.576 -1.934) 2.558 5.591 ( 1.776 -1.534 1.127) 2.603 5.591 ( 1.776 1.534 1.127) 2.603 5.800 ( -0.198 -0.930 0.284) 0.992 5.800 ( -0.198 0.930 0.284) 0.992 6.001 ( 0.253 -0.302 1.252) 1.313 6.001 ( 0.253 0.302 1.252) 1.313 8.204 ( -1.263 -0.743 0.385) 1.515 8.204 ( -1.263 0.743 0.385) 1.515 8.235 ( 0.710 -0.592 -0.423) 1.017 8.235 ( 0.710 0.592 -0.423) 1.017 8.501 ( 0.344 -0.317 -0.231) 0.522 8.501 ( 0.344 0.317 -0.231) 0.522 8.540 ( 0.335 -0.141 0.200) 0.415 8.540 ( 0.335 0.141 0.200) 0.415 8.595 ( 0.052 -0.171 0.082) 0.196 8.595 ( 0.052 0.171 0.082) 0.196 8.667 ( -0.042 -0.565 -0.118) 0.578 8.667 ( -0.042 0.565 -0.118) 0.578 8.997 ( 0.122 -0.601 0.536) 0.814 8.997 ( 0.122 0.601 0.536) 0.814 9.007 ( -0.039 -0.144 -0.520) 0.541 9.007 ( -0.039 0.144 -0.520) 0.541 9.300 ( 0.179 -0.327 0.031) 0.374 9.300 ( 0.179 0.327 0.031) 0.374 9.342 ( 0.397 -0.483 -0.156) 0.644 9.342 ( 0.397 0.483 -0.156) 0.644 10.353 ( -0.902 -0.521 0.184) 1.058 10.353 ( -0.902 0.521 0.184) 1.058 10.376 ( -0.235 -0.767 -0.564) 0.981 10.376 ( -0.235 0.767 -0.564) 0.981 10.509 ( -0.232 -0.238 0.046) 0.336 10.509 ( -0.232 0.238 0.046) 0.336 10.601 ( -0.095 -0.095 0.278) 0.309 10.601 ( -0.095 0.095 0.278) 0.309 10.876 ( 0.312 -0.071 0.468) 0.567 10.876 ( 0.312 0.071 0.468) 0.567 10.924 ( 0.620 -0.452 -0.502) 0.917 10.924 ( 0.620 0.452 -0.502) 0.917 13.320 ( -0.113 -0.084 0.188) 0.235 13.320 ( -0.113 0.084 0.188) 0.235 13.383 ( -0.079 -0.053 -0.131) 0.162 13.383 ( -0.079 0.053 -0.131) 0.162 14.293 ( 0.153 -0.040 0.075) 0.175 14.293 ( 0.153 0.040 0.075) 0.175 14.365 ( -0.055 -0.185 -0.221) 0.293 14.365 ( -0.055 0.185 -0.221) 0.293 14.557 ( -0.085 -0.471 -0.242) 0.536 14.557 ( -0.085 0.471 -0.242) 0.536 14.639 ( -0.021 -0.080 0.635) 0.640 14.639 ( -0.021 0.080 0.635) 0.640 14.840 ( -0.749 -0.616 -1.861) 2.098 14.840 ( -0.749 0.616 -1.861) 2.098 14.902 ( 0.784 -0.713 1.191) 1.595 14.902 ( 0.784 0.713 1.191) 1.595 14.993 ( -0.178 -3.009 1.171) 3.233 14.993 ( -0.178 3.009 1.171) 3.233 15.022 ( 1.699 -3.527 -0.751) 3.986 15.022 ( 1.699 3.527 -0.751) 3.986 15.146 ( -0.081 -0.299 -0.157) 0.347 15.146 ( -0.081 0.299 -0.157) 0.347 15.185 ( 0.591 -0.452 -0.095) 0.750 15.185 ( 0.591 0.452 -0.095) 0.750 17.989 ( 0.156 -0.034 -0.295) 0.336 17.989 ( 0.156 0.034 -0.295) 0.336 18.057 ( -0.204 -0.260 -0.036) 0.332 18.057 ( -0.204 0.260 -0.036) 0.332 19.128 ( -0.712 -0.159 -0.679) 0.997 19.128 ( -0.712 0.159 -0.679) 0.997 19.214 ( -0.234 -0.071 0.852) 0.886 19.214 ( -0.234 0.071 0.852) 0.886 21.463 ( -0.341 -0.213 -0.688) 0.797 21.463 ( -0.341 0.213 -0.688) 0.797 21.885 ( 0.950 -0.489 -0.258) 1.099 21.885 ( 0.950 0.489 -0.258) 1.099 22.186 ( -0.976 -1.212 1.107) 1.910 22.186 ( -0.976 1.212 1.107) 1.910 22.225 ( 1.515 -1.982 -1.073) 2.716 22.225 ( 1.515 1.982 -1.073) 2.716 23.944 ( 0.175 -0.049 0.222) 0.287 23.944 ( 0.175 0.049 0.222) 0.287 24.021 ( -0.191 -0.013 -0.212) 0.285 24.021 ( -0.191 0.013 -0.212) 0.285 27.661 ( -0.958 -2.271 -0.699) 2.562 27.661 ( -0.958 2.271 -0.699) 2.562 27.702 ( 0.956 -1.439 -0.590) 1.826 27.702 ( 0.956 1.439 -0.590) 1.826 27.988 ( -0.183 -0.928 2.462) 2.638 27.988 ( -0.183 0.928 2.462) 2.638 28.314 ( 3.684 -2.179 -2.638) 5.027 28.314 ( 3.684 2.179 -2.638) 5.027 31.512 ( -0.012 -0.640 0.158) 0.660 31.512 ( -0.012 0.640 0.158) 0.660 31.545 ( 0.944 -0.815 -0.513) 1.349 31.545 ( 0.944 0.815 -0.513) 1.349 31.680 ( 0.433 -0.721 1.607) 1.814 31.680 ( 0.433 0.721 1.607) 1.814 31.916 ( 0.782 -0.899 -2.315) 2.604 31.916 ( 0.782 0.899 -2.315) 2.604 33.336 ( 0.454 -0.496 -0.776) 1.027 33.336 ( 0.454 0.496 -0.776) 1.027 33.466 ( -0.902 -0.197 0.678) 1.145 33.466 ( -0.902 0.197 0.678) 1.145 36.436 ( 0.744 -0.567 -1.044) 1.402 36.436 ( 0.744 0.567 -1.044) 1.402 36.455 ( 0.948 -1.303 0.420) 1.665 36.455 ( 0.948 1.303 0.420) 1.665 36.638 ( -1.095 -2.766 1.140) 3.186 36.638 ( -1.095 2.766 1.140) 3.186 36.729 ( 1.962 -3.995 -1.779) 4.793 36.729 ( 1.962 3.995 -1.779) 4.793 37.410 ( -1.927 -4.809 5.579) 7.613 37.410 ( -1.927 4.809 5.579) 7.613 37.816 ( -3.627 -3.112 -2.354) 5.328 37.816 ( -3.627 3.112 -2.354) 5.328 ======================= Grid point 94 (53/54) ======================= q-point: (-0.29 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -12.621 -7.106 -0.462) 14.492 1.222 ( -12.621 7.106 -0.462) 14.492 1.395 ( -3.474 -10.621 0.409) 11.182 1.395 ( -3.474 10.621 0.409) 11.182 1.549 ( -14.485 -5.839 -4.477) 16.246 1.549 ( -14.485 5.839 -4.477) 16.246 1.674 ( -3.627 -5.722 2.344) 7.169 1.674 ( -3.627 5.722 2.344) 7.169 1.789 ( 1.582 -4.724 5.719) 7.585 1.789 ( 1.582 4.724 5.719) 7.585 1.986 ( -3.702 -4.670 -3.339) 6.831 1.986 ( -3.702 4.670 -3.339) 6.831 2.048 ( -4.114 -2.967 0.213) 5.077 2.048 ( -4.114 2.967 0.213) 5.077 2.188 ( -8.104 -5.475 -0.565) 9.796 2.188 ( -8.104 5.475 -0.565) 9.796 2.225 ( -1.435 -3.577 -0.565) 3.895 2.225 ( -1.435 3.577 -0.565) 3.895 2.352 ( 2.476 -4.180 -5.532) 7.363 2.352 ( 2.476 4.180 -5.532) 7.363 2.484 ( -4.400 -4.705 4.913) 8.102 2.484 ( -4.400 4.705 4.913) 8.102 2.593 ( -10.443 -3.527 2.061) 11.213 2.593 ( -10.443 3.527 2.061) 11.213 2.707 ( -1.578 -1.813 -0.053) 2.405 2.707 ( -1.578 1.813 -0.053) 2.405 2.836 ( -0.705 -0.804 2.568) 2.782 2.836 ( -0.705 0.804 2.568) 2.782 2.958 ( -0.108 -2.518 1.310) 2.840 2.958 ( -0.108 2.518 1.310) 2.840 3.038 ( -2.650 -6.031 -4.293) 7.863 3.038 ( -2.650 6.031 -4.293) 7.863 3.133 ( 0.896 -3.261 4.820) 5.888 3.133 ( 0.896 3.261 4.820) 5.888 3.206 ( 3.248 -1.090 0.190) 3.431 3.206 ( 3.248 1.090 0.190) 3.431 3.419 ( 1.795 -1.547 -1.272) 2.689 3.419 ( 1.795 1.547 -1.272) 2.689 3.548 ( 8.833 -3.689 0.955) 9.620 