----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:24:04]------------------------- 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 6.414551629999999 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): *1 Ca 0.00000000000000 0.03194441493636 0.25000000000000 40.078 2 Ca 0.00000000000000 0.96805558506364 0.75000000000000 40.078 *3 B 0.18925704443739 0.72142923694096 0.07038061716617 10.811 4 B 0.81074295556261 0.27857076305904 0.92961938283384 10.811 5 B 0.81074295556261 0.72142923694096 0.42961938283383 10.811 6 B 0.18925704443739 0.27857076305904 0.57038061716616 10.811 *7 H 0.63921043638066 0.32741481136315 0.42499105856505 1.008 *8 H 0.62545301242298 0.07894103878868 0.39822098456780 1.008 9 H 0.37454698757702 0.07894103878868 0.10177901543220 1.008 10 H 0.37454698757702 0.92105896121133 0.60177901543220 1.008 11 H 0.36078956361934 0.67258518863685 0.57500894143495 1.008 *12 H 0.63187825631189 0.77080899870963 0.58322817474339 1.008 *13 H 0.65859269348675 0.83806988760877 0.18290585730570 1.008 14 H 0.36078956361934 0.32741481136315 0.07500894143495 1.008 15 H 0.62545301242298 0.92105896121133 0.89822098456780 1.008 *16 H 0.22358133159229 0.54268122456399 0.75184762223697 1.008 17 H 0.36812174368811 0.77080899870963 0.91677182525661 1.008 18 H 0.34140730651325 0.16193011239123 0.81709414269430 1.008 19 H 0.65859269348675 0.16193011239123 0.68290585730570 1.008 *20 H 0.91416061840513 0.65421994000225 0.98266600344033 1.008 21 H 0.36812174368811 0.22919100129037 0.41677182525661 1.008 22 H 0.77641866840771 0.54268122456399 0.74815237776303 1.008 23 H 0.34140730651325 0.83806988760877 0.31709414269430 1.008 24 H 0.77641866840771 0.45731877543601 0.24815237776303 1.008 25 H 0.08583938159487 0.34578005999775 0.01733399655967 1.008 26 H 0.63187825631189 0.22919100129037 0.08322817474339 1.008 27 H 0.91416061840513 0.34578005999775 0.48266600344033 1.008 28 H 0.22358133159229 0.45731877543601 0.25184762223697 1.008 29 H 0.63921043638066 0.67258518863685 0.92499105856505 1.008 30 H 0.08583938159487 0.65421994000225 0.51733399655967 1.008 *31 O 0.23657096270345 0.25714079643868 0.39896499829089 15.999 *32 O 0.00325924523230 0.22797493137557 0.96602788682563 15.999 *33 O 0.58123575851885 0.80115845256068 0.96024838281229 15.999 34 O 0.23657096270345 0.74285920356132 0.89896499829089 15.999 35 O 0.99674075476770 0.22797493137557 0.53397211317437 15.999 36 O 0.76342903729655 0.25714079643868 0.10103500170911 15.999 *37 O 0.23082750153566 0.50654025964229 0.13136901066501 15.999 38 O 0.00325924523230 0.77202506862443 0.46602788682563 15.999 *39 O 0.27719369720530 0.88410473567588 0.19471830175176 15.999 40 O 0.76917249846434 0.49345974035771 0.86863098933499 15.999 41 O 0.41876424148115 0.80115845256068 0.53975161718771 15.999 42 O 0.41876424148115 0.19884154743932 0.03975161718771 15.999 43 O 0.72280630279470 0.88410473567588 0.30528169824824 15.999 44 O 0.27719369720530 0.11589526432412 0.69471830175176 15.999 45 O 0.76917249846434 0.50654025964229 0.36863098933499 15.999 46 O 0.23082750153566 0.49345974035771 0.63136901066501 15.999 47 O 0.58123575851885 0.19884154743932 0.46024838281229 15.999 48 O 0.76342903729655 0.74285920356132 0.60103500170911 15.999 49 O 0.72280630279470 0.11589526432412 0.80528169824824 15.999 50 O 0.99674075476770 0.77202506862443 0.03397211317437 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 6.414551629999999 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): *1 Ca 0.00000000000000 0.03194441493636 0.25000000000000 40.078 > 1 2 Ca 0.00000000000000 0.96805558506364 0.75000000000000 40.078 > 2 *3 B 0.18925704443739 0.72142923694096 0.07038061716617 10.811 > 3 4 B 0.81074295556261 0.27857076305904 0.92961938283384 10.811 > 4 5 B 0.81074295556261 0.72142923694096 0.42961938283383 10.811 > 5 6 B 0.18925704443739 0.27857076305904 0.57038061716616 10.811 > 6 *7 H 0.63921043638066 0.32741481136315 0.42499105856505 1.008 > 7 *8 H 0.62545301242298 0.07894103878868 0.39822098456780 1.008 > 8 9 H 0.37454698757702 0.07894103878868 0.10177901543220 1.008 > 9 10 H 0.37454698757702 0.92105896121133 0.60177901543220 1.008 > 10 11 H 0.36078956361934 0.67258518863685 0.57500894143495 1.008 > 11 *12 H 0.63187825631189 0.77080899870963 0.58322817474339 1.008 > 12 *13 H 0.65859269348675 0.83806988760877 0.18290585730570 1.008 > 13 14 H 0.36078956361934 0.32741481136315 0.07500894143495 1.008 > 14 15 H 0.62545301242298 0.92105896121133 0.89822098456780 1.008 > 15 *16 H 0.22358133159229 0.54268122456399 0.75184762223697 1.008 > 16 17 H 0.36812174368811 0.77080899870963 0.91677182525661 1.008 > 17 18 H 0.34140730651325 0.16193011239123 0.81709414269430 1.008 > 18 19 H 0.65859269348675 0.16193011239123 0.68290585730570 1.008 > 19 *20 H 0.91416061840513 0.65421994000225 0.98266600344033 1.008 > 20 21 H 0.36812174368811 0.22919100129037 0.41677182525661 1.008 > 21 22 H 0.77641866840771 0.54268122456399 0.74815237776303 1.008 > 22 23 H 0.34140730651325 0.83806988760877 0.31709414269430 1.008 > 23 24 H 0.77641866840771 0.45731877543601 0.24815237776303 1.008 > 24 25 H 0.08583938159487 0.34578005999775 0.01733399655967 1.008 > 25 26 H 0.63187825631189 0.22919100129037 0.08322817474339 1.008 > 26 27 H 0.91416061840513 0.34578005999775 0.48266600344033 1.008 > 27 28 H 0.22358133159229 0.45731877543601 0.25184762223697 1.008 > 28 29 H 0.63921043638066 0.67258518863685 0.92499105856505 1.008 > 29 30 H 0.08583938159487 0.65421994000225 0.51733399655967 1.008 > 30 *31 O 0.23657096270345 0.25714079643868 0.39896499829089 15.999 > 31 *32 O 0.00325924523230 0.22797493137557 0.96602788682563 15.999 > 32 *33 O 0.58123575851885 0.80115845256068 0.96024838281229 15.999 > 33 34 O 0.23657096270345 0.74285920356132 0.89896499829089 15.999 > 34 35 O 0.99674075476770 0.22797493137557 0.53397211317437 15.999 > 35 36 O 0.76342903729655 0.25714079643868 0.10103500170911 15.999 > 36 *37 O 0.23082750153566 0.50654025964229 0.13136901066501 15.999 > 37 38 O 0.00325924523230 0.77202506862443 0.46602788682563 15.999 > 38 *39 O 0.27719369720530 0.88410473567588 0.19471830175176 15.999 > 39 40 O 0.76917249846434 0.49345974035771 0.86863098933499 15.999 > 40 41 O 0.41876424148115 0.80115845256068 0.53975161718771 15.999 > 41 42 O 0.41876424148115 0.19884154743932 0.03975161718771 15.999 > 42 43 O 0.72280630279470 0.88410473567588 0.30528169824824 15.999 > 43 44 O 0.27719369720530 0.11589526432412 0.69471830175176 15.999 > 44 45 O 0.76917249846434 0.50654025964229 0.36863098933499 15.999 > 45 46 O 0.23082750153566 0.49345974035771 0.63136901066501 15.999 > 46 47 O 0.58123575851885 0.19884154743932 0.46024838281229 15.999 > 47 48 O 0.76342903729655 0.74285920356132 0.60103500170911 15.999 > 48 49 O 0.72280630279470 0.11589526432412 0.80528169824824 15.999 > 49 50 O 0.99674075476770 0.77202506862443 0.03397211317437 15.999 > 50 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 12.829103259999998 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): *1 Ca 0.00000000000000 0.01597220746818 0.25000000000000 40.078 > 1 2 Ca 0.00000000000000 0.51597220746818 0.25000000000000 40.078 > 1 3 Ca 0.00000000000000 0.48402779253182 0.75000000000000 40.078 > 2 4 Ca 0.00000000000000 0.98402779253182 0.75000000000000 40.078 > 2 *5 B 0.18925704443739 0.36071461847048 0.07038061716617 10.811 > 3 6 B 0.18925704443739 0.86071461847048 0.07038061716617 10.811 > 3 7 B 0.81074295556261 0.13928538152952 0.92961938283384 10.811 > 4 8 B 0.81074295556261 0.63928538152952 0.92961938283384 10.811 > 4 9 B 0.81074295556261 0.36071461847048 0.42961938283383 10.811 > 5 10 B 0.81074295556261 0.86071461847048 0.42961938283383 10.811 > 5 11 B 0.18925704443739 0.13928538152952 0.57038061716616 10.811 > 6 12 B 0.18925704443739 0.63928538152952 0.57038061716616 10.811 > 6 *13 H 0.63921043638066 0.16370740568157 0.42499105856505 1.008 > 7 14 H 0.63921043638066 0.66370740568157 0.42499105856505 1.008 > 7 *15 H 0.62545301242298 0.03947051939434 0.39822098456780 1.008 > 8 16 H 0.62545301242298 0.53947051939434 0.39822098456780 1.008 > 8 17 H 0.37454698757702 0.03947051939434 0.10177901543220 1.008 > 9 18 H 0.37454698757702 0.53947051939434 0.10177901543220 1.008 > 9 19 H 0.37454698757702 0.46052948060566 0.60177901543220 1.008 > 10 20 H 0.37454698757702 0.96052948060566 0.60177901543220 1.008 > 10 21 H 0.36078956361934 0.33629259431843 0.57500894143495 1.008 > 11 22 H 0.36078956361934 0.83629259431843 0.57500894143495 1.008 > 11 *23 H 0.63187825631189 0.38540449935482 0.58322817474339 1.008 > 12 24 H 0.63187825631189 0.88540449935482 0.58322817474339 1.008 > 12 *25 H 0.65859269348675 0.41903494380439 0.18290585730570 1.008 > 13 26 H 0.65859269348675 0.91903494380439 0.18290585730570 1.008 > 13 27 H 0.36078956361934 0.16370740568157 0.07500894143495 1.008 > 14 28 H 0.36078956361934 0.66370740568157 0.07500894143495 1.008 > 14 29 H 0.62545301242298 0.46052948060566 0.89822098456780 1.008 > 15 30 H 0.62545301242298 0.96052948060566 0.89822098456780 1.008 > 15 *31 H 0.22358133159229 0.27134061228199 0.75184762223697 1.008 > 16 32 H 0.22358133159229 0.77134061228199 0.75184762223697 1.008 > 16 33 H 0.36812174368811 0.38540449935482 0.91677182525661 1.008 > 17 34 H 0.36812174368811 0.88540449935482 0.91677182525661 1.008 > 17 35 H 0.34140730651325 0.08096505619561 0.81709414269430 1.008 > 18 36 H 0.34140730651325 0.58096505619561 0.81709414269430 1.008 > 18 37 H 0.65859269348675 0.08096505619561 0.68290585730570 1.008 > 19 38 H 0.65859269348675 0.58096505619561 0.68290585730570 1.008 > 19 *39 H 0.91416061840513 0.32710997000113 0.98266600344033 1.008 > 20 40 H 0.91416061840513 0.82710997000113 0.98266600344033 1.008 > 20 41 H 0.36812174368811 0.11459550064518 0.41677182525661 1.008 > 21 42 H 0.36812174368811 0.61459550064518 0.41677182525661 1.008 > 21 43 H 0.77641866840771 0.27134061228199 0.74815237776303 1.008 > 22 44 H 0.77641866840771 0.77134061228199 0.74815237776303 1.008 > 22 45 H 0.34140730651325 0.41903494380439 0.31709414269430 1.008 > 23 46 H 0.34140730651325 0.91903494380439 0.31709414269430 1.008 > 23 47 H 0.77641866840771 0.22865938771801 0.24815237776303 1.008 > 24 48 H 0.77641866840771 0.72865938771801 0.24815237776303 1.008 > 24 49 H 0.08583938159487 0.17289002999887 0.01733399655967 1.008 > 25 50 H 0.08583938159487 0.67289002999887 0.01733399655967 1.008 > 25 51 H 0.63187825631189 0.11459550064518 0.08322817474339 1.008 > 26 52 H 0.63187825631189 0.61459550064518 0.08322817474339 1.008 > 26 53 H 0.91416061840513 0.17289002999887 0.48266600344033 1.008 > 27 54 H 0.91416061840513 0.67289002999887 0.48266600344033 1.008 > 27 55 H 0.22358133159229 0.22865938771801 0.25184762223697 1.008 > 28 56 H 0.22358133159229 0.72865938771801 0.25184762223697 1.008 > 28 57 H 0.63921043638066 0.33629259431843 0.92499105856505 1.008 > 29 58 H 0.63921043638066 0.83629259431843 0.92499105856505 1.008 > 29 59 H 