3.548 ( 8.833 3.689 0.955) 9.620 3.626 ( 1.723 -6.354 -2.162) 6.929 3.626 ( 1.723 6.354 -2.162) 6.929 3.729 ( 1.117 -4.592 1.050) 4.841 3.729 ( 1.117 4.592 1.050) 4.841 3.779 ( 7.756 -4.865 -1.170) 9.230 3.779 ( 7.756 4.865 -1.170) 9.230 3.843 ( -1.931 -3.263 -5.979) 7.080 3.843 ( -1.931 3.263 -5.979) 7.080 3.960 ( -1.613 -2.682 -1.407) 3.432 3.960 ( -1.613 2.682 -1.407) 3.432 4.124 ( 0.784 -4.463 -0.078) 4.532 4.124 ( 0.784 4.463 -0.078) 4.532 4.299 ( 4.831 -2.270 -0.637) 5.375 4.299 ( 4.831 2.270 -0.637) 5.375 4.481 ( 0.544 -6.496 -0.587) 6.545 4.481 ( 0.544 6.496 -0.587) 6.545 4.553 ( -0.511 -1.208 2.920) 3.201 4.553 ( -0.511 1.208 2.920) 3.201 4.707 ( -1.445 -0.613 0.283) 1.595 4.707 ( -1.445 0.613 0.283) 1.595 4.837 ( -2.292 -1.045 -0.318) 2.539 4.837 ( -2.292 1.045 -0.318) 2.539 4.930 ( 6.552 -0.860 5.671) 8.708 4.930 ( 6.552 0.860 5.671) 8.708 5.407 ( -5.227 -3.259 -5.915) 8.540 5.407 ( -5.227 3.259 -5.915) 8.540 5.649 ( 1.751 -1.900 0.764) 2.694 5.649 ( 1.751 1.900 0.764) 2.694 5.801 ( -0.082 -2.700 0.155) 2.705 5.801 ( -0.082 2.700 0.155) 2.705 6.031 ( 0.670 -1.736 1.537) 2.414 6.031 ( 0.670 1.736 1.537) 2.414 8.178 ( -1.532 -1.197 0.095) 1.946 8.178 ( -1.532 1.197 0.095) 1.946 8.241 ( 0.506 -0.477 -0.317) 0.764 8.241 ( 0.506 0.477 -0.317) 0.764 8.518 ( 1.343 -0.712 0.433) 1.581 8.518 ( 1.343 0.712 0.433) 1.581 8.559 ( 0.715 -0.993 0.814) 1.470 8.559 ( 0.715 0.993 0.814) 1.470 8.607 ( 1.070 -1.285 0.940) 1.918 8.607 ( 1.070 1.285 0.940) 1.918 8.660 ( -0.328 -2.116 -0.522) 2.204 8.660 ( -0.328 2.116 -0.522) 2.204 8.992 ( -0.511 -0.317 -0.552) 0.816 8.992 ( -0.511 0.317 -0.552) 0.816 9.015 ( 0.785 -0.998 0.442) 1.345 9.015 ( 0.785 0.998 0.442) 1.345 9.307 ( 0.457 -1.672 0.069) 1.735 9.307 ( 0.457 1.672 0.069) 1.735 9.355 ( 0.947 -1.784 0.047) 2.020 9.355 ( 0.947 1.784 0.047) 2.020 10.318 ( -2.336 -1.009 -0.420) 2.579 10.318 ( -2.336 1.009 -0.420) 2.579 10.359 ( -1.139 -0.935 -0.366) 1.518 10.359 ( -1.139 0.935 -0.366) 1.518 10.512 ( -0.015 -0.613 0.912) 1.099 10.512 ( -0.015 0.613 0.912) 1.099 10.598 ( -0.382 -0.041 -0.267) 0.468 10.598 ( -0.382 0.041 -0.267) 0.468 10.894 ( 0.811 -0.577 0.732) 1.236 10.894 ( 0.811 0.577 0.732) 1.236 10.930 ( 0.862 -0.569 -1.366) 1.712 10.930 ( 0.862 0.569 -1.366) 1.712 13.316 ( -0.310 -0.156 -0.257) 0.432 13.316 ( -0.310 0.156 -0.257) 0.432 13.380 ( -0.163 -0.182 0.122) 0.273 13.380 ( -0.163 0.182 0.122) 0.273 14.305 ( 0.641 -0.412 0.531) 0.929 14.305 ( 0.641 0.412 0.531) 0.929 14.352 ( -0.452 -0.194 -0.852) 0.984 14.352 ( -0.452 0.194 -0.852) 0.984 14.541 ( -0.977 -1.791 -0.773) 2.182 14.541 ( -0.977 1.791 -0.773) 2.182 14.665 ( 1.784 -1.567 1.581) 2.853 14.665 ( 1.784 1.567 1.581) 2.853 14.751 ( -3.025 -0.803 -4.564) 5.534 14.751 ( -3.025 0.803 -4.564) 5.534 14.937 ( 0.402 -3.149 0.878) 3.294 14.937 ( 0.402 3.149 0.878) 3.294 15.006 ( 0.719 -3.153 -0.174) 3.238 15.006 ( 0.719 3.153 -0.174) 3.238 15.076 ( 2.564 -1.930 1.735) 3.649 15.076 ( 2.564 1.930 1.735) 3.649 15.142 ( 0.087 -0.354 -0.298) 0.471 15.142 ( 0.087 0.354 -0.298) 0.471 15.209 ( 2.335 -2.154 -0.579) 3.229 15.209 ( 2.335 2.154 -0.579) 3.229 17.996 ( 0.511 -0.200 0.328) 0.640 17.996 ( 0.511 0.200 0.328) 0.640 18.048 ( -0.710 -0.420 -0.186) 0.846 18.048 ( -0.710 0.420 -0.186) 0.846 19.085 ( -2.217 -0.430 -1.496) 2.709 19.085 ( -2.217 0.430 -1.496) 2.709 19.222 ( -0.375 -0.722 1.295) 1.529 19.222 ( -0.375 0.722 1.295) 1.529 21.453 ( -0.396 -3.015 0.960) 3.188 21.453 ( -0.396 3.015 0.960) 3.188 21.919 ( 2.572 -1.071 0.020) 2.786 21.919 ( 2.572 1.071 0.020) 2.786 22.176 ( -1.294 -1.010 0.868) 1.857 22.176 ( -1.294 1.010 0.868) 1.857 22.253 ( 2.564 -1.764 -1.256) 3.356 22.253 ( 2.564 1.764 -1.256) 3.356 23.964 ( 1.025 -0.107 1.078) 1.491 23.964 ( 1.025 0.107 1.078) 1.491 24.002 ( -1.036 -0.058 -1.033) 1.464 24.002 ( -1.036 0.058 -1.033) 1.464 27.568 ( -3.187 -4.903 -3.613) 6.874 27.568 ( -3.187 4.903 -3.613) 6.874 27.745 ( 1.389 -5.840 1.158) 6.113 27.745 ( 1.389 5.840 1.158) 6.113 28.040 ( 2.125 -6.038 3.526) 7.308 28.040 ( 2.125 6.038 3.526) 7.308 28.401 ( 7.559 -10.000 -4.113) 13.193 28.401 ( 7.559 10.000 -4.113) 13.193 31.518 ( 0.820 -1.624 -0.364) 1.856 31.518 ( 0.820 1.624 -0.364) 1.856 31.546 ( 0.202 -1.187 -1.308) 1.778 31.546 ( 0.202 1.187 -1.308) 1.778 31.704 ( 1.344 -2.602 -0.665) 3.003 31.704 ( 1.344 2.602 -0.665) 3.003 31.957 ( 3.129 -2.965 2.263) 4.869 31.957 ( 3.129 2.965 2.263) 4.869 33.337 ( 0.477 -0.819 -1.065) 1.425 33.337 ( 0.477 0.819 -1.065) 1.425 33.445 ( -1.840 -1.104 0.799) 2.290 33.445 ( -1.840 1.104 0.799) 2.290 36.437 ( 0.273 -1.978 -0.265) 2.014 36.437 ( 0.273 1.978 -0.265) 2.014 36.500 ( 2.206 -2.789 0.566) 3.601 36.500 ( 2.206 2.789 0.566) 3.601 36.624 ( -0.645 -2.383 0.373) 2.497 36.624 ( -0.645 2.383 0.373) 2.497 36.784 ( 5.745 -2.438 -1.112) 6.339 36.784 ( 5.745 2.438 -1.112) 6.339 37.329 ( -5.809 -2.848 -5.361) 8.402 37.329 ( -5.809 2.848 -5.361) 8.402 37.730 ( -8.952 -13.259 7.632) 17.725 37.730 ( -8.952 13.259 7.632) 17.725 ======================= Grid point 96 (54/54) ======================= q-point: (-0.14 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -10.431 -15.551 -2.475) 18.888 0.967 ( -10.431 15.551 -2.475) 18.888 1.242 ( -10.772 -4.913 2.207) 12.043 1.242 ( -10.772 4.913 2.207) 12.043 1.323 ( -5.797 -5.096 -4.019) 8.702 1.323 ( -5.797 5.096 -4.019) 8.702 1.581 ( -4.471 -3.395 2.010) 5.963 1.581 ( -4.471 3.395 2.010) 5.963 1.772 ( -8.116 -4.861 -3.060) 9.942 1.772 ( -8.116 4.861 -3.060) 9.942 1.860 ( -6.541 -1.717 -5.813) 8.918 1.860 ( -6.541 1.717 -5.813) 8.918 2.003 ( -5.320 -0.885 0.438) 5.411 