0.08583938159487 0.32710997000113 0.51733399655967 1.008 > 30 60 H 0.08583938159487 0.82710997000113 0.51733399655967 1.008 > 30 *61 O 0.23657096270345 0.12857039821934 0.39896499829089 15.999 > 31 62 O 0.23657096270345 0.62857039821934 0.39896499829089 15.999 > 31 *63 O 0.00325924523230 0.11398746568779 0.96602788682563 15.999 > 32 64 O 0.00325924523230 0.61398746568779 0.96602788682563 15.999 > 32 *65 O 0.58123575851885 0.40057922628034 0.96024838281229 15.999 > 33 66 O 0.58123575851885 0.90057922628034 0.96024838281229 15.999 > 33 67 O 0.23657096270345 0.37142960178066 0.89896499829089 15.999 > 34 68 O 0.23657096270345 0.87142960178066 0.89896499829089 15.999 > 34 69 O 0.99674075476770 0.11398746568779 0.53397211317437 15.999 > 35 70 O 0.99674075476770 0.61398746568779 0.53397211317437 15.999 > 35 71 O 0.76342903729655 0.12857039821934 0.10103500170911 15.999 > 36 72 O 0.76342903729655 0.62857039821934 0.10103500170911 15.999 > 36 *73 O 0.23082750153566 0.25327012982114 0.13136901066501 15.999 > 37 74 O 0.23082750153566 0.75327012982114 0.13136901066501 15.999 > 37 75 O 0.00325924523230 0.38601253431221 0.46602788682563 15.999 > 38 76 O 0.00325924523230 0.88601253431221 0.46602788682563 15.999 > 38 *77 O 0.27719369720530 0.44205236783794 0.19471830175176 15.999 > 39 78 O 0.27719369720530 0.94205236783794 0.19471830175176 15.999 > 39 79 O 0.76917249846434 0.24672987017886 0.86863098933499 15.999 > 40 80 O 0.76917249846434 0.74672987017886 0.86863098933499 15.999 > 40 81 O 0.41876424148115 0.40057922628034 0.53975161718771 15.999 > 41 82 O 0.41876424148115 0.90057922628034 0.53975161718771 15.999 > 41 83 O 0.41876424148115 0.09942077371966 0.03975161718771 15.999 > 42 84 O 0.41876424148115 0.59942077371966 0.03975161718771 15.999 > 42 85 O 0.72280630279470 0.44205236783794 0.30528169824824 15.999 > 43 86 O 0.72280630279470 0.94205236783794 0.30528169824824 15.999 > 43 87 O 0.27719369720530 0.05794763216206 0.69471830175176 15.999 > 44 88 O 0.27719369720530 0.55794763216206 0.69471830175176 15.999 > 44 89 O 0.76917249846434 0.25327012982114 0.36863098933499 15.999 > 45 90 O 0.76917249846434 0.75327012982114 0.36863098933499 15.999 > 45 91 O 0.23082750153566 0.24672987017886 0.63136901066501 15.999 > 46 92 O 0.23082750153566 0.74672987017886 0.63136901066501 15.999 > 46 93 O 0.58123575851885 0.09942077371966 0.46024838281229 15.999 > 47 94 O 0.58123575851885 0.59942077371966 0.46024838281229 15.999 > 47 95 O 0.76342903729655 0.37142960178066 0.60103500170911 15.999 > 48 96 O 0.76342903729655 0.87142960178066 0.60103500170911 15.999 > 48 97 O 0.72280630279470 0.05794763216206 0.80528169824824 15.999 > 49 98 O 0.72280630279470 0.55794763216206 0.80528169824824 15.999 > 49 99 O 0.99674075476770 0.38601253431221 0.03397211317437 15.999 > 50 100 O 0.99674075476770 0.88601253431221 0.03397211317437 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5469556 0.0000000 0.0023637 0.0000000 2.5883635 0.0000000 0.0023634 0.0000000 2.5741275 -------------------------- Born effective charges -------------------------- 1 Ca 2.2002999 0.0000000 -0.0277439 -0.0000000 2.2939440 -0.0000000 -0.1009612 0.0000000 2.4001516 2 Ca 2.2002999 0.0000000 -0.0277439 -0.0000000 2.2939440 -0.0000000 -0.1009612 0.0000000 2.4001516 3 B 2.0267490 0.0258348 -0.0490900 -0.0531817 2.4004596 -0.0442188 0.0041850 -0.0107143 2.1417705 4 B 2.0267490 0.0258348 -0.0490900 -0.0531817 2.4004596 -0.0442188 0.0041850 -0.0107143 2.1417705 5 B 2.0267490 -0.0258348 -0.0490900 0.0531817 2.4004596 0.0442188 0.0041850 0.0107143 2.1417705 6 B 2.0267490 -0.0258348 -0.0490900 0.0531817 2.4004596 0.0442188 0.0041850 0.0107143 2.1417705 7 H 0.6840191 0.5421526 -0.1203486 0.4938038 0.9500256 -0.1859312 -0.0936635 -0.1773028 0.3537502 8 H 0.5457283 -0.4170805 -0.2035028 -0.3646829 0.9464253 0.3189616 -0.1559997 0.2933852 0.4883417 9 H 0.5457283 0.4170805 -0.2035028 0.3646829 0.9464253 -0.3189616 -0.1559997 -0.2933852 0.4883417 10 H 0.5457283 -0.4170805 -0.2035028 -0.3646829 0.9464253 0.3189616 -0.1559997 0.2933852 0.4883417 11 H 0.6840191 0.5421526 -0.1203486 0.4938038 0.9500256 -0.1859312 -0.0936635 -0.1773028 0.3537502 12 H 1.5124433 -0.2036075 0.1255290 -0.1819551 0.3513595 -0.0258987 0.1479584 -0.0427357 0.3293569 13 H 0.3826436 0.0175671 0.1735333 0.0321994 0.3073491 0.0790071 0.1788396 0.1350345 1.3027434 14 H 0.6840191 -0.5421526 -0.1203486 -0.4938038 0.9500256 0.1859312 -0.0936635 0.1773028 0.3537502 15 H 0.5457283 0.4170805 -0.2035028 0.3646829 0.9464253 -0.3189616 -0.1559997 -0.2933852 0.4883417 16 H 0.3284839 -0.1022357 -0.0868699 -0.1194709 0.7041732 0.4874348 -0.1035796 0.4853329 0.9596218 17 H 1.5124433 0.2036075 0.1255290 0.1819551 0.3513595 0.0258987 0.1479584 0.0427357 0.3293569 18 H 0.3826436 0.0175671 0.1735333 0.0321994 0.3073491 0.0790071 0.1788396 0.1350345 1.3027434 19 H 0.3826436 -0.0175671 0.1735333 -0.0321994 0.3073491 -0.0790071 0.1788396 -0.1350345 1.3027434 20 H 0.6913649 0.4385178 0.2996268 0.4554930 0.8285609 0.3270489 0.3069271 0.3258735 0.5400715 21 H 1.5124433 -0.2036075 0.1255290 -0.1819551 0.3513595 -0.0258987 0.1479584 -0.0427357 0.3293569 22 H 0.3284839 0.1022357 -0.0868699 0.1194709 0.7041732 -0.4874348 -0.1035796 -0.4853329 0.9596218 23 H 0.3826436 -0.0175671 0.1735333 -0.0321994 0.3073491 -0.0790071 0.1788396 -0.1350345 1.3027434 24 H 0.3284839 -0.1022357 -0.0868699 -0.1194709 0.7041732 0.4874348 -0.1035796 0.4853329 0.9596218 25 H 0.6913649 0.4385178 0.2996268 0.4554930 0.8285609 0.3270489 0.3069271 0.3258735 0.5400715 26 H 1.5124433 0.2036075 0.1255290 0.1819551 0.3513595 0.0258987 0.1479584 0.0427357 0.3293569 27 H 0.6913649 -0.4385178 0.2996268 -0.4554930 0.8285609 -0.3270489 0.3069271 -0.3258735 0.5400715 28 H 0.3284839 0.1022357 -0.0868699 0.1194709 0.7041732 -0.4874348 -0.1035796 -0.4853329 0.9596218 29 H 0.6840191 -0.5421526 -0.1203486 -0.4938038 0.9500256 0.1859312 -0.0936635 0.1773028 0.3537502 30 H 0.6913649 -0.4385178 0.2996268 -0.4554930 0.8285609 -0.3270489 0.3069271 -0.3258735 0.5400715 31 O -1.7152480 -0.0014565 0.2654324 -0.0150086 -1.2030516 0.0067540 0.2395049 0.1476861 -1.6528764 32 O -1.7379285 -0.0826549 -0.2000046 -0.0686999 -1.4380062 -0.1355309 -0.2103181 -0.1972322 -1.3386193 33 O -1.4569190 0.0017566 -0.0332617 -0.0209938 -1.3136603 0.0183344 -0.0265763 -0.0026898 -1.2181029 34 O -1.7152480 0.0014565 0.2654324 0.0150086 -1.2030516 -0.0067540 0.2395049 -0.1476861 -1.6528764 35 O -1.7379285 0.0826549 -0.2000046 0.0686999 -1.4380062 0.1355309 -0.2103181 0.1972322 -1.3386193 36 O -1.7152480 0.0014565 0.2654324 0.0150086 -1.2030516 -0.0067540 0.2395049 -0.1476861 -1.6528764 37 O -1.1218440 0.0544810 -0.0887141 0.0441613 -2.2050602 0.3045454 -0.0825859 0.2402815 -1.3272770 38 O -1.7379285 0.0826549 -0.2000046 0.0686999 -1.4380062 0.1355309 -0.2103181 0.1972322 -1.3386193 39 O -1.2396424 -0.2397145 -0.0684577 -0.2128317 -1.4755469 -0.2427164 -0.1542114 -0.2176358 -1.7788562 40 O -1.1218440 0.0544810 -0.0887141 0.0441613 -2.2050602 0.3045454 -0.0825859 0.2402815 -1.3272770 41 O -1.4569190 -0.0017566 -0.0332617 0.0209938 -1.3136603 -0.0183344 -0.0265763 0.0026898 -1.2181029 42 O -1.4569190 0.0017566 -0.0332617 -0.0209938 -1.3136603 0.0183344 -0.0265763 -0.0026898 -1.2181029 43 O -1.2396424 0.2397145 -0.0684577 0.2128317 -1.4755469 0.2427164 -0.1542114 0.2176358 -1.7788562 44 O -1.2396424 0.2397145 -0.0684577 0.2128317 -1.4755469 0.2427164 -0.1542114 0.2176358 -1.7788562 45 O -1.1218440 -0.0544810 -0.0887141 -0.0441613 -2.2050602 -0.3045454 -0.0825859 -0.2402815 -1.3272770 46 O -1.1218440 -0.0544810 -0.0887141 -0.0441613 -2.2050602 -0.3045454 -0.0825859 -0.2402815 -1.3272770 47 O -1.4569190 -0.0017566 -0.0332617 0.0209938 -1.3136603 -0.0183344 -0.0265763 0.0026898 -1.2181029 48 O -1.7152480 -0.0014565 0.2654324 -0.0150086 -1.2030516 0.0067540 0.2395049 0.1476861 -1.6528764 49 O -1.2396424 -0.2397145 -0.0684577 -0.2128317 -1.4755469 -0.2427164 -0.1542114 -0.2176358 -1.7788562 50 O -1.7379285 -0.0826549 -0.2000046 -0.0686999 -1.4380062 -0.1355309 -0.2103181 -0.1972322 -1.3386193 ---------------------------------------------------------------------------- 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: 300/300 Permutation basis: 22650/22650 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5776 Number of blocks in projector: 5776 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: 1252 Use submatrix version of eigh solver. (1) Block: 500 / 1252 (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: 1000 / 1252 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1252 / 1252 (1) 241 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1248 Use submatrix version of eigh solver. (1) Block: 500 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1248 / 1248 (1) 230 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1248 Use submatrix version of eigh solver. (1) Block: 500 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1248 / 1248 (1) 230 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 676 / 676 (1) 164 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 676 / 676 (1) 164 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 676 / 676 (1) 164 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5776, 5664), data: False |-- (676, 663), data: False |-- (676, 12), data: (676, 25) @ (25, 12) |-- (176, 164), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (676, 663), data: False |-- (676, 12), data: (676, 25) @ (25, 12) |-- (176, 164), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (676, 663), data: False |-- (676, 12), data: (676, 25) @ (25, 12) |-- (176, 164), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1248, 1224), data: False |-- (1248, 42), data: (1248, 66) @ (66, 42) |-- (248, 230), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (1248, 1224), data: False |-- (1248, 42), data: (1248, 66) @ (66, 42) |-- (248, 230), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (1252, 1227), data: False |-- (1252, 30), data: (1252, 55) @ (55, 30) |-- (252, 241), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), 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 ----- Solver_atoms: 1 -- 100 / 100 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1520 - Time: 2.593 Solver_block: 200 / 1520 - Time: 2.002 Solver_block: 300 / 1520 - Time: 2.240 Solver_block: 400 / 1520 - Time: 2.115 Solver_block: 500 / 1520 - Time: 2.427 Solver_block: 600 / 1520 - Time: 2.463 Solver_block: 700 / 1520 - Time: 2.255 Solver_block: 800 / 1520 - Time: 1.637 Solver_block: 900 / 1520 - Time: 1.659 Solver_block: 1000 / 1520 - Time: 1.841 Solver_block: 1100 / 1520 - Time: 1.483 Solver_block: 1200 / 1520 - Time: 1.563 Solver_block: 1300 / 1520 - Time: 1.750 Solver_block: 1400 / 1520 - Time: 1.676 Solver_block: 1500 / 1520 - Time: 2.223 Solver_block: 1520 / 1520 - Time: 0.598 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 31.751 