2.003 ( -5.320 0.885 0.438) 5.411 2.059 ( 2.870 -4.337 5.094) 7.280 2.059 ( 2.870 4.337 5.094) 7.280 2.193 ( 0.605 -5.099 -3.226) 6.064 2.193 ( 0.605 5.099 -3.226) 6.064 2.355 ( -2.784 -5.442 -2.557) 6.627 2.355 ( -2.784 5.442 -2.557) 6.627 2.379 ( -2.293 -4.377 3.230) 5.903 2.379 ( -2.293 4.377 3.230) 5.903 2.533 ( -3.819 -2.767 -0.169) 4.719 2.533 ( -3.819 2.767 -0.169) 4.719 2.670 ( -0.503 -0.645 2.722) 2.842 2.670 ( -0.503 0.645 2.722) 2.842 2.867 ( -1.183 -7.168 6.908) 10.025 2.867 ( -1.183 7.168 6.908) 10.025 2.927 ( 0.976 -4.224 -1.478) 4.580 2.927 ( 0.976 4.224 -1.478) 4.580 3.060 ( 2.325 -1.944 0.856) 3.149 3.060 ( 2.325 1.944 0.856) 3.149 3.193 ( 0.295 -3.752 1.334) 3.993 3.193 ( 0.295 3.752 1.334) 3.993 3.290 ( 2.361 -1.729 7.260) 7.828 3.290 ( 2.361 1.729 7.260) 7.828 3.430 ( 1.925 -3.642 -3.636) 5.495 3.430 ( 1.925 3.642 -3.636) 5.495 3.599 ( 3.744 -1.545 -3.445) 5.317 3.599 ( 3.744 1.545 -3.445) 5.317 3.678 ( -1.201 -4.278 -3.611) 5.725 3.678 ( -1.201 4.278 -3.611) 5.725 3.754 ( 1.159 -5.150 -1.689) 5.542 3.754 ( 1.159 5.150 -1.689) 5.542 3.811 ( 5.715 -1.097 1.617) 6.040 3.811 ( 5.715 1.097 1.617) 6.040 3.877 ( 2.290 -3.155 -1.158) 4.067 3.877 ( 2.290 3.155 -1.158) 4.067 4.006 ( 4.064 -3.548 -0.196) 5.398 4.006 ( 4.064 3.548 -0.196) 5.398 4.117 ( -0.224 -6.929 -1.508) 7.095 4.117 ( -0.224 6.929 -1.508) 7.095 4.326 ( 1.314 -1.939 -5.343) 5.834 4.326 ( 1.314 1.939 -5.343) 5.834 4.488 ( -1.888 -1.563 -0.474) 2.497 4.488 ( -1.888 1.563 -0.474) 2.497 4.542 ( -2.400 -5.088 3.931) 6.863 4.542 ( -2.400 5.088 3.931) 6.863 4.703 ( 0.994 -1.452 2.289) 2.887 4.703 ( 0.994 1.452 2.289) 2.887 4.782 ( -2.147 -0.732 -0.120) 2.272 4.782 ( -2.147 0.732 -0.120) 2.272 5.075 ( -0.218 -4.753 -1.104) 4.885 5.075 ( -0.218 4.753 -1.104) 4.885 5.294 ( 1.082 -1.691 1.862) 2.738 5.294 ( 1.082 1.691 1.862) 2.738 5.661 ( -0.972 -2.727 -0.650) 2.967 5.661 ( -0.972 2.727 -0.650) 2.967 5.799 ( 0.519 -2.866 -1.254) 3.171 5.799 ( 0.519 2.866 -1.254) 3.171 6.025 ( -2.032 -2.804 0.127) 3.465 6.025 ( -2.032 2.804 0.127) 3.465 8.153 ( -0.962 -0.770 -0.050) 1.233 8.153 ( -0.962 0.770 -0.050) 1.233 8.250 ( 0.517 -0.191 -0.081) 0.557 8.250 ( 0.517 0.191 -0.081) 0.557 8.543 ( 0.561 -0.560 -0.204) 0.818 8.543 ( 0.561 0.560 -0.204) 0.818 8.586 ( 1.527 -2.112 1.598) 3.057 8.586 ( 1.527 2.112 1.598) 3.057 8.639 ( -0.214 -2.170 -0.015) 2.181 8.639 ( -0.214 2.170 -0.015) 2.181 8.660 ( 1.534 -2.766 1.018) 3.323 8.660 ( 1.534 2.766 1.018) 3.323 8.980 ( -0.216 -0.319 -0.217) 0.442 8.980 ( -0.216 0.319 -0.217) 0.442 9.033 ( 0.515 -1.454 0.055) 1.543 9.033 ( 0.515 1.454 0.055) 1.543 9.320 ( 0.693 -2.655 0.327) 2.763 9.320 ( 0.693 2.655 0.327) 2.763 9.376 ( 0.979 -2.835 0.197) 3.005 9.376 ( 0.979 2.835 0.197) 3.005 10.270 ( -1.876 -1.113 0.048) 2.182 10.270 ( -1.876 1.113 0.048) 2.182 10.327 ( -1.548 -0.843 -0.799) 1.936 10.327 ( -1.548 0.843 -0.799) 1.936 10.521 ( -0.017 -0.734 0.964) 1.212 10.521 ( -0.017 0.734 0.964) 1.212 10.580 ( -0.774 -0.489 -0.979) 1.340 10.580 ( -0.774 0.489 -0.979) 1.340 10.911 ( 0.095 -0.180 0.672) 0.702 10.911 ( 0.095 0.180 0.672) 0.702 10.933 ( 0.949 -0.595 -1.669) 2.010 10.933 ( 0.949 0.595 -1.669) 2.010 13.302 ( -0.535 -0.330 -0.734) 0.966 13.302 ( -0.535 0.330 -0.734) 0.966 13.381 ( 0.058 -0.098 0.422) 0.437 13.381 ( 0.058 0.098 0.422) 0.437 14.310 ( -0.318 -0.701 -0.597) 0.974 14.310 ( -0.318 0.701 -0.597) 0.974 14.351 ( 0.758 -0.526 0.443) 1.024 14.351 ( 0.758 0.526 0.443) 1.024 14.520 ( -0.266 -1.674 -0.096) 1.698 14.520 ( -0.266 1.674 -0.096) 1.698 14.649 ( -2.549 -1.013 -3.502) 4.448 14.649 ( -2.549 1.013 -3.502) 4.448 14.751 ( 3.456 -2.109 3.126) 5.115 14.751 ( 3.456 2.109 3.126) 5.115 14.937 ( -0.648 -3.399 -0.478) 3.493 14.937 ( -0.648 3.399 -0.478) 3.493 15.010 ( 0.018 -4.397 0.063) 4.397 15.010 ( 0.018 4.397 0.063) 4.397 15.122 ( 0.437 -1.433 1.291) 1.978 15.122 ( 0.437 1.433 1.291) 1.978 15.150 ( 1.111 -0.681 -0.189) 1.317 15.150 ( 1.111 0.681 -0.189) 1.317 15.256 ( 2.964 -4.287 -1.795) 5.512 15.256 ( 2.964 4.287 -1.795) 5.512 18.010 ( 0.321 -0.030 0.553) 0.640 18.010 ( 0.321 0.030 0.553) 0.640 18.028 ( -0.672 -0.451 -0.592) 1.003 18.028 ( -0.672 0.451 -0.592) 1.003 19.031 ( -1.778 -0.432 -1.430) 2.322 19.031 ( -1.778 0.432 -1.430) 2.322 19.217 ( -1.050 -0.415 0.928) 1.461 19.217 ( -1.050 0.415 0.928) 1.461 21.474 ( 0.771 -3.347 2.622) 4.321 21.474 ( 0.771 3.347 2.622) 4.321 21.977 ( 3.148 -1.136 0.026) 3.347 21.977 ( 3.148 1.136 0.026) 3.347 22.146 ( -2.196 -1.211 0.013) 2.508 22.146 ( -2.196 1.211 0.013) 2.508 22.295 ( 2.619 -0.972 -1.454) 3.149 22.295 ( 2.619 0.972 -1.454) 3.149 23.965 ( -1.025 -0.033 -1.246) 1.614 23.965 ( -1.025 0.033 -1.246) 1.614 24.000 ( 1.006 -0.026 1.272) 1.622 24.000 ( 1.006 0.026 1.272) 1.622 27.539 ( 1.586 -3.578 2.382) 4.581 27.539 ( 1.586 3.578 2.382) 4.581 27.775 ( 0.862 -6.177 0.001) 6.237 27.775 ( 0.862 6.177 0.001) 6.237 28.094 ( -0.356 -7.243 3.340) 7.983 28.094 ( -0.356 7.243 3.340) 7.983 28.500 ( 7.893 -10.934 -8.454) 15.916 28.500 ( 7.893 10.934 -8.454) 15.916 31.525 ( 0.049 -0.703 -0.382) 0.802 31.525 ( 0.049 0.703 -0.382) 0.802 31.560 ( 2.442 -0.855 -0.110) 2.590 31.560 ( 2.442 0.855 -0.110) 2.590 31.705 ( -0.611 -2.714 -1.534) 3.177 31.705 ( -0.611 2.714 -1.534) 3.177 32.057 ( 4.736 -2.633 1.622) 5.656 32.057 ( 4.736 2.633 1.622) 5.656 33.337 ( 0.465 -0.861 -0.974) 1.381 33.337 ( 0.465 0.861 -0.974) 1.381 33.415 ( -1.889 -1.309 1.042) 2.523 33.415 ( -1.889 1.309 1.042) 2.523 36.438 ( -0.321 -2.381 0.560) 2.467 36.438 ( -0.321 2.381 0.560) 2.467 36.526 ( -0.009 -2.064 0.163) 2.070 36.526 ( -0.009 