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 300/300 Permutation basis: 22650/22650 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5776 Number of blocks in projector: 5776 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: 1252 Use submatrix version of eigh solver. (1) Block: 500 / 1252 (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: 1000 / 1252 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1252 / 1252 (1) 241 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1248 Use submatrix version of eigh solver. (1) Block: 500 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1248 / 1248 (1) 230 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1248 Use submatrix version of eigh solver. (1) Block: 500 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1248 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1248 / 1248 (1) 230 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 676 / 676 (1) 164 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 676 / 676 (1) 164 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 676 / 676 (1) 164 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5776, 5664), data: False |-- (676, 663), data: False |-- (676, 12), data: (676, 25) @ (25, 12) |-- (176, 164), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (676, 663), data: False |-- (676, 12), data: (676, 25) @ (25, 12) |-- (176, 164), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (676, 663), data: False |-- (676, 12), data: (676, 25) @ (25, 12) |-- (176, 164), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1248, 1224), data: False |-- (1248, 42), data: (1248, 66) @ (66, 42) |-- (248, 230), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (1248, 1224), data: False |-- (1248, 42), data: (1248, 66) @ (66, 42) |-- (248, 230), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (1252, 1227), data: False |-- (1252, 30), data: (1252, 55) @ (55, 30) |-- (252, 241), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), 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 Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:26:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:26:06]------------------------- 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 6.414551629999999 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): 1 Ca 0.00000000000000 0.03194441493636 0.25000000000000 40.078 2 Ca 0.00000000000000 0.96805558506364 0.75000000000000 40.078 3 B 0.18925704443739 0.72142923694096 0.07038061716617 10.811 4 B 0.81074295556261 0.27857076305904 0.92961938283384 10.811 5 B 0.81074295556261 0.72142923694096 0.42961938283383 10.811 6 B 0.18925704443739 0.27857076305904 0.57038061716616 10.811 7 H 0.63921043638066 0.32741481136315 0.42499105856505 1.008 8 H 0.62545301242298 0.07894103878868 0.39822098456780 1.008 9 H 0.37454698757702 0.07894103878868 0.10177901543220 1.008 10 H 0.37454698757702 0.92105896121133 0.60177901543220 1.008 11 H 0.36078956361934 0.67258518863685 0.57500894143495 1.008 12 H 0.63187825631189 0.77080899870963 0.58322817474339 1.008 13 H 0.65859269348675 0.83806988760877 0.18290585730570 1.008 14 H 0.36078956361934 0.32741481136315 0.07500894143495 1.008 15 H 0.62545301242298 0.92105896121133 0.89822098456780 1.008 16 H 0.22358133159229 0.54268122456399 0.75184762223697 1.008 17 H 0.36812174368811 0.77080899870963 0.91677182525661 1.008 18 H 0.34140730651325 0.16193011239123 0.81709414269430 1.008 19 H 0.65859269348675 0.16193011239123 0.68290585730570 1.008 20 H 0.91416061840513 0.65421994000225 0.98266600344033 1.008 21 H 0.36812174368811 0.22919100129037 0.41677182525661 1.008 22 H 0.77641866840771 0.54268122456399 0.74815237776303 1.008 23 H 0.34140730651325 0.83806988760877 0.31709414269430 1.008 24 H 0.77641866840771 0.45731877543601 0.24815237776303 1.008 25 H 0.08583938159487 0.34578005999775 0.01733399655967 1.008 26 H 0.63187825631189 0.22919100129037 0.08322817474339 1.008 27 H 0.91416061840513 0.34578005999775 0.48266600344033 1.008 28 H 0.22358133159229 0.45731877543601 0.25184762223697 1.008 29 H 0.63921043638066 0.67258518863685 0.92499105856505 1.008 30 H 0.08583938159487 0.65421994000225 0.51733399655967 1.008 31 O 0.23657096270345 0.25714079643868 0.39896499829089 15.999 32 O 0.00325924523230 0.22797493137557 0.96602788682563 15.999 33 O 0.58123575851885 0.80115845256068 0.96024838281229 15.999 34 O 0.23657096270345 0.74285920356132 0.89896499829089 15.999 35 O 0.99674075476770 0.22797493137557 0.53397211317437 15.999 36 O 0.76342903729655 0.25714079643868 0.10103500170911 15.999 37 O 0.23082750153566 0.50654025964229 0.13136901066501 15.999 38 O 0.00325924523230 0.77202506862443 0.46602788682563 15.999 39 O 0.27719369720530 0.88410473567588 0.19471830175176 15.999 40 O 0.76917249846434 0.49345974035771 0.86863098933499 15.999 41 O 0.41876424148115 0.80115845256068 0.53975161718771 15.999 42 O 0.41876424148115 0.19884154743932 0.03975161718771 15.999 43 O 0.72280630279470 0.88410473567588 0.30528169824824 15.999 44 O 0.27719369720530 0.11589526432412 0.69471830175176 15.999 45 O 0.76917249846434 0.50654025964229 0.36863098933499 15.999 46 O 0.23082750153566 0.49345974035771 0.63136901066501 15.999 47 O 0.58123575851885 0.19884154743932 0.46024838281229 15.999 48 O 0.76342903729655 0.74285920356132 0.60103500170911 15.999 49 O 0.72280630279470 0.11589526432412 0.80528169824824 15.999 50 O 0.99674075476770 0.77202506862443 0.03397211317437 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 12.829103259999998 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): 1 Ca 0.00000000000000 0.01597220746818 0.25000000000000 40.078 > 1 2 Ca 0.00000000000000 0.51597220746818 0.25000000000000 40.078 > 1 3 Ca 0.00000000000000 0.48402779253182 0.75000000000000 40.078 > 3 4 Ca 0.00000000000000 0.98402779253182 0.75000000000000 40.078 > 3 5 B 0.18925704443739 0.36071461847048 0.07038061716617 10.811 > 5 6 B 0.18925704443739 0.86071461847048 0.07038061716617 10.811 > 5 7 B 0.81074295556261 0.13928538152952 0.92961938283384 10.811 > 7 8 B 0.81074295556261 0.63928538152952 0.92961938283384 10.811 > 7 9 B 0.81074295556261 0.36071461847048 0.42961938283383 10.811 > 9 10 B 0.81074295556261 0.86071461847048 0.42961938283383 10.811 > 9 11 B 0.18925704443739 0.13928538152952 0.57038061716616 10.811 > 11 12 B 0.18925704443739 0.63928538152952 0.57038061716616 10.811 > 11 13 H 0.63921043638066 0.16370740568157 0.42499105856505 1.008 > 13 14 H 0.63921043638066 0.66370740568157 0.42499105856505 1.008 > 13 15 H 0.62545301242298 0.03947051939434 0.39822098456780 1.008 > 15 16 H 0.62545301242298 0.53947051939434 0.39822098456780 1.008 > 15 17 H 0.37454698757702 0.03947051939434 0.10177901543220 1.008 > 17 18 H 0.37454698757702 0.53947051939434 0.10177901543220 1.008 > 17 19 H 0.37454698757702 0.46052948060566 0.60177901543220 1.008 > 19 20 H 0.37454698757702 0.96052948060566 0.60177901543220 1.008 > 19 21 H 0.36078956361934 0.33629259431843 0.57500894143495 1.008 > 21 22 H 0.36078956361934 0.83629259431843 0.57500894143495 1.008 > 21 23 H 0.63187825631189 0.38540449935482 0.58322817474339 1.008 > 23 24 H 0.63187825631189 0.88540449935482 0.58322817474339 1.008 > 23 25 H 0.65859269348675 0.41903494380439 0.18290585730570 1.008 > 25 26 H 0.65859269348675 0.91903494380439 0.18290585730570 1.008 > 25 27 H 0.36078956361934 0.16370740568157 0.07500894143495 1.008 > 27 28 H 0.36078956361934 0.66370740568157 0.07500894143495 1.008 > 27 29 H 0.62545301242298 0.46052948060566 0.89822098456780 1.008 > 29 30 H 0.62545301242298 0.96052948060566 0.89822098456780 1.008 > 29 31 H 0.22358133159229 0.27134061228199 0.75184762223697 1.008 > 31 32 H 0.22358133159229 0.77134061228199 0.75184762223697 1.008 > 31 33 H 0.36812174368811 0.38540449935482 0.91677182525661 1.008 > 33 34 H 0.36812174368811 0.88540449935482 0.91677182525661 1.008 > 33 35 H 0.34140730651325 0.08096505619561 0.81709414269430 1.008 > 35 36 H 0.34140730651325 0.58096505619561 0.81709414269430 1.008 > 35 37 H 0.65859269348675 0.08096505619561 0.68290585730570 1.008 > 37 38 H 0.65859269348675 0.58096505619561 0.68290585730570 1.008 > 37 39 H 0.91416061840513 0.32710997000113 0.98266600344033 1.008 > 39 40 H 0.91416061840513 0.82710997000113 0.98266600344033 1.008 > 39 41 H 0.36812174368811 0.11459550064518 0.41677182525661 1.008 > 41 42 H 0.36812174368811 0.61459550064518 0.41677182525661 1.008 > 41 43 H 0.77641866840771 0.27134061228199 0.74815237776303 1.008 > 43 44 H 0.77641866840771 0.77134061228199 0.74815237776303 1.008 > 43 45 H 0.34140730651325 0.41903494380439 0.31709414269430 1.008 > 45 46 H 0.34140730651325 0.91903494380439 0.31709414269430 1.008 > 45 47 H 0.77641866840771 0.22865938771801 0.24815237776303 1.008 > 47 48 H 0.77641866840771 0.72865938771801 0.24815237776303 1.008 > 47 49 H 0.08583938159487 0.17289002999887 0.01733399655967 1.008 > 49 50 H 0.08583938159487 0.67289002999887 0.01733399655967 1.008 > 49 51 H 0.63187825631189 0.11459550064518 0.08322817474339 1.008 > 51 52 H 0.63187825631189 0.61459550064518 0.08322817474339 1.008 > 51 53 H 0.91416061840513 0.17289002999887 0.48266600344033 1.008 > 53 54 H 0.91416061840513 0.67289002999887 0.48266600344033 1.008 > 53 55 H 0.22358133159229 0.22865938771801 0.25184762223697 1.008 > 55 56 H 0.22358133159229 0.72865938771801 0.25184762223697 1.008 > 55 57 H 0.63921043638066 0.33629259431843 0.92499105856505 1.008 > 57 58 H 0.63921043638066 0.83629259431843 0.92499105856505 1.008 > 57 59 H 0.08583938159487 0.32710997000113 0.51733399655967 1.008 > 59 60 H 0.08583938159487 0.82710997000113 0.51733399655967 1.008 > 59 61 O 0.23657096270345 0.12857039821934 0.39896499829089 15.999 > 61 62 O 0.23657096270345 0.62857039821934 0.39896499829089 15.999 > 61 63 O 0.00325924523230 0.11398746568779 0.96602788682563 15.999 > 63 64 O 0.00325924523230 0.61398746568779 0.96602788682563 15.999 > 63 65 O 0.58123575851885 0.40057922628034 0.96024838281229 15.999 > 65 66 O 0.58123575851885 0.90057922628034 0.96024838281229 15.999 > 65 67 O 0.23657096270345 0.37142960178066 0.89896499829089 15.999 > 67 68 O 0.23657096270345 0.87142960178066 0.89896499829089 15.999 > 67 69 O 0.99674075476770 0.11398746568779 0.53397211317437 15.999 > 69 70 O 0.99674075476770 0.61398746568779 0.53397211317437 15.999 > 69 71 O 0.76342903729655 0.12857039821934 0.10103500170911 15.999 > 71 72 O 0.76342903729655 0.62857039821934 0.10103500170911 15.999 > 71 73 O 0.23082750153566 0.25327012982114 0.13136901066501 15.999 > 73 74 O 0.23082750153566 0.75327012982114 0.13136901066501 15.999 > 73 75 O 0.00325924523230 0.38601253431221 0.46602788682563 15.999 > 75 76 O 0.00325924523230 0.88601253431221 0.46602788682563 15.999 > 75 77 O 0.27719369720530 0.44205236783794 0.19471830175176 15.999 > 77 78 O 0.27719369720530 0.94205236783794 0.19471830175176 15.999 > 77 79 O 0.76917249846434 0.24672987017886 0.86863098933499 15.999 > 79 80 O 0.76917249846434 0.74672987017886 0.86863098933499 15.999 > 79 81 O 0.41876424148115 0.40057922628034 0.53975161718771 15.999 > 81 82 O 0.41876424148115 0.90057922628034 0.53975161718771 15.999 > 81 83 O 0.41876424148115 0.09942077371966 0.03975161718771 15.999 > 83 84 O 0.41876424148115 0.59942077371966 0.03975161718771 15.999 > 83 85 O 0.72280630279470 0.44205236783794 0.30528169824824 15.999 > 85 86 O 0.72280630279470 0.94205236783794 0.30528169824824 15.999 > 85 87 O 0.27719369720530 0.05794763216206 0.69471830175176 15.999 > 87 88 O 0.27719369720530 0.55794763216206 0.69471830175176 15.999 > 87 89 O 0.76917249846434 0.25327012982114 0.36863098933499 15.999 > 89 90 O 0.76917249846434 0.75327012982114 0.36863098933499 15.999 > 89 91 O 0.23082750153566 0.24672987017886 0.63136901066501 15.999 > 91 92 O 0.23082750153566 0.74672987017886 0.63136901066501 15.999 > 91 93 O 0.58123575851885 0.09942077371966 0.46024838281229 15.999 > 93 94 O 0.58123575851885 0.59942077371966 0.46024838281229 15.999 > 93 95 O 0.76342903729655 0.37142960178066 0.60103500170911 15.999 > 95 96 O 0.76342903729655 0.87142960178066 0.60103500170911 15.999 > 95 97 O 0.72280630279470 0.05794763216206 0.80528169824824 15.999 > 97 98 O 0.72280630279470 0.55794763216206 0.80528169824824 15.999 > 97 99 O 0.99674075476770 0.38601253431221 0.03397211317437 15.999 > 99 100 O 0.99674075476770 0.88601253431221 0.03397211317437 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5469556 0.0000000 0.0023637 0.0000000 2.5883635 0.0000000 0.0023634 0.0000000 2.5741275 -------------------------- Born effective charges -------------------------- 1 Ca 2.2002999 0.0000000 -0.0277439 -0.0000000 2.2939440 -0.0000000 -0.1009612 0.0000000 2.4001516 2 Ca 2.2002999 0.0000000 -0.0277439 -0.0000000 2.2939440 -0.0000000 -0.1009612 0.0000000 2.4001516 3 B 2.0267490 0.0258348 -0.0490900 -0.0531817 2.4004596 -0.0442188 0.0041850 -0.0107143 2.1417705 4 B 2.0267490 0.0258348 -0.0490900 -0.0531817 2.4004596 -0.0442188 0.0041850 -0.0107143 2.1417705 5 B 2.0267490 -0.0258348 -0.0490900 0.0531817 2.4004596 0.0442188 0.0041850 0.0107143 2.1417705 6 B 2.0267490 -0.0258348 -0.0490900 0.0531817 2.4004596 0.0442188 0.0041850 0.0107143 2.1417705 7 H 0.6840191 0.5421526 -0.1203486 0.4938038 0.9500256 -0.1859312 -0.0936635 -0.1773028 0.3537502 8 H 0.5457283 -0.4170805 -0.2035028 -0.3646829 0.9464253 0.3189616 -0.1559997 0.2933852 0.4883417 9 H 0.5457283 0.4170805 -0.2035028 0.3646829 0.9464253 -0.3189616 -0.1559997 -0.2933852 0.4883417 10 H 0.5457283 -0.4170805 -0.2035028 -0.3646829 0.9464253 0.3189616 -0.1559997 0.2933852 0.4883417 11 H 0.6840191 0.5421526 -0.1203486 0.4938038 0.9500256 -0.1859312 -0.0936635 -0.1773028 0.3537502 12 H 1.5124433 -0.2036075 0.1255290 -0.1819551 0.3513595 -0.0258987 0.1479584 -0.0427357 0.3293569 13 H 0.3826436 0.0175671 0.1735333 0.0321994 0.3073491 0.0790071 0.1788396 0.1350345 1.3027434 14 H 0.6840191 -0.5421526 -0.1203486 -0.4938038 0.9500256 0.1859312 -0.0936635 0.1773028 0.3537502 15 H 0.5457283 0.4170805 -0.2035028 0.3646829 0.9464253 -0.3189616 -0.1559997 -0.2933852 0.4883417 16 H 0.3284839 -0.1022357 -0.0868699 -0.1194709 0.7041732 0.4874348 -0.1035796 0.4853329 0.9596218 17 H 1.5124433 0.2036075 0.1255290 0.1819551 0.3513595 0.0258987 0.1479584 0.0427357 0.3293569 18 H 0.3826436 0.0175671 0.1735333 0.0321994 0.3073491 0.0790071 0.1788396 0.1350345 1.3027434 19 H 0.3826436 -0.0175671 0.1735333 -0.0321994 0.3073491 -0.0790071 0.1788396 -0.1350345 1.3027434 20 H 0.6913649 0.4385178 0.2996268 0.4554930 0.8285609 0.3270489 0.3069271 0.3258735 0.5400715 21 H 1.5124433 -0.2036075 0.1255290 -0.1819551 0.3513595 -0.0258987 0.1479584 -0.0427357 0.3293569 22 H 0.3284839 0.1022357 -0.0868699 0.1194709 0.7041732 -0.4874348 -0.1035796 -0.4853329 0.9596218 23 H 0.3826436 -0.0175671 0.1735333 -0.0321994 0.3073491 -0.0790071 0.1788396 -0.1350345 1.3027434 24 H 0.3284839 -0.1022357 -0.0868699 -0.1194709 0.7041732 0.4874348 -0.1035796 0.4853329 0.9596218 25 H 0.6913649 0.4385178 0.2996268 0.4554930 0.8285609 0.3270489 0.3069271 0.3258735 0.5400715 26 H 1.5124433 0.2036075 0.1255290 0.1819551 0.3513595 0.0258987 0.1479584 0.0427357 0.3293569 27 H 0.6913649 -0.4385178 0.2996268 -0.4554930 0.8285609 -0.3270489 0.3069271 -0.3258735 0.5400715 28 H 0.3284839 0.1022357 -0.0868699 0.1194709 0.7041732 -0.4874348 -0.1035796 -0.4853329 0.9596218 29 H 0.6840191 -0.5421526 -0.1203486 -0.4938038 0.9500256 0.1859312 -0.0936635 0.1773028 0.3537502 30 H 0.6913649 -0.4385178 0.2996268 -0.4554930 0.8285609 -0.3270489 0.3069271 -0.3258735 0.5400715 31 O -1.7152480 -0.0014565 0.2654324 -0.0150086 -1.2030516 0.0067540 0.2395049 0.1476861 -1.6528764 32 O -1.7379285 -0.0826549 -0.2000046 -0.0686999 -1.4380062 -0.1355309 -0.2103181 -0.1972322 -1.3386193 33 O -1.4569190 0.0017566 -0.0332617 -0.0209938 -1.3136603 0.0183344 -0.0265763 -0.0026898 -1.2181029 34 O -1.7152480 0.0014565 0.2654324 0.0150086 -1.2030516 -0.0067540 0.2395049 -0.1476861 -1.6528764 35 O -1.7379285 0.0826549 -0.2000046 0.0686999 -1.4380062 0.1355309 -0.2103181 0.1972322 -1.3386193 36 O -1.7152480 0.0014565 0.2654324 0.0150086 -1.2030516 -0.0067540 0.2395049 -0.1476861 -1.6528764 37 O -1.1218440 0.0544810 -0.0887141 0.0441613 -2.2050602 0.3045454 -0.0825859 0.2402815 -1.3272770 38 O -1.7379285 0.0826549 -0.2000046 0.0686999 -1.4380062 0.1355309 -0.2103181 0.1972322 -1.3386193 39 O -1.2396424 -0.2397145 -0.0684577 -0.2128317 -1.4755469 -0.2427164 -0.1542114 -0.2176358 -1.7788562 40 O -1.1218440 0.0544810 -0.0887141 0.0441613 -2.2050602 0.3045454 -0.0825859 0.2402815 -1.3272770 41 O -1.4569190 -0.0017566 -0.0332617 0.0209938 -1.3136603 -0.0183344 -0.0265763 0.0026898 -1.2181029 42 O -1.4569190 0.0017566 -0.0332617 -0.0209938 -1.3136603 0.0183344 -0.0265763 -0.0026898 -1.2181029 43 O -1.2396424 0.2397145 -0.0684577 0.2128317 -1.4755469 0.2427164 -0.1542114 0.2176358 -1.7788562 44 O -1.2396424 0.2397145 -0.0684577 0.2128317 -1.4755469 0.2427164 -0.1542114 0.2176358 -1.7788562 45 O -1.1218440 -0.0544810 -0.0887141 -0.0441613 -2.2050602 -0.3045454 -0.0825859 -0.2402815 -1.3272770 46 O -1.1218440 -0.0544810 -0.0887141 -0.0441613 -2.2050602 -0.3045454 -0.0825859 -0.2402815 -1.3272770 47 O -1.4569190 -0.0017566 -0.0332617 0.0209938 -1.3136603 -0.0183344 -0.0265763 0.0026898 -1.2181029 48 O -1.7152480 -0.0014565 0.2654324 -0.0150086 -1.2030516 0.0067540 0.2395049 0.1476861 -1.6528764 49 O -1.2396424 -0.2397145 -0.0684577 -0.2128317 -1.4755469 -0.2427164 -0.1542114 -0.2176358 -1.7788562 50 O -1.7379285 -0.0826549 -0.2000046 -0.0686999 -1.4380062 -0.1355309 -0.2103181 -0.1972322 -1.3386193 ---------------------------------------------------------------------------- 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 13, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 15, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 23, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 61, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 63, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 77, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:27:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:27:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 6.414551629999999 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): 1 Ca 0.00000000000000 0.03194441493636 0.25000000000000 40.078 2 Ca 0.00000000000000 0.96805558506364 0.75000000000000 40.078 3 B 0.18925704443739 0.72142923694096 0.07038061716617 10.811 4 B 0.81074295556261 0.27857076305904 0.92961938283384 10.811 5 B 0.81074295556261 0.72142923694096 0.42961938283383 10.811 6 B 0.18925704443739 0.27857076305904 0.57038061716616 10.811 7 H 0.63921043638066 0.32741481136315 0.42499105856505 1.008 8 H 0.62545301242298 0.07894103878868 0.39822098456780 1.008 9 H 0.37454698757702 0.07894103878868 0.10177901543220 1.008 10 H 0.37454698757702 0.92105896121133 0.60177901543220 1.008 11 H 0.36078956361934 0.67258518863685 0.57500894143495 1.008 12 H 0.63187825631189 0.77080899870963 0.58322817474339 1.008 13 H 0.65859269348675 0.83806988760877 0.18290585730570 1.008 14 H 0.36078956361934 0.32741481136315 0.07500894143495 1.008 15 H 0.62545301242298 0.92105896121133 0.89822098456780 1.008 16 H 0.22358133159229 0.54268122456399 0.75184762223697 1.008 17 H 0.36812174368811 0.77080899870963 0.91677182525661 1.008 18 H 0.34140730651325 0.16193011239123 0.81709414269430 1.008 19 H 0.65859269348675 0.16193011239123 0.68290585730570 1.008 20 H 0.91416061840513 0.65421994000225 0.98266600344033 1.008 21 H 0.36812174368811 0.22919100129037 0.41677182525661 1.008 22 H 0.77641866840771 0.54268122456399 0.74815237776303 1.008 23 H 0.34140730651325 0.83806988760877 0.31709414269430 1.008 24 H 0.77641866840771 0.45731877543601 0.24815237776303 1.008 25 H 0.08583938159487 0.34578005999775 0.01733399655967 1.008 26 H 0.63187825631189 0.22919100129037 0.08322817474339 1.008 27 H 0.91416061840513 0.34578005999775 0.48266600344033 1.008 28 H 0.22358133159229 0.45731877543601 0.25184762223697 1.008 29 H 0.63921043638066 0.67258518863685 0.92499105856505 1.008 30 H 0.08583938159487 0.65421994000225 0.51733399655967 1.008 31 O 0.23657096270345 0.25714079643868 0.39896499829089 15.999 32 O 0.00325924523230 0.22797493137557 0.96602788682563 15.999 33 O 0.58123575851885 0.80115845256068 0.96024838281229 15.999 34 O 0.23657096270345 0.74285920356132 0.89896499829089 15.999 35 O 0.99674075476770 0.22797493137557 0.53397211317437 15.999 36 O 0.76342903729655 0.25714079643868 0.10103500170911 15.999 37 O 0.23082750153566 0.50654025964229 0.13136901066501 15.999 38 O 0.00325924523230 0.77202506862443 0.46602788682563 15.999 39 O 0.27719369720530 0.88410473567588 0.19471830175176 15.999 40 O 0.76917249846434 0.49345974035771 0.86863098933499 15.999 41 O 0.41876424148115 0.80115845256068 0.53975161718771 15.999 42 O 0.41876424148115 0.19884154743932 0.03975161718771 15.999 43 O 0.72280630279470 0.88410473567588 0.30528169824824 15.999 44 O 0.27719369720530 0.11589526432412 0.69471830175176 15.999 45 O 0.76917249846434 0.50654025964229 0.36863098933499 15.999 46 O 0.23082750153566 0.49345974035771 0.63136901066501 15.999 47 O 0.58123575851885 0.19884154743932 0.46024838281229 15.999 48 O 0.76342903729655 0.74285920356132 0.60103500170911 15.999 49 O 0.72280630279470 0.11589526432412 0.80528169824824 15.999 50 O 0.99674075476770 0.77202506862443 0.03397211317437 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.784619321002137 0.000000000000000 0.000000000000000 b 0.000000000000000 12.829103259999998 0.000000000000000 c -1.904909102016120 0.000000000000000 7.544790655289612 Atomic positions (fractional): 1 Ca 0.00000000000000 0.01597220746818 0.25000000000000 40.078 > 1 2 Ca 0.00000000000000 0.51597220746818 0.25000000000000 40.078 > 1 3 Ca 0.00000000000000 0.48402779253182 0.75000000000000 40.078 > 3 4 Ca 0.00000000000000 0.98402779253182 