2.064 0.163) 2.070 36.643 ( 2.255 -1.262 1.287) 2.887 36.643 ( 2.255 1.262 1.287) 2.887 36.938 ( 9.755 -3.489 -1.621) 10.486 36.938 ( 9.755 3.489 -1.621) 10.486 37.153 ( -3.719 -2.818 -7.007) 8.419 37.153 ( -3.719 2.818 -7.007) 8.419 37.550 ( -17.668 -18.060 8.221) 26.569 37.550 ( -17.668 18.060 8.221) 26.569 =================== 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 3/25200 10.0 30.058 22.614 36.515 0.000 1.915 0.000 3/25200 20.0 7.366 4.897 7.007 0.000 0.406 0.000 3/25200 30.0 3.485 2.261 3.092 0.000 0.192 0.000 3/25200 40.0 2.189 1.406 1.886 0.000 0.121 0.000 3/25200 50.0 1.589 1.015 1.350 0.000 0.091 0.000 3/25200 60.0 1.251 0.798 1.055 0.000 0.076 0.000 3/25200 70.0 1.036 0.660 0.871 0.000 0.066 0.000 3/25200 80.0 0.887 0.565 0.744 0.000 0.060 0.000 3/25200 90.0 0.777 0.495 0.651 0.000 0.055 0.000 3/25200 100.0 0.693 0.442 0.580 0.000 0.051 0.000 3/25200 110.0 0.626 0.400 0.525 0.000 0.047 0.000 3/25200 120.0 0.572 0.366 0.480 0.000 0.045 0.000 3/25200 130.0 0.527 0.338 0.442 0.000 0.043 0.000 3/25200 140.0 0.490 0.315 0.411 0.000 0.041 0.000 3/25200 150.0 0.458 0.295 0.385 0.000 0.039 0.000 3/25200 160.0 0.431 0.278 0.362 0.000 0.038 0.000 3/25200 170.0 0.407 0.264 0.343 0.000 0.037 0.000 3/25200 180.0 0.386 0.251 0.325 0.000 0.035 0.000 3/25200 190.0 0.368 0.240 0.310 0.000 0.034 0.000 3/25200 200.0 0.352 0.231 0.297 0.000 0.033 0.000 3/25200 210.0 0.338 0.222 0.286 0.000 0.032 0.000 3/25200 220.0 0.325 0.214 0.275 0.000 0.031 0.000 3/25200 230.0 0.314 0.208 0.266 0.000 0.030 0.000 3/25200 240.0 0.304 0.202 0.258 0.000 0.029 0.000 3/25200 250.0 0.295 0.196 0.250 0.000 0.028 0.000 3/25200 260.0 0.287 0.191 0.243 0.000 0.028 0.000 3/25200 270.0 0.280 0.187 0.237 0.000 0.027 0.000 3/25200 280.0 0.273 0.183 0.232 0.000 0.026 0.000 3/25200 290.0 0.268 0.180 0.227 0.000 0.025 0.000 3/25200 300.0 0.262 0.176 0.222 0.000 0.024 0.000 3/25200 310.0 0.257 0.173 0.218 0.000 0.024 0.000 3/25200 320.0 0.253 0.171 0.214 0.000 0.023 0.000 3/25200 330.0 0.249 0.168 0.210 0.000 0.022 0.000 3/25200 340.0 0.245 0.166 0.207 0.000 0.022 0.000 3/25200 350.0 0.242 0.164 0.204 0.000 0.021 0.000 3/25200 360.0 0.238 0.162 0.201 0.000 0.020 0.000 3/25200 370.0 0.235 0.160 0.198 0.000 0.020 0.000 3/25200 380.0 0.233 0.158 0.196 0.000 0.019 0.000 3/25200 390.0 0.230 0.156 0.193 0.000 0.019 0.000 3/25200 400.0 0.227 0.155 0.191 0.000 0.018 0.000 3/25200 410.0 0.225 0.153 0.188 0.000 0.018 0.000 3/25200 420.0 0.223 0.152 0.186 0.000 0.017 0.000 3/25200 430.0 0.220 0.150 0.184 0.000 0.017 0.000 3/25200 440.0 0.218 0.149 0.182 0.000 0.016 0.000 3/25200 450.0 0.216 0.147 0.180 0.000 0.016 0.000 3/25200 460.0 0.214 0.146 0.178 0.000 0.016 0.000 3/25200 470.0 0.212 0.145 0.176 0.000 0.015 0.000 3/25200 480.0 0.210 0.143 0.174 0.000 0.015 