0.75000000000000 40.078 > 3 5 B 0.18925704443739 0.36071461847048 0.07038061716617 10.811 > 5 6 B 0.18925704443739 0.86071461847048 0.07038061716617 10.811 > 5 7 B 0.81074295556261 0.13928538152952 0.92961938283384 10.811 > 7 8 B 0.81074295556261 0.63928538152952 0.92961938283384 10.811 > 7 9 B 0.81074295556261 0.36071461847048 0.42961938283383 10.811 > 9 10 B 0.81074295556261 0.86071461847048 0.42961938283383 10.811 > 9 11 B 0.18925704443739 0.13928538152952 0.57038061716616 10.811 > 11 12 B 0.18925704443739 0.63928538152952 0.57038061716616 10.811 > 11 13 H 0.63921043638066 0.16370740568157 0.42499105856505 1.008 > 13 14 H 0.63921043638066 0.66370740568157 0.42499105856505 1.008 > 13 15 H 0.62545301242298 0.03947051939434 0.39822098456780 1.008 > 15 16 H 0.62545301242298 0.53947051939434 0.39822098456780 1.008 > 15 17 H 0.37454698757702 0.03947051939434 0.10177901543220 1.008 > 17 18 H 0.37454698757702 0.53947051939434 0.10177901543220 1.008 > 17 19 H 0.37454698757702 0.46052948060566 0.60177901543220 1.008 > 19 20 H 0.37454698757702 0.96052948060566 0.60177901543220 1.008 > 19 21 H 0.36078956361934 0.33629259431843 0.57500894143495 1.008 > 21 22 H 0.36078956361934 0.83629259431843 0.57500894143495 1.008 > 21 23 H 0.63187825631189 0.38540449935482 0.58322817474339 1.008 > 23 24 H 0.63187825631189 0.88540449935482 0.58322817474339 1.008 > 23 25 H 0.65859269348675 0.41903494380439 0.18290585730570 1.008 > 25 26 H 0.65859269348675 0.91903494380439 0.18290585730570 1.008 > 25 27 H 0.36078956361934 0.16370740568157 0.07500894143495 1.008 > 27 28 H 0.36078956361934 0.66370740568157 0.07500894143495 1.008 > 27 29 H 0.62545301242298 0.46052948060566 0.89822098456780 1.008 > 29 30 H 0.62545301242298 0.96052948060566 0.89822098456780 1.008 > 29 31 H 0.22358133159229 0.27134061228199 0.75184762223697 1.008 > 31 32 H 0.22358133159229 0.77134061228199 0.75184762223697 1.008 > 31 33 H 0.36812174368811 0.38540449935482 0.91677182525661 1.008 > 33 34 H 0.36812174368811 0.88540449935482 0.91677182525661 1.008 > 33 35 H 0.34140730651325 0.08096505619561 0.81709414269430 1.008 > 35 36 H 0.34140730651325 0.58096505619561 0.81709414269430 1.008 > 35 37 H 0.65859269348675 0.08096505619561 0.68290585730570 1.008 > 37 38 H 0.65859269348675 0.58096505619561 0.68290585730570 1.008 > 37 39 H 0.91416061840513 0.32710997000113 0.98266600344033 1.008 > 39 40 H 0.91416061840513 0.82710997000113 0.98266600344033 1.008 > 39 41 H 0.36812174368811 0.11459550064518 0.41677182525661 1.008 > 41 42 H 0.36812174368811 0.61459550064518 0.41677182525661 1.008 > 41 43 H 0.77641866840771 0.27134061228199 0.74815237776303 1.008 > 43 44 H 0.77641866840771 0.77134061228199 0.74815237776303 1.008 > 43 45 H 0.34140730651325 0.41903494380439 0.31709414269430 1.008 > 45 46 H 0.34140730651325 0.91903494380439 0.31709414269430 1.008 > 45 47 H 0.77641866840771 0.22865938771801 0.24815237776303 1.008 > 47 48 H 0.77641866840771 0.72865938771801 0.24815237776303 1.008 > 47 49 H 0.08583938159487 0.17289002999887 0.01733399655967 1.008 > 49 50 H 0.08583938159487 0.67289002999887 0.01733399655967 1.008 > 49 51 H 0.63187825631189 0.11459550064518 0.08322817474339 1.008 > 51 52 H 0.63187825631189 0.61459550064518 0.08322817474339 1.008 > 51 53 H 0.91416061840513 0.17289002999887 0.48266600344033 1.008 > 53 54 H 0.91416061840513 0.67289002999887 0.48266600344033 1.008 > 53 55 H 0.22358133159229 0.22865938771801 0.25184762223697 1.008 > 55 56 H 0.22358133159229 0.72865938771801 0.25184762223697 1.008 > 55 57 H 0.63921043638066 0.33629259431843 0.92499105856505 1.008 > 57 58 H 0.63921043638066 0.83629259431843 0.92499105856505 1.008 > 57 59 H 0.08583938159487 0.32710997000113 0.51733399655967 1.008 > 59 60 H 0.08583938159487 0.82710997000113 0.51733399655967 1.008 > 59 61 O 0.23657096270345 0.12857039821934 0.39896499829089 15.999 > 61 62 O 0.23657096270345 0.62857039821934 0.39896499829089 15.999 > 61 63 O 0.00325924523230 0.11398746568779 0.96602788682563 15.999 > 63 64 O 0.00325924523230 0.61398746568779 0.96602788682563 15.999 > 63 65 O 0.58123575851885 0.40057922628034 0.96024838281229 15.999 > 65 66 O 0.58123575851885 0.90057922628034 0.96024838281229 15.999 > 65 67 O 0.23657096270345 0.37142960178066 0.89896499829089 15.999 > 67 68 O 0.23657096270345 0.87142960178066 0.89896499829089 15.999 > 67 69 O 0.99674075476770 0.11398746568779 0.53397211317437 15.999 > 69 70 O 0.99674075476770 0.61398746568779 0.53397211317437 15.999 > 69 71 O 0.76342903729655 0.12857039821934 0.10103500170911 15.999 > 71 72 O 0.76342903729655 0.62857039821934 0.10103500170911 15.999 > 71 73 O 0.23082750153566 0.25327012982114 0.13136901066501 15.999 > 73 74 O 0.23082750153566 0.75327012982114 0.13136901066501 15.999 > 73 75 O 0.00325924523230 0.38601253431221 0.46602788682563 15.999 > 75 76 O 0.00325924523230 0.88601253431221 0.46602788682563 15.999 > 75 77 O 0.27719369720530 0.44205236783794 0.19471830175176 15.999 > 77 78 O 0.27719369720530 0.94205236783794 0.19471830175176 15.999 > 77 79 O 0.76917249846434 0.24672987017886 0.86863098933499 15.999 > 79 80 O 0.76917249846434 0.74672987017886 0.86863098933499 15.999 > 79 81 O 0.41876424148115 0.40057922628034 0.53975161718771 15.999 > 81 82 O 0.41876424148115 0.90057922628034 0.53975161718771 15.999 > 81 83 O 0.41876424148115 0.09942077371966 0.03975161718771 15.999 > 83 84 O 0.41876424148115 0.59942077371966 0.03975161718771 15.999 > 83 85 O 0.72280630279470 0.44205236783794 0.30528169824824 15.999 > 85 86 O 0.72280630279470 0.94205236783794 0.30528169824824 15.999 > 85 87 O 0.27719369720530 0.05794763216206 0.69471830175176 15.999 > 87 88 O 0.27719369720530 0.55794763216206 0.69471830175176 15.999 > 87 89 O 0.76917249846434 0.25327012982114 0.36863098933499 15.999 > 89 90 O 0.76917249846434 0.75327012982114 0.36863098933499 15.999 > 89 91 O 0.23082750153566 0.24672987017886 0.63136901066501 15.999 > 91 92 O 0.23082750153566 0.74672987017886 0.63136901066501 15.999 > 91 93 O 0.58123575851885 0.09942077371966 0.46024838281229 15.999 > 93 94 O 0.58123575851885 0.59942077371966 0.46024838281229 15.999 > 93 95 O 0.76342903729655 0.37142960178066 0.60103500170911 15.999 > 95 96 O 0.76342903729655 0.87142960178066 0.60103500170911 15.999 > 95 97 O 0.72280630279470 0.05794763216206 0.80528169824824 15.999 > 97 98 O 0.72280630279470 0.55794763216206 0.80528169824824 15.999 > 97 99 O 0.99674075476770 0.38601253431221 0.03397211317437 15.999 > 99 100 O 0.99674075476770 0.88601253431221 0.03397211317437 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5469556 0.0000000 0.0023637 0.0000000 2.5883635 0.0000000 0.0023634 0.0000000 2.5741275 -------------------------- Born effective charges -------------------------- 1 Ca 2.2002999 0.0000000 -0.0277439 -0.0000000 2.2939440 -0.0000000 -0.1009612 0.0000000 2.4001516 2 Ca 2.2002999 0.0000000 -0.0277439 -0.0000000 2.2939440 -0.0000000 -0.1009612 0.0000000 2.4001516 3 B 2.0267490 0.0258348 -0.0490900 -0.0531817 2.4004596 -0.0442188 0.0041850 -0.0107143 2.1417705 4 B 2.0267490 0.0258348 -0.0490900 -0.0531817 2.4004596 -0.0442188 0.0041850 -0.0107143 2.1417705 5 B 2.0267490 -0.0258348 -0.0490900 0.0531817 2.4004596 0.0442188 0.0041850 0.0107143 2.1417705 6 B 2.0267490 -0.0258348 -0.0490900 0.0531817 2.4004596 0.0442188 0.0041850 0.0107143 2.1417705 7 H 0.6840191 0.5421526 -0.1203486 0.4938038 0.9500256 -0.1859312 -0.0936635 -0.1773028 0.3537502 8 H 0.5457283 -0.4170805 -0.2035028 -0.3646829 0.9464253 0.3189616 -0.1559997 0.2933852 0.4883417 9 H 0.5457283 0.4170805 -0.2035028 0.3646829 0.9464253 -0.3189616 -0.1559997 -0.2933852 0.4883417 10 H 0.5457283 -0.4170805 -0.2035028 -0.3646829 0.9464253 0.3189616 -0.1559997 0.2933852 0.4883417 11 H 0.6840191 0.5421526 -0.1203486 0.4938038 0.9500256 -0.1859312 -0.0936635 -0.1773028 0.3537502 12 H 1.5124433 -0.2036075 0.1255290 -0.1819551 0.3513595 -0.0258987 0.1479584 -0.0427357 0.3293569 13 H 0.3826436 0.0175671 0.1735333 0.0321994 0.3073491 0.0790071 0.1788396 0.1350345 1.3027434 14 H 0.6840191 -0.5421526 -0.1203486 -0.4938038 0.9500256 0.1859312 -0.0936635 0.1773028 0.3537502 15 H 0.5457283 0.4170805 -0.2035028 0.3646829 0.9464253 -0.3189616 -0.1559997 -0.2933852 0.4883417 16 H 0.3284839 -0.1022357 -0.0868699 -0.1194709 0.7041732 0.4874348 -0.1035796 0.4853329 0.9596218 17 H 1.5124433 0.2036075 0.1255290 0.1819551 0.3513595 0.0258987 0.1479584 0.0427357 0.3293569 18 H 0.3826436 0.0175671 0.1735333 0.0321994 0.3073491 0.0790071 0.1788396 0.1350345 1.3027434 19 H 0.3826436 -0.0175671 0.1735333 -0.0321994 0.3073491 -0.0790071 0.1788396 -0.1350345 1.3027434 20 H 0.6913649 0.4385178 0.2996268 0.4554930 0.8285609 0.3270489 0.3069271 0.3258735 0.5400715 21 H 1.5124433 -0.2036075 0.1255290 -0.1819551 0.3513595 -0.0258987 0.1479584 -0.0427357 0.3293569 22 H 0.3284839 0.1022357 -0.0868699 0.1194709 0.7041732 -0.4874348 -0.1035796 -0.4853329 0.9596218 23 H 0.3826436 -0.0175671 0.1735333 -0.0321994 0.3073491 -0.0790071 0.1788396 -0.1350345 1.3027434 24 H 0.3284839 -0.1022357 -0.0868699 -0.1194709 0.7041732 0.4874348 -0.1035796 0.4853329 0.9596218 25 H 0.6913649 0.4385178 0.2996268 0.4554930 0.8285609 0.3270489 0.3069271 0.3258735 0.5400715 26 H 1.5124433 0.2036075 0.1255290 0.1819551 0.3513595 0.0258987 0.1479584 0.0427357 0.3293569 27 H 0.6913649 -0.4385178 0.2996268 -0.4554930 0.8285609 -0.3270489 0.3069271 -0.3258735 0.5400715 28 H 0.3284839 0.1022357 -0.0868699 0.1194709 0.7041732 -0.4874348 -0.1035796 -0.4853329 0.9596218 29 H 0.6840191 -0.5421526 -0.1203486 -0.4938038 0.9500256 0.1859312 -0.0936635 0.1773028 0.3537502 30 H 0.6913649 -0.4385178 0.2996268 -0.4554930 0.8285609 -0.3270489 0.3069271 -0.3258735 0.5400715 31 O -1.7152480 -0.0014565 0.2654324 -0.0150086 -1.2030516 0.0067540 0.2395049 0.1476861 -1.6528764 32 O -1.7379285 -0.0826549 -0.2000046 -0.0686999 -1.4380062 -0.1355309 -0.2103181 -0.1972322 -1.3386193 33 O -1.4569190 0.0017566 -0.0332617 -0.0209938 -1.3136603 0.0183344 -0.0265763 -0.0026898 -1.2181029 34 O -1.7152480 0.0014565 0.2654324 0.0150086 -1.2030516 -0.0067540 0.2395049 -0.1476861 -1.6528764 35 O -1.7379285 0.0826549 -0.2000046 0.0686999 -1.4380062 0.1355309 -0.2103181 0.1972322 -1.3386193 36 O -1.7152480 0.0014565 0.2654324 0.0150086 -1.2030516 -0.0067540 0.2395049 -0.1476861 -1.6528764 37 O -1.1218440 0.0544810 -0.0887141 0.0441613 -2.2050602 0.3045454 -0.0825859 0.2402815 -1.3272770 38 O -1.7379285 0.0826549 -0.2000046 0.0686999 -1.4380062 0.1355309 -0.2103181 0.1972322 -1.3386193 39 O -1.2396424 -0.2397145 -0.0684577 -0.2128317 -1.4755469 -0.2427164 -0.1542114 -0.2176358 -1.7788562 40 O -1.1218440 0.0544810 -0.0887141 0.0441613 -2.2050602 0.3045454 -0.0825859 0.2402815 -1.3272770 41 O -1.4569190 -0.0017566 -0.0332617 0.0209938 -1.3136603 -0.0183344 -0.0265763 0.0026898 -1.2181029 42 O -1.4569190 0.0017566 -0.0332617 -0.0209938 -1.3136603 0.0183344 -0.0265763 -0.0026898 -1.2181029 43 O -1.2396424 0.2397145 -0.0684577 0.2128317 -1.4755469 0.2427164 -0.1542114 0.2176358 -1.7788562 44 O -1.2396424 0.2397145 -0.0684577 0.2128317 -1.4755469 0.2427164 -0.1542114 0.2176358 -1.7788562 45 O -1.1218440 -0.0544810 -0.0887141 -0.0441613 -2.2050602 -0.3045454 -0.0825859 -0.2402815 -1.3272770 46 O -1.1218440 -0.0544810 -0.0887141 -0.0441613 -2.2050602 -0.3045454 -0.0825859 -0.2402815 -1.3272770 47 O -1.4569190 -0.0017566 -0.0332617 0.0209938 -1.3136603 -0.0183344 -0.0265763 0.0026898 -1.2181029 48 O -1.7152480 -0.0014565 0.2654324 -0.0150086 -1.2030516 0.0067540 0.2395049 0.1476861 -1.6528764 49 O -1.2396424 -0.2397145 -0.0684577 -0.2128317 -1.4755469 -0.2427164 -0.1542114 -0.2176358 -1.7788562 50 O -1.7379285 -0.0826549 -0.2000046 -0.0686999 -1.4380062 -0.1355309 -0.2103181 -0.1972322 -1.3386193 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 7 ] 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: 0.57, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 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 3.053 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 12.051 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.219 ( 0.000 0.000 0.000) 0.000 12.386 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 13.043 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.892 ( 0.000 0.000 0.000) 0.000 15.600 ( 0.000 0.000 0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 15.803 ( 0.000 0.000 0.000) 0.000 15.927 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 16.672 ( 0.000 0.000 0.000) 0.000 16.790 ( 0.000 0.000 0.000) 0.000 16.954 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.390 ( 0.000 0.000 0.000) 0.000 21.931 ( 0.000 0.000 0.000) 0.000 21.986 ( 0.000 0.000 0.000) 0.000 22.007 ( 0.000 0.000 0.000) 0.000 22.206 ( 0.000 0.000 0.000) 0.000 22.438 ( 0.000 0.000 0.000) 0.000 22.490 ( 0.000 0.000 0.000) 0.000 22.498 ( 0.000 0.000 0.000) 0.000 22.802 ( 0.000 0.000 0.000) 0.000 23.035 ( 0.000 0.000 0.000) 0.000 23.131 ( 0.000 0.000 0.000) 0.000 23.411 ( 0.000 0.000 0.000) 0.000 23.555 ( 0.000 0.000 0.000) 0.000 23.714 ( 0.000 0.000 0.000) 0.000 23.913 ( 0.000 0.000 0.000) 0.000 24.700 ( 0.000 0.000 0.000) 0.000 24.972 ( 0.000 0.000 0.000) 0.000 25.122 ( 0.000 0.000 0.000) 0.000 25.776 ( 0.000 0.000 0.000) 0.000 25.783 ( 0.000 0.000 0.000) 0.000 26.334 ( 0.000 0.000 0.000) 0.000 26.383 ( 0.000 0.000 0.000) 0.000 27.418 ( 0.000 0.000 0.000) 0.000 27.518 ( 0.000 0.000 0.000) 0.000 27.634 ( 0.000 0.000 0.000) 0.000 27.948 ( 0.000 0.000 0.000) 0.000 28.026 ( 0.000 0.000 0.000) 0.000 28.624 ( 0.000 0.000 0.000) 0.000 28.868 ( 0.000 0.000 0.000) 0.000 29.099 ( 0.000 0.000 0.000) 0.000 29.122 ( 0.000 0.000 0.000) 0.000 29.598 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 29.906 ( 0.000 0.000 0.000) 0.000 30.076 ( 0.000 0.000 0.000) 0.000 30.273 ( 0.000 0.000 0.000) 0.000 30.390 ( 0.000 0.000 0.000) 0.000 30.734 ( 0.000 0.000 0.000) 0.000 30.939 ( 0.000 0.000 0.000) 0.000 31.171 ( 0.000 0.000 0.000) 0.000 32.222 ( 0.000 0.000 0.000) 0.000 32.749 ( 0.000 0.000 0.000) 0.000 32.794 ( 0.000 0.000 0.000) 0.000 33.009 ( 0.000 0.000 0.000) 0.000 33.716 ( 0.000 0.000 0.000) 0.000 34.595 ( 0.000 0.000 0.000) 0.000 34.816 ( 0.000 0.000 0.000) 0.000 34.952 ( 0.000 0.000 0.000) 0.000 35.380 ( 0.000 0.000 0.000) 0.000 36.266 ( 0.000 0.000 0.000) 0.000 36.615 ( 0.000 0.000 0.000) 0.000 37.439 ( 0.000 0.000 0.000) 0.000 37.774 ( 0.000 0.000 0.000) 0.000 37.967 ( 0.000 0.000 0.000) 0.000 38.018 ( 0.000 0.000 0.000) 0.000 38.572 ( 0.000 0.000 0.000) 0.000 38.667 ( 0.000 0.000 0.000) 0.000 38.943 ( 0.000 0.000 0.000) 0.000 39.000 ( 0.000 0.000 0.000) 0.000 39.485 ( 0.000 0.000 0.000) 0.000 39.641 ( 0.000 0.000 0.000) 0.000 49.183 ( 0.000 0.000 0.000) 0.000 49.322 ( 0.000 0.000 0.000) 0.000 49.460 ( 0.000 0.000 0.000) 0.000 49.509 ( 0.000 0.000 0.000) 0.000 86.588 ( 0.000 0.000 0.000) 0.000 86.688 ( 0.000 0.000 0.000) 0.000 86.714 ( 0.000 0.000 0.000) 0.000 87.208 ( 0.000 0.000 0.000) 0.000 89.301 ( 0.000 0.000 0.000) 0.000 89.398 ( 0.000 0.000 0.000) 0.000 89.499 ( 0.000 0.000 0.000) 0.000 89.555 ( 0.000 0.000 0.000) 0.000 89.836 ( 0.000 0.000 0.000) 0.000 90.767 ( 0.000 0.000 0.000) 0.000 91.310 ( 0.000 0.000 0.000) 0.000 91.328 ( 0.000 0.000 0.000) 0.000 92.152 ( 0.000 0.000 0.000) 0.000 92.237 ( 0.000 0.000 0.000) 0.000 92.633 ( 0.000 0.000 0.000) 0.000 92.658 ( 0.000 0.000 0.000) 0.000 95.238 ( 0.000 0.000 0.000) 0.000 95.547 ( 0.000 0.000 0.000) 0.000 95.957 ( 0.000 0.000 0.000) 0.000 96.015 ( 0.000 0.000 0.000) 0.000 96.456 ( 0.000 0.000 0.000) 0.000 96.735 ( 0.000 0.000 0.000) 0.000 97.055 ( 0.000 0.000 0.000) 0.000 97.324 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 18.522 0.000 7.944) 20.154 0.554 ( 27.288 0.000 8.367) 28.542 1.058 ( 51.480 0.000 16.964) 54.203 3.141 ( 10.396 0.000 -3.953) 11.122 3.249 ( -19.985 0.000 -7.853) 21.473 3.705 ( -1.562 0.000 -2.781) 3.190 3.920 ( 3.799 0.000 2.463) 4.527 4.235 ( 4.136 0.000 5.711) 7.052 4.358 ( 1.047 0.000 0.753) 1.290 4.624 ( 6.521 0.000 -10.821) 12.634 4.664 ( -1.554 0.000 -2.415) 2.872 4.912 ( -0.299 0.000 2.489) 2.507 4.982 ( 8.024 0.000 -1.728) 8.208 5.040 ( 2.712 0.000 3.826) 4.690 5.076 ( 4.041 0.000 5.145) 6.543 5.389 ( -8.212 0.000 -0.401) 8.222 5.491 ( -1.658 0.000 -0.320) 1.688 5.583 ( -3.732 0.000 -3.478) 5.102 5.723 ( -9.129 0.000 2.287) 9.411 5.851 ( 5.537 0.000 3.462) 6.530 5.889 ( -5.561 0.000 9.427) 10.945 6.186 ( -5.494 0.000 25.591) 26.174 6.291 ( -15.215 0.000 8.397) 17.378 6.640 ( -0.320 0.000 -3.560) 3.574 6.877 ( -8.015 0.000 -11.269) 13.829 6.903 ( 4.926 0.000 -0.972) 5.021 6.995 ( 12.970 0.000 -10.505) 16.691 7.045 ( -2.267 0.000 0.763) 2.392 7.207 ( -6.027 0.000 -0.704) 6.068 7.334 ( -6.161 0.000 -4.839) 7.834 7.731 ( 9.786 0.000 0.793) 9.818 7.744 ( 10.214 0.000 -3.952) 10.952 8.050 ( 8.063 0.000 2.054) 8.320 8.060 ( 15.300 0.000 8.910) 17.705 8.710 ( -3.074 0.000 2.593) 4.022 8.711 ( -1.450 0.000 -0.650) 1.589 9.128 ( -3.870 0.000 0.271) 3.880 9.372 ( -11.151 0.000 7.263) 13.308 9.463 ( -0.614 0.000 -1.312) 1.448 9.914 ( -10.349 0.000 -0.201) 10.351 10.061 ( -5.573 0.000 2.069) 5.944 10.293 ( -3.409 0.000 2.987) 4.533 12.005 ( -3.530 0.000 -0.978) 3.663 12.019 ( -6.171 0.000 -0.546) 6.195 12.275 ( 4.173 0.000 2.157) 4.698 12.470 ( 5.226 0.000 2.481) 5.785 12.680 ( 0.505 0.000 -0.312) 0.594 13.037 ( -2.594 0.000 0.347) 2.617 13.157 ( 1.725 0.000 -10.290) 10.433 13.882 ( -0.887 0.000 -0.356) 0.956 15.611 ( 0.801 0.000 1.435) 1.644 15.665 ( 3.691 0.000 -0.392) 3.712 15.794 ( -0.452 0.000 -2.426) 2.468 16.010 ( -0.618 0.000 1.578) 1.695 16.200 ( 1.288 0.000 -0.855) 1.546 16.374 ( 2.957 0.000 2.495) 3.869 16.548 ( -1.556 0.000 -4.449) 4.713 16.684 ( 1.903 0.000 -6.081) 6.372 16.794 ( 0.430 0.000 -1.075) 1.158 16.942 ( -1.320 0.000 1.663) 2.123 17.001 ( -2.571 0.000 0.202) 2.579 17.417 ( 1.045 0.000 2.400) 2.618 21.985 ( 0.234 0.000 -0.999) 1.026 21.996 ( -0.583 0.000 -0.518) 0.780 22.011 ( -1.117 0.000 16.560) 16.597 22.222 ( 0.993 0.000 -0.298) 1.037 22.438 ( -0.216 0.000 1.684) 1.698 22.465 ( -1.938 0.000 -1.290) 2.328 22.506 ( 1.267 0.000 -1.041) 1.640 22.775 ( -2.441 0.000 -0.988) 2.634 23.074 ( -5.230 0.000 -0.766) 5.286 23.075 ( 1.763 0.000 0.314) 1.791 23.453 ( 1.391 0.000 3.830) 4.075 23.558 ( 0.540 0.000 -0.241) 0.591 23.732 ( 1.884 0.000 -0.967) 2.118 23.955 ( 3.154 0.000 2.803) 4.219 24.695 ( -0.441 0.000 -0.376) 0.580 25.124 ( 0.229 0.000 -0.017) 0.230 25.189 ( -3.525 0.000 -16.175) 16.555 25.743 ( -2.590 0.000 -4.795) 5.450 25.820 ( 3.738 0.000 1.079) 3.891 26.280 ( -2.550 0.000 12.045) 12.312 26.609 ( 18.752 0.000 -6.645) 19.895 27.448 ( 3.201 0.000 -1.466) 3.521 27.645 ( 4.543 0.000 -15.332) 15.991 27.678 ( 6.608 0.000 -5.432) 8.554 27.994 ( 4.839 0.000 -0.363) 4.853 28.559 ( -9.260 0.000 5.007) 10.528 28.869 ( -6.504 0.000 6.080) 8.903 28.925 ( 4.612 0.000 1.730) 4.925 29.091 ( -0.657 0.000 5.862) 5.899 29.540 ( -3.846 0.000 -2.957) 4.852 29.639 ( -7.692 0.000 -5.780) 9.622 29.864 ( 7.219 0.000 -4.960) 8.759 30.019 ( -5.640 0.000 -2.481) 6.161 30.277 ( -0.221 0.000 3.922) 3.928 30.347 ( -17.386 0.000 40.597) 44.164 30.455 ( -1.520 0.000 6.762) 6.931 30.798 ( 6.370 0.000 -4.953) 8.069 30.944 ( 0.703 0.000 -0.860) 1.111 31.120 ( -5.031 0.000 0.081) 5.031 32.273 ( 4.329 0.000 2.296) 4.900 32.700 ( -5.031 0.000 1.207) 5.174 32.857 ( 2.288 0.000 -6.302) 6.705 32.977 ( -3.117 0.000 1.105) 3.307 33.740 ( 2.350 0.000 -0.035) 2.350 34.566 ( -2.980 0.000 0.701) 3.061 34.904 ( -4.752 0.000 -1.412) 4.957 34.926 ( 1.181 0.000 0.727) 1.387 35.398 ( 2.232 0.000 -1.384) 2.627 36.637 ( 2.747 0.000 -2.014) 3.406 36.817 ( 2.137 0.000 -8.129) 8.405 37.488 ( 5.343 0.000 -0.344) 5.354 37.771 ( -1.385 0.000 3.828) 4.071 38.010 ( -0.780 0.000 10.770) 10.798 38.041 ( 1.430 0.000 2.020) 2.475 38.526 ( -4.583 0.000 1.006) 4.693 38.638 ( -2.846 0.000 1.463) 3.200 38.981 ( -2.125 0.000 -0.356) 2.155 38.986 ( 4.886 0.000 -3.931) 6.271 39.502 ( 1.941 0.000 -0.697) 2.062 39.626 ( -1.793 0.000 0.731) 1.937 49.186 ( 0.222 0.000 0.186) 0.290 49.387 ( 2.037 0.000 -8.757) 8.991 49.447 ( -0.953 0.000 -0.787) 1.237 49.522 ( 0.874 0.000 0.882) 1.242 86.596 ( 0.912 0.000 -0.346) 0.976 86.658 ( -1.033 0.000 3.161) 3.325 86.801 ( 7.192 0.000 -4.610) 8.543 88.940 ( 15.018 0.000 -59.435) 61.303 89.398 ( -0.187 0.000 0.561) 0.591 89.473 ( -2.423 0.000 -0.754) 2.537 89.547 ( -0.828 0.000 -0.004) 0.828 89.823 ( -1.241 0.000 -0.464) 1.324 90.790 ( 3.806 0.000 -2.794) 4.721 91.281 ( -2.421 0.000 4.692) 5.280 91.374 ( 2.918 0.000 -0.031) 2.918 91.539 ( -24.508 0.000 79.014) 82.728 92.155 ( 1.303 0.000 -3.088) 3.351 92.231 ( -0.794 0.000 0.637) 1.018 92.625 ( -3.443 0.000 -0.191) 3.448 92.641 ( 2.788 0.000 -9.250) 9.661 95.553 ( 0.186 0.000 1.525) 1.537 95.740 ( 8.598 0.000 -34.942) 35.985 95.942 ( 0.031 0.000 -5.614) 5.614 96.025 ( -0.456 0.000 5.041) 5.062 96.665 ( -11.134 0.000 35.676) 37.373 96.742 ( -0.075 0.000 3.247) 3.248 97.087 ( 2.547 0.000 2.201) 3.366 97.320 ( 0.276 0.000 -2.543) 2.558 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 18.112 0.000 7.115) 19.460 1.056 ( 22.681 0.000 6.678) 23.643 1.999 ( 40.653 0.000 15.543) 43.523 2.808 ( -20.461 0.000 -10.592) 23.040 3.367 ( 14.969 0.000 -5.595) 15.981 3.533 ( -11.699 0.000 -2.647) 11.995 4.111 ( 10.037 0.000 3.591) 10.660 4.352 ( 5.570 0.000 4.989) 7.478 4.401 ( 3.940 0.000 0.431) 3.963 4.619 ( -2.417 0.000 -8.835) 9.160 4.633 ( 1.253 0.000 -4.507) 4.678 4.922 ( -1.738 0.000 6.597) 6.823 5.049 ( -3.651 0.000 -0.230) 3.659 5.122 ( 2.846 0.000 3.158) 4.251 5.187 ( 2.148 0.000 5.065) 5.501 5.204 ( -7.889 0.000 0.121) 7.890 5.418 ( -6.255 0.000 -2.863) 6.879 5.478 ( -5.167 0.000 -5.382) 7.461 5.648 ( 5.489 0.000 0.161) 5.492 5.842 ( -0.579 0.000 -1.545) 1.650 5.993 ( 7.217 0.000 6.738) 9.873 6.099 ( -8.539 0.000 11.406) 14.248 6.244 ( 0.214 0.000 10.796) 10.798 6.568 ( -5.929 0.000 -6.103) 8.509 6.641 ( -10.144 0.000 -13.931) 