0.000 3/25200 490.0 0.208 0.142 0.173 0.000 0.015 0.000 3/25200 500.0 0.206 0.141 0.171 0.000 0.014 0.000 3/25200 510.0 0.204 0.140 0.169 0.000 0.014 0.000 3/25200 520.0 0.203 0.138 0.167 0.000 0.014 0.000 3/25200 530.0 0.201 0.137 0.166 0.000 0.013 0.000 3/25200 540.0 0.199 0.136 0.164 0.000 0.013 0.000 3/25200 550.0 0.197 0.135 0.162 0.000 0.013 0.000 3/25200 560.0 0.196 0.134 0.161 0.000 0.013 0.000 3/25200 570.0 0.194 0.133 0.159 0.000 0.012 0.000 3/25200 580.0 0.192 0.131 0.158 0.000 0.012 0.000 3/25200 590.0 0.191 0.130 0.156 0.000 0.012 0.000 3/25200 600.0 0.189 0.129 0.155 0.000 0.012 0.000 3/25200 610.0 0.187 0.128 0.153 0.000 0.011 0.000 3/25200 620.0 0.186 0.127 0.152 0.000 0.011 0.000 3/25200 630.0 0.184 0.126 0.150 0.000 0.011 0.000 3/25200 640.0 0.183 0.125 0.149 0.000 0.011 0.000 3/25200 650.0 0.181 0.124 0.148 0.000 0.011 0.000 3/25200 660.0 0.180 0.123 0.146 0.000 0.010 0.000 3/25200 670.0 0.178 0.122 0.145 0.000 0.010 0.000 3/25200 680.0 0.177 0.121 0.144 0.000 0.010 0.000 3/25200 690.0 0.175 0.120 0.142 0.000 0.010 0.000 3/25200 700.0 0.174 0.119 0.141 0.000 0.010 0.000 3/25200 710.0 0.172 0.118 0.140 0.000 0.010 0.000 3/25200 720.0 0.171 0.117 0.138 0.000 0.010 0.000 3/25200 730.0 0.169 0.116 0.137 0.000 0.009 0.000 3/25200 740.0 0.168 0.115 0.136 0.000 0.009 0.000 3/25200 750.0 0.167 0.114 0.135 0.000 0.009 0.000 3/25200 760.0 0.165 0.113 0.134 0.000 0.009 0.000 3/25200 770.0 0.164 0.112 0.132 0.000 0.009 0.000 3/25200 780.0 0.163 0.111 0.131 0.000 0.009 0.000 3/25200 790.0 0.161 0.110 0.130 0.000 0.009 0.000 3/25200 800.0 0.160 0.109 0.129 0.000 0.008 0.000 3/25200 810.0 0.159 0.108 0.128 0.000 0.008 0.000 3/25200 820.0 0.157 0.108 0.127 0.000 0.008 0.000 3/25200 830.0 0.156 0.107 0.126 0.000 0.008 0.000 3/25200 840.0 0.155 0.106 0.125 0.000 0.008 0.000 3/25200 850.0 0.154 0.105 0.124 0.000 0.008 0.000 3/25200 860.0 0.152 0.104 0.123 0.000 0.008 0.000 3/25200 870.0 0.151 0.103 0.121 0.000 0.008 0.000 3/25200 880.0 0.150 0.102 0.120 0.000 0.008 0.000 3/25200 890.0 0.149 0.102 0.119 0.000 0.008 0.000 3/25200 900.0 0.148 0.101 0.118 0.000 0.007 0.000 3/25200 910.0 0.146 0.100 0.118 0.000 0.007 0.000 3/25200 920.0 0.145 0.099 0.117 0.000 0.007 0.000 3/25200 930.0 0.144 0.099 0.116 0.000 0.007 0.000 3/25200 940.0 0.143 0.098 0.115 0.000 0.007 0.000 3/25200 950.0 0.142 0.097 0.114 0.000 0.007 0.000 3/25200 960.0 0.141 0.096 0.113 0.000 0.007 0.000 3/25200 970.0 0.140 0.096 0.112 0.000 0.007 0.000 3/25200 980.0 0.139 0.095 0.111 0.000 0.007 0.000 3/25200 990.0 0.138 0.094 0.110 0.000 0.007 0.000 3/25200 1000.0 0.137 0.093 0.109 0.000 0.007 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m745.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:15:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|