17.233 6.835 ( -6.002 0.000 -9.951) 11.621 6.981 ( -3.789 0.000 5.610) 6.770 7.153 ( 1.240 0.000 -6.010) 6.137 7.222 ( 8.604 0.000 -5.597) 10.265 7.251 ( 0.654 0.000 2.703) 2.781 7.938 ( 13.823 0.000 -4.775) 14.625 8.011 ( 15.745 0.000 8.245) 17.774 8.251 ( 10.470 0.000 7.174) 12.692 8.379 ( 15.751 0.000 2.443) 15.939 8.648 ( -5.543 0.000 4.480) 7.127 8.675 ( -1.697 0.000 0.229) 1.712 9.019 ( -6.918 0.000 -4.425) 8.212 9.134 ( -15.809 0.000 0.622) 15.821 9.421 ( -3.378 0.000 -3.901) 5.160 9.673 ( -15.432 0.000 1.513) 15.506 9.930 ( -8.354 0.000 2.359) 8.680 10.245 ( -3.066 0.000 3.952) 5.002 11.924 ( -3.664 0.000 -0.073) 3.665 11.940 ( -2.677 0.000 -1.260) 2.959 12.360 ( 3.374 0.000 2.683) 4.311 12.516 ( -1.069 0.000 1.295) 1.679 12.736 ( 5.005 0.000 1.095) 5.124 12.990 ( -2.370 0.000 0.554) 2.434 13.132 ( -0.606 0.000 -4.830) 4.868 13.860 ( -1.226 0.000 -0.539) 1.339 15.641 ( 1.291 0.000 2.935) 3.206 15.748 ( 5.133 0.000 -0.644) 5.173 15.766 ( -0.863 0.000 -4.195) 4.283 16.001 ( -1.072 0.000 1.007) 1.471 16.218 ( 0.796 0.000 -0.402) 0.892 16.463 ( 4.766 0.000 3.562) 5.950 16.502 ( -1.891 0.000 -0.881) 2.086 16.668 ( -0.540 0.000 -5.266) 5.294 16.773 ( -2.035 0.000 -4.095) 4.573 16.937 ( 0.017 0.000 1.602) 1.602 16.964 ( -1.186 0.000 1.920) 2.257 17.449 ( 1.162 0.000 1.991) 2.305 21.988 ( 1.116 0.000 -2.522) 2.758 21.994 ( 0.709 0.000 -0.933) 1.172 22.066 ( -0.604 0.000 10.581) 10.598 22.216 ( -1.595 0.000 0.274) 1.618 22.439 ( 0.730 0.000 -1.141) 1.355 22.456 ( 1.684 0.000 0.085) 1.687 22.530 ( 0.998 0.000 0.516) 1.123 22.709 ( -4.160 0.000 -1.285) 4.354 22.970 ( -4.799 0.000 -0.797) 4.865 23.114 ( 1.953 0.000 0.798) 2.109 23.493 ( 1.178 0.000 1.718) 2.083 23.576 ( 1.523 0.000 -0.357) 1.564 23.762 ( 1.738 0.000 -1.182) 2.101 24.025 ( 2.338 0.000 3.098) 3.881 24.683 ( -0.580 0.000 -0.441) 0.729 25.032 ( -6.159 0.000 -8.847) 10.780 25.127 ( 0.042 0.000 0.131) 0.137 25.678 ( -1.205 0.000 -5.236) 5.373 25.896 ( 3.532 0.000 0.984) 3.667 26.317 ( -0.939 0.000 11.968) 12.005 26.976 ( 24.867 0.000 -8.965) 26.434 27.499 ( 2.783 0.000 -2.244) 3.575 27.673 ( 3.442 0.000 -5.138) 6.184 27.840 ( 13.424 0.000 -5.990) 14.700 28.101 ( 6.612 0.000 -2.457) 7.054 28.324 ( -18.499 0.000 8.005) 20.157 28.788 ( -2.656 0.000 2.263) 3.489 28.919 ( -7.975 0.000 3.830) 8.847 29.242 ( 12.836 0.000 8.045) 15.149 29.431 ( -8.259 0.000 -0.422) 8.270 29.462 ( -7.084 0.000 -5.049) 8.700 29.877 ( -7.037 0.000 -4.068) 8.128 29.952 ( 2.605 0.000 1.165) 2.854 30.187 ( -12.419 0.000 19.889) 23.448 30.265 ( -4.006 0.000 0.759) 4.077 30.491 ( 3.426 0.000 -2.715) 4.371 30.858 ( 3.577 0.000 -10.839) 11.414 30.955 ( 0.245 0.000 0.822) 0.857 31.029 ( -5.020 0.000 5.430) 7.395 32.372 ( 4.395 0.000 3.242) 5.461 32.602 ( -5.345 0.000 0.435) 5.362 32.867 ( 1.831 0.000 -5.681) 5.969 32.935 ( -1.603 0.000 1.741) 2.367 33.786 ( 2.283 0.000 -0.011) 2.283 34.512 ( -3.045 0.000 2.009) 3.648 34.780 ( -6.834 0.000 -3.340) 7.606 34.952 ( 0.562 0.000 2.845) 2.900 35.441 ( 2.838 0.000 -1.594) 3.256 36.688 ( 3.441 0.000 -2.017) 3.988 36.820 ( 1.125 0.000 -3.615) 3.786 37.619 ( 8.734 0.000 -0.681) 8.761 37.760 ( -1.729 0.000 4.053) 4.407 38.054 ( -2.009 0.000 1.944) 2.795 38.056 ( 2.078 0.000 2.515) 3.262 38.442 ( -4.451 0.000 0.805) 4.524 38.613 ( -0.151 0.000 3.242) 3.246 38.915 ( -4.572 0.000 -1.463) 4.800 39.061 ( 4.703 0.000 -3.672) 5.967 39.541 ( 2.348 0.000 -0.689) 2.447 39.588 ( -2.534 0.000 1.150) 2.782 49.192 ( 0.289 0.000 0.246) 0.379 49.383 ( 0.650 0.000 -3.494) 3.554 49.426 ( -0.796 0.000 -0.632) 1.017 49.541 ( 0.696 0.000 0.750) 1.023 86.615 ( 1.158 0.000 -0.438) 1.238 86.684 ( 1.794 0.000 3.111) 3.592 86.904 ( 6.012 0.000 -5.028) 7.837 88.940 ( 5.791 0.000 -22.887) 23.608 89.397 ( -0.233 0.000 0.744) 0.780 89.417 ( -2.907 0.000 -0.673) 2.983 89.528 ( -1.184 0.000 -0.055) 1.186 89.793 ( -1.550 0.000 -0.596) 1.661 90.868 ( 5.545 0.000 -1.540) 5.755 91.271 ( -1.176 0.000 4.791) 4.933 91.417 ( 1.341 0.000 0.858) 1.592 91.429 ( -14.158 0.000 29.003) 32.274 92.182 ( 3.625 0.000 -3.709) 5.187 92.216 ( -1.055 0.000 0.384) 1.123 92.536 ( -5.927 0.000 -0.318) 5.935 92.651 ( 1.181 0.000 -2.264) 2.553 95.565 ( 0.181 0.000 2.051) 2.059 95.735 ( 3.465 0.000 -14.863) 15.262 95.914 ( -0.294 0.000 -4.644) 4.653 96.040 ( -0.259 0.000 3.882) 3.890 96.624 ( -5.315 0.000 12.900) 13.952 96.760 ( -0.060 0.000 4.315) 4.315 97.150 ( 2.762 0.000 1.987) 3.402 97.311 ( 0.341 0.000 -3.389) 3.406 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 10.259 0.000 3.722) 10.913 1.396 ( 10.006 0.000 2.836) 10.400 2.341 ( -9.013 0.000 0.829) 9.051 2.751 ( 17.360 0.000 0.767) 17.377 3.322 ( -6.675 0.000 -1.576) 6.859 3.593 ( 8.184 0.000 -2.821) 8.657 4.220 ( 0.871 0.000 2.977) 3.102 4.453 ( -0.499 0.000 4.805) 4.831 4.485 ( -2.778 0.000 -7.810) 8.290 4.490 ( 3.287 0.000 0.335) 3.304 4.707 ( 9.546 0.000 -7.642) 12.228 4.874 ( -7.796 0.000 7.163) 10.587 4.930 ( -5.433 0.000 2.170) 5.851 5.042 ( -5.388 0.000 3.435) 6.390 5.139 ( -0.865 0.000 0.503) 1.000 5.289 ( 4.275 0.000 -3.039) 5.245 5.326 ( -1.813 0.000 -2.509) 3.095 5.372 ( -4.004 0.000 0.168) 4.008 5.790 ( 4.119 0.000 1.644) 4.435 5.870 ( 4.800 0.000 -5.552) 7.339 6.040 ( -3.264 0.000 7.851) 8.503 6.171 ( 7.608 0.000 9.187) 11.928 6.322 ( 3.608 0.000 5.883) 6.901 6.399 ( -6.950 0.000 -7.410) 10.159 6.427 ( -6.513 0.000 -7.293) 9.777 6.649 ( -7.441 0.000 -7.793) 10.775 6.973 ( -0.100 0.000 2.199) 2.201 7.157 ( 0.917 0.000 -2.566) 2.725 7.226 ( -0.274 0.000 0.780) 0.826 7.362 ( 3.693 0.000 -1.035) 3.835 8.216 ( 18.192 0.000 -5.251) 18.935 8.313 ( 10.898 0.000 9.778) 14.641 8.457 ( 6.891 0.000 4.755) 8.372 8.509 ( -2.024 0.000 -8.108) 8.357 8.518 ( -12.816 0.000 6.880) 14.546 8.790 ( 13.574 0.000 3.624) 14.049 8.850 ( -8.126 0.000 0.647) 8.152 8.887 ( -6.673 0.000 -6.250) 9.143 9.253 ( -13.033 0.000 -3.280) 13.440 9.449 ( -6.397 0.000 1.241) 6.516 9.827 ( -3.135 0.000 1.082) 3.317 10.223 ( -0.902 0.000 1.780) 1.996 11.883 ( -0.958 0.000 0.054) 0.960 11.901 ( -0.958 0.000 -0.612) 1.137 12.412 ( 1.161 0.000 1.229) 1.691 12.490 ( -1.247 0.000 0.244) 1.271 12.824 ( 2.883 0.000 1.031) 3.062 12.964 ( -0.705 0.000 0.300) 0.766 13.098 ( -0.951 0.000 -1.873) 2.101 13.839 ( -0.599 0.000 -0.280) 0.661 15.682 ( 1.299 0.000 4.230) 4.425 15.726 ( -1.133 0.000 -4.798) 4.930 15.825 ( 2.911 0.000 -0.445) 2.945 15.982 ( -1.084 0.000 0.502) 1.194 16.226 ( 0.200 0.000 -0.021) 0.201 16.475 ( -0.740 0.000 -0.080) 0.744 16.573 ( 5.113 0.000 4.295) 6.678 16.635 ( -0.693 0.000 -1.919) 2.041 16.685 ( -4.621 0.000 -4.927) 6.755 16.948 ( 0.327 0.000 0.485) 0.585 16.970 ( 0.284 0.000 1.100) 1.136 17.472 ( 0.450 0.000 0.794) 0.913 22.003 ( 1.372 0.000 -2.153) 2.553 22.007 ( 0.844 0.000 -0.670) 1.077 22.073 ( -1.878 0.000 4.661) 5.025 22.186 ( -1.301 0.000 0.588) 1.427 22.486 ( 1.468 0.000 -1.323) 1.977 22.496 ( 4.995 0.000 0.723) 5.047 22.536 ( -0.559 0.000 1.382) 1.491 22.613 ( -5.398 0.000 -1.476) 5.596 22.911 ( -1.337 0.000 -0.253) 1.360 23.145 ( 0.871 0.000 0.428) 0.971 23.512 ( 0.357 0.000 0.501) 0.615 23.599 ( 0.792 0.000 -0.133) 0.804 23.780 ( 0.642 0.000 -0.592) 0.873 24.060 ( 0.499 0.000 1.300) 1.392 24.673 ( -0.273 0.000 -0.176) 0.325 24.915 ( -2.801 0.000 -3.134) 4.203 25.127 ( -0.053 0.000 0.105) 0.118 25.655 ( 0.222 0.000 -2.163) 2.174 25.947 ( 1.386 0.000 0.378) 1.436 26.336 ( -0.972 0.000 4.711) 4.810 27.420 ( 27.404 0.000 -9.800) 29.104 27.524 ( 0.916 0.000 -1.064) 1.404 27.706 ( 1.366 0.000 -1.157) 1.790 27.856 ( -20.871 0.000 6.502) 21.861 28.178 ( 2.466 0.000 -1.988) 3.168 28.213 ( 11.352 0.000 1.327) 11.429 28.697 ( -14.273 0.000 -0.103) 14.273 28.835 ( 5.811 0.000 0.944) 5.887 29.232 ( -11.036 0.000 0.986) 11.080 29.375 ( -1.455 0.000 -0.151) 1.462 29.533 ( 11.650 0.000 6.715) 13.447 29.760 ( -3.240 0.000 -2.338) 3.995 29.974 ( -0.122 0.000 1.605) 1.610 30.116 ( -2.300 0.000 4.570) 5.116 30.120 ( -8.281 0.000 -4.400) 9.377 30.534 ( 1.629 0.000 -0.710) 1.777 30.872 ( 2.843 0.000 -5.745) 6.411 30.958 ( 0.007 0.000 0.092) 0.092 30.980 ( -3.218 0.000 4.442) 5.485 32.442 ( 1.567 0.000 1.776) 2.369 32.530 ( -2.080 0.000 -0.092) 2.082 32.872 ( 0.707 0.000 -2.433) 2.534 32.932 ( 0.084 0.000 0.892) 0.896 33.816 ( 0.868 0.000 0.008) 0.868 34.484 ( -0.956 0.000 1.897) 2.124 34.659 ( -3.569 0.000 -2.633) 4.435 34.968 ( 0.110 0.000 1.348) 1.353 35.475 ( 1.261 0.000 -0.656) 1.422 36.730 ( 1.518 0.000 -0.762) 1.699 36.824 ( 0.431 0.000 -1.165) 1.242 37.749 ( -0.770 0.000 1.604) 1.780 37.781 ( 8.212 0.000 -0.771) 8.248 37.978 ( -6.069 0.000 1.040) 6.158 38.096 ( 1.200 0.000 0.535) 1.314 38.384 ( -1.793 0.000 0.266) 1.812 38.668 ( 3.591 0.000 3.363) 4.920 38.812 ( -4.903 0.000 -2.397) 5.457 39.112 ( 1.949 0.000 -1.627) 2.539 39.554 ( -1.283 0.000 0.641) 1.434 39.572 ( 1.004 0.000 -0.260) 1.037 49.197 ( 0.133 0.000 0.115) 0.176 49.380 ( 0.152 0.000 -1.035) 1.046 49.414 ( -0.297 0.000 -0.231) 0.376 49.553 ( 0.252 0.000 0.283) 0.379 86.630 ( 0.523 0.000 -0.197) 0.559 86.730 ( 1.341 0.000 1.623) 2.106 86.963 ( 2.173 0.000 -2.524) 3.330 88.940 ( 1.662 0.000 -6.563) 6.770 89.375 ( -1.233 0.000 -0.198) 1.248 89.396 ( -0.103 0.000 0.350) 0.365 89.509 ( -0.597 0.000 -0.045) 0.599 89.768 ( -0.693 0.000 -0.275) 0.746 90.959 ( 3.998 0.000 -1.309) 4.207 91.276 ( -0.240 0.000 2.162) 2.175 91.316 ( -6.607 0.000 8.836) 11.033 91.431 ( 0.128 0.000 0.239) 0.271 92.201 ( -0.483 0.000 0.069) 0.488 92.252 ( 4.629 0.000 -1.744) 4.946 92.422 ( -5.496 0.000 0.031) 5.497 92.660 ( 0.370 0.000 -0.364) 0.519 95.575 ( 0.061 0.000 0.979) 0.981 95.730 ( 1.042 0.000 -4.645) 4.761 95.894 ( -0.193 0.000 -1.678) 1.689 96.049 ( -0.062 0.000 1.323) 1.325 96.597 ( -1.701 0.000 3.606) 3.987 96.775 ( -0.015 0.000 2.027) 2.027 97.194 ( 1.137 0.000 0.735) 1.354 97.304 ( 0.150 0.000 -1.599) 1.606 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 28.049 0.000) 28.049 0.890 ( 0.000 44.867 0.000) 44.867 1.293 ( 0.000 65.270 0.000) 65.270 3.084 ( 0.000 2.785 0.000) 2.785 3.544 ( 0.000 5.474 0.000) 5.474 3.704 ( 0.000 0.892 0.000) 0.892 3.949 ( 0.000 4.419 0.000) 4.419 4.213 ( 0.000 -1.605 0.000) 1.605 4.347 ( 0.000 4.285 0.000) 4.285 4.454 ( 0.000 -2.059 0.000) 2.059 4.547 ( 0.000 -8.551 0.000) 8.551 4.846 ( 0.000 -5.759 0.000) 5.759 4.907 ( 0.000 -4.771 0.000) 4.771 5.040 ( 0.000 3.263 0.000) 3.263 5.245 ( 0.000 -4.973 0.000) 4.973 5.326 ( 0.000 9.835 0.000) 9.835 5.352 ( 0.000 -9.963 0.000) 9.963 5.438 ( 0.000 -13.107 0.000) 13.107 5.620 ( 0.000 4.501 0.000) 4.501 5.782 ( 0.000 -0.408 0.000) 0.408 6.011 ( 0.000 9.535 0.000) 9.535 6.207 ( 0.000 4.855 0.000) 4.855 6.351 ( 0.000 -8.820 0.000) 8.820 6.584 ( 0.000 -8.184 0.000) 8.184 6.756 ( 0.000 6.098 0.000) 6.098 6.832 ( 0.000 -14.277 0.000) 14.277 6.892 ( 0.000 -3.172 0.000) 3.172 7.060 ( 0.000 -4.554 0.000) 4.554 7.083 ( 0.000 -4.333 0.000) 4.333 7.527 ( 0.000 -2.384 0.000) 2.384 7.653 ( 0.000 2.214 0.000) 2.214 7.695 ( 0.000 -2.492 0.000) 2.492 7.972 ( 0.000 12.437 0.000) 12.437 8.022 ( 0.000 0.261 0.000) 0.261 8.452 ( 0.000 -15.840 0.000) 15.840 8.638 ( 0.000 -11.675 0.000) 11.675 9.278 ( 0.000 20.391 0.000) 20.391 9.370 ( 0.000 2.991 0.000) 2.991 9.684 ( 0.000 8.106 0.000) 8.106 10.071 ( 0.000 6.458 0.000) 6.458 10.188 ( 0.000 -11.951 0.000) 11.951 10.914 ( 0.000 2.468 0.000) 2.468 12.052 ( 0.000 -2.915 0.000) 2.915 12.072 ( 0.000 1.547 0.000) 1.547 12.301 ( 0.000 5.713 0.000) 5.713 12.433 ( 0.000 4.164 0.000) 4.164 12.732 ( 0.000 5.132 0.000) 5.132 12.970 ( 0.000 -4.781 0.000) 4.781 13.122 ( 0.000 3.549 0.000) 3.549 14.009 ( 0.000 -2.465 0.000) 2.465 15.592 ( 0.000 -0.704 0.000) 0.704 15.601 ( 0.000 -2.623 0.000) 2.623 15.833 ( 0.000 0.637 0.000) 0.637 15.923 ( 0.000 -0.404 0.000) 0.404 16.211 ( 0.000 -5.066 0.000) 5.066 16.326 ( 0.000 -1.639 0.000) 1.639 16.464 ( 0.000 -5.046 0.000) 5.046 16.668 ( 0.000 -0.513 0.000) 0.513 16.823 ( 0.000 2.742 0.000) 2.742 16.962 ( 0.000 1.323 0.000) 1.323 17.117 ( 0.000 3.017 0.000) 3.017 17.375 ( 0.000 -1.406 0.000) 1.406 21.872 ( 0.000 -6.626 0.000) 6.626 21.922 ( 0.000 -0.728 0.000) 0.728 22.120 ( 0.000 5.193 0.000) 5.193 22.224 ( 0.000 1.433 0.000) 1.433 22.345 ( 0.000 -5.980 0.000) 5.980 22.501 ( 0.000 -0.104 0.000) 0.104 22.579 ( 0.000 5.635 0.000) 5.635 22.780 ( 0.000 -2.019 0.000) 2.019 23.020 ( 0.000 -1.370 0.000) 1.370 23.134 ( 0.000 0.176 0.000) 0.176 23.405 ( 0.000 -0.567 0.000) 0.567 23.536 ( 0.000 -1.798 0.000) 1.798 23.793 ( 0.000 3.953 0.000) 3.953 23.895 ( 0.000 -1.807 0.000) 1.807 24.695 ( 0.000 -0.447 0.000) 0.447 24.934 ( 0.000 -3.442 0.000) 3.442 25.109 ( 0.000 -6.123 0.000) 6.123 25.829 ( 0.000 3.729 0.000) 3.729 25.853 ( 0.000 6.892 0.000) 6.892 26.356 ( 0.000 -1.930 0.000) 1.930 26.357 ( 0.000 0.254 0.000) 0.254 27.412 ( 0.000 -0.618 0.000) 0.618 27.534 ( 0.000 1.493 0.000) 1.493 27.703 ( 0.000 -1.151 0.000) 1.151 27.943 ( 0.000 0.950 0.000) 0.950 27.987 ( 0.000 -4.739 0.000) 4.739 28.409 ( 0.000 -13.966 0.000) 13.966 28.789 ( 0.000 -8.275 0.000) 8.275 28.977 ( 0.000 -6.291 0.000) 6.291 29.469 ( 0.000 22.006 0.000) 22.006 29.660 ( 0.000 5.886 0.000) 5.886 29.878 ( 0.000 12.311 0.000) 12.311 29.963 ( 0.000 -0.176 0.000) 0.176 30.083 ( 0.000 5.967 0.000) 5.967 30.237 ( 0.000 -13.459 0.000) 13.459 30.657 ( 0.000 -3.302 0.000) 3.302 31.084 ( 0.000 9.972 0.000) 9.972 31.201 ( 0.000 3.545 0.000) 3.545 31.513 ( 0.000 -4.778 0.000) 4.778 32.249 ( 0.000 2.343 0.000) 2.343 32.764 ( 0.000 -2.092 0.000) 2.092 32.855 ( 0.000 10.530 0.000) 10.530 33.102 ( 0.000 8.672 0.000) 8.672 34.514 ( 0.000 -6.930 0.000) 6.930 34.562 ( 0.000 -6.514 0.000) 6.514 34.826 ( 0.000 -8.078 0.000) 8.078 34.888 ( 0.000 5.884 0.000) 5.884 35.482 ( 0.000 6.781 0.000) 6.781 36.277 ( 0.000 1.231 0.000) 1.231 37.375 ( 0.000 -6.698 0.000) 6.698 37.406 ( 0.000 -3.320 0.000) 3.320 37.857 ( 0.000 6.473 0.000) 6.473 37.938 ( 0.000 -1.687 0.000) 1.687 38.056 ( 0.000 2.661 0.000) 2.661 38.566 ( 0.000 -0.466 0.000) 0.466 38.825 ( 0.000 -8.192 0.000) 8.192 39.064 ( 0.000 2.947 0.000) 2.947 39.253 ( 0.000 -5.045 0.000) 5.045 39.619 ( 0.000 0.065 0.000) 0.065 39.661 ( 0.000 1.473 0.000) 1.473 49.168 ( 0.000 -1.418 0.000) 1.418 49.307 ( 0.000 -1.313 0.000) 1.313 49.479 ( 0.000 0.902 0.000) 0.902 49.529 ( 0.000 1.805 0.000) 1.805 86.582 ( 0.000 -0.527 0.000) 0.527 86.720 ( 0.000 0.607 0.000) 0.607 86.822 ( 0.000 0.032 0.000) 0.032 87.181 ( 0.000 -2.675 0.000) 2.675 89.302 ( 0.000 0.106 0.000) 0.106 89.398 ( 0.000 0.013 0.000) 0.013 89.499 ( 0.000 -2.361 0.000) 2.361 89.559 ( 0.000 0.462 0.000) 0.462 89.868 ( 0.000 2.879 0.000) 2.879 90.600 ( 0.000 -14.102 0.000) 14.102 91.419 ( 0.000 8.461 0.000) 8.461 91.979 ( 0.000 -12.406 0.000) 12.406 92.167 ( 0.000 -6.058 0.000) 6.058 92.527 ( 0.000 3.393 0.000) 3.393 92.848 ( 0.000 16.438 0.000) 16.438 92.995 ( 0.000 0.250 0.000) 0.250 95.196 ( 0.000 -3.736 0.000) 3.736 95.571 ( 0.000 2.227 0.000) 2.227 96.022 ( 0.000 0.209 0.000) 0.209 96.028 ( 0.000 4.158 0.000) 4.158 96.476 ( 0.000 2.261 0.000) 2.261 96.797 ( 0.000 5.811 0.000) 5.811 97.027 ( 0.000 -2.800 0.000) 2.800 99.385 ( 0.000 0.125 0.000) 0.125 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 6.207 41.691 7.925) 42.889 1.027 ( 32.365 17.761 14.823) 39.783 1.504 ( 23.459 51.982 1.698) 57.055 3.154 ( 7.428 1.555 -3.544) 8.376 3.341 ( -15.938 8.850 -7.532) 19.725 3.803 ( 2.432 8.194 -2.016) 8.782 3.896 ( 0.516 -1.050 2.603) 2.854 4.269 ( 2.214 -5.127 3.743) 6.723 4.359 ( 2.216 0.234 -2.554) 3.389 4.478 ( 2.432 -2.968 -1.064) 3.982 4.615 ( 6.056 -5.652 -1.921) 8.504 4.853 ( 0.756 -5.062 1.256) 5.270 4.965 ( 6.643 -4.471 -1.063) 8.078 5.092 ( 2.142 0.365 3.295) 3.947 5.220 ( -6.048 -1.799 -6.629) 9.152 5.244 ( -0.967 0.599 5.139) 5.264 5.400 ( 0.569 -2.454 4.551) 5.201 5.471 ( -0.844 -5.679 0.819) 5.800 5.608 ( -1.860 -6.024 6.203) 8.844 5.821 ( 0.327 -2.342 5.653) 6.128 5.977 ( -2.116 4.808 -3.458) 6.289 6.209 ( -7.197 -4.390 2.070) 8.681 6.238 ( -3.417 3.648 8.243) 9.640 6.644 ( 1.423 -2.695 -0.865) 3.168 6.713 ( -7.879 -10.045 -4.713) 13.608 6.833 ( 5.492 -5.743 -1.908) 8.172 6.962 ( 8.104 -1.593 -2.628) 8.667 7.035 ( 2.347 -4.564 -5.393) 7.445 7.131 ( 0.291 -1.793 -1.472) 2.338 7.416 ( -10.710 -2.001 -7.613) 13.292 7.563 ( 2.664 -2.247 0.683) 3.551 7.799 ( 7.622 2.661 0.467) 8.086 8.074 ( 11.812 4.941 5.068) 13.771 8.178 ( 8.558 1.620 6.442) 10.833 8.422 ( -1.989 -13.792 0.906) 13.964 8.736 ( 6.020 -15.617 -4.318) 17.285 9.203 ( -7.108 17.587 2.854) 19.182 9.294 ( -7.901 1.344 -1.079) 8.086 9.614 ( -7.465 4.941 0.840) 8.991 9.988 ( -9.391 8.184 2.276) 12.663 10.107 ( -8.607 -6.468 -1.047) 10.817 10.644 ( -14.743 20.989 2.517) 25.773 11.907 ( -6.663 -2.595 -1.023) 7.224 12.188 ( 1.304 8.932 -0.246) 9.030 12.263 ( 0.479 -0.501 1.827) 1.954 12.509 ( 5.527 3.887 1.389) 6.898 12.718 ( -0.213 4.347 -0.156) 4.355 12.979 ( -0.507 -5.157 -1.272) 5.336 13.154 ( 2.209 1.575 -2.392) 3.617 13.921 ( -4.972 0.622 -1.528) 5.238 15.606 ( 1.004 -0.633 1.279) 1.745 15.632 ( 3.633 -2.596 -0.901) 4.555 15.811 ( -0.954 1.091 -2.126) 2.573 15.967 ( 1.598 -2.455 1.935) 3.510 16.199 ( 0.050 -2.579 -0.941) 2.746 16.354 ( 2.208 -2.042 2.612) 3.984 16.471 ( 0.440 -6.385 -2.697) 6.945 16.627 ( -2.753 -2.617 -1.891) 4.244 16.825 ( 0.147 1.650 -1.726) 2.392 16.962 ( 0.306 2.788 -0.610) 2.871 17.078 ( -2.907 4.710 0.285) 5.542 17.407 ( 2.009 -0.822 2.380) 3.221 21.873 ( 0.662 -5.954 -0.859) 6.052 21.972 ( 0.815 -2.480 10.089) 10.421 22.101 ( -0.750 4.792 -1.622) 5.115 22.243 ( 0.934 1.520 0.301) 1.809 22.338 ( -0.215 -5.840 0.827) 5.903 22.508 ( 0.622 0.373 -0.125) 0.736 22.562 ( -1.246 5.384 -1.433) 5.709 22.756 ( -2.090 -1.867 -0.549) 2.856 23.015 ( -2.221 -2.559 -0.852) 3.494 23.129 ( 0.636 2.253 0.566) 2.409 23.433 ( 2.013 -1.610 1.711) 3.094 23.526 ( -0.204 -2.275 -0.463) 2.330 23.778 ( -0.130 3.617 -0.930) 3.737 23.934 ( 2.866 -1.930 2.724) 4.400 24.689 ( -0.295 -0.480 -0.831) 1.004 25.000 ( 2.213 -9.421 -5.643) 11.203 25.088 ( -1.981 -5.925 -1.448) 6.413 25.803 ( -0.906 4.255 -7.062) 8.294 25.910 ( 3.381 7.169 3.316) 8.592 26.315 ( -1.432 3.273 13.168) 13.644 26.569 ( 17.964 -3.663 -8.613) 20.256 27.433 ( 2.645 -1.362 -2.028) 3.601 27.638 ( 7.004 -0.058 -9.171) 11.540 27.697 ( 3.906 0.514 -4.438) 5.935 27.984 ( 5.235 -0.119 -1.873) 5.561 28.288 ( 3.695 -26.920 12.951) 30.101 28.475 ( 7.447 -15.586 9.705) 19.814 28.864 ( 8.571 -11.779 1.662) 14.661 28.956 ( -2.048 -9.732 2.492) 10.253 29.507 ( 1.922 17.074 6.174) 18.258 29.652 ( -0.072 4.774 -0.793) 4.840 29.773 ( -6.745 10.329 -4.561) 13.153 29.973 ( -1.395 1.173 3.066) 3.567 30.096 ( 0.177 2.625 3.467) 4.352 30.272 ( 3.147 -10.881 -0.589) 11.342 30.603 ( -6.569 -4.248 5.275) 9.435 31.081 ( 0.244 10.174 -13.571) 16.963 31.145 ( -6.349 7.352 2.419) 10.010 31.310 ( -13.416 8.831 3.171) 16.371 32.260 ( 0.818 -0.315 0.160) 0.892 32.776 ( -7.176 8.792 0.696) 11.370 32.801 ( 2.633 -2.720 0.790) 3.867 33.144 ( 3.529 11.853 -0.182) 12.369 34.180 ( -20.093 16.093 -2.851) 25.901 34.502 ( -2.950 -5.215 0.854) 6.052 34.764 ( -3.737 -9.787 -1.728) 10.618 35.017 ( 5.408 5.924 -1.530) 8.166 35.480 ( 0.083 5.873 -0.056) 5.874 36.410 ( 10.407 -5.390 0.958) 11.759 37.176 ( -12.571 8.682 -7.804) 17.155 37.456 ( 5.011 -3.513 -0.235) 6.124 37.776 ( -2.160 1.528 -1.510) 3.046 38.038 ( 1.222 2.833 10.355) 10.805 38.080 ( 2.113 2.392 0.895) 3.315 38.504 ( -5.674 -0.892 1.471) 5.929 38.765 ( -9.040 -3.741 -3.344) 10.339 38.969 ( -7.579 7.310 4.045) 11.280 39.105 ( -1.365 5.751 -7.519) 9.564 39.487 ( -1.920 -0.373 -0.984) 2.189 39.636 ( -1.583 0.749 0.496) 1.820 49.164 ( -0.189 -1.840 0.172) 1.857 49.335 ( 2.096 -3.019 -2.948) 4.711 49.463 ( -0.898 1.406 -0.621) 1.780 49.551 ( 1.464 1.915 -0.244) 2.424 86.583 ( 0.587 -0.911 -0.412) 1.160 86.668 ( -2.074 0.688 2.864) 3.602 86.815 ( 6.695 1.371 -4.312) 8.081 88.380 ( 61.255 -51.126 -27.759) 84.479 89.382 ( 0.403 -2.397 2.567) 3.535 89.438 ( 0.009 -3.141 4.410) 5.414 89.544 ( -0.421 -2.039 5.160) 5.564 89.606 ( 14.714 -23.019 34.103) 43.697 89.849 ( -1.759 2.427 -0.365) 3.020 90.617 ( 1.745 -15.272 -0.481) 15.379 91.450 ( 2.551 9.312 2.586) 9.995 91.962 ( -0.319 -12.361 -5.163) 13.400 92.186 ( -0.658 -5.492 10.031) 11.455 92.400 ( -12.559 11.053 -2.864) 16.974 92.816 ( -0.002 12.580 -27.833) 30.544 92.859 ( -11.397 13.356 24.928) 30.491 95.287 ( 6.863 -13.744 -3.709) 15.804 95.601 ( 2.495 1.170 2.063) 3.442 95.979 ( -0.080 3.044 -4.135) 5.135 96.107 ( 3.636 1.732 2.618) 4.804 96.455 ( -2.449 -0.014 1.743) 3.007 96.802 ( -0.222 5.616 2.914) 6.331 97.054 ( 2.821 -2.819 -0.160) 3.991 98.619 ( -47.362 46.873 -7.396) 67.045 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 11.290 35.351 9.046) 38.197 1.541 ( 20.139 33.778 5.964) 39.776 2.100 ( 30.931 15.705 10.104) 36.131 2.926 ( -18.652 11.760 -9.892) 24.167 3.367 ( 12.928 0.474 -4.297) 13.632 3.651 ( -9.123 10.393 -2.483) 14.050 4.089 ( 10.110 -0.997 2.716) 10.516 4.316 ( 1.308 -7.565 3.794) 8.564 4.400 ( 3.520 -4.479 -5.370) 7.829 4.509 ( 2.671 2.609 0.059) 3.734 4.735 ( 7.035 -1.194 -1.827) 7.366 4.877 ( -0.568 -7.324 5.456) 9.151 4.984 ( -9.802 -3.751 -0.628) 10.514 5.050 ( -0.675 -0.323 -4.097) 4.165 5.199 ( 3.512 -0.414 -1.812) 3.974 5.207 ( -6.319 -5.732 7.274) 11.211 5.393 ( -2.606 -0.035 0.904) 2.759 5.437 ( -2.670 3.740 -1.496) 4.833 5.657 ( 7.856 -0.240 -0.176) 7.861 5.822 ( -0.610 -3.105 0.867) 3.281 5.944 ( -0.916 -7.028 3.325) 7.828 6.075 ( -5.660 -0.462 6.655) 8.748 6.299 ( 3.654 4.616 5.460) 8.029 6.492 ( -11.081 -9.093 -7.310) 16.090 6.592 ( -4.775 1.882 -5.427) 7.470 6.886 ( 0.790 -2.139 -6.768) 7.142 7.003 ( -3.204 1.364 3.806) 5.158 7.112 ( 0.580 -0.035 -0.446) 0.732 7.174 ( 11.996 -5.222 -10.491) 16.770 7.261 ( -4.376 -1.355 -0.412) 4.600 7.685 ( 11.408 -11.205 0.342) 15.994 7.993 ( 10.037 -5.119 6.941) 13.234 8.306 ( 5.315 -5.596 1.671) 7.897 8.371 ( 9.374 -3.924 3.395) 10.714 8.439 ( 7.506 -1.529 3.526) 8.433 8.727 ( -3.914 -11.497 -6.903) 13.969 9.068 ( -10.596 6.244 0.586) 12.313 9.112 ( -7.998 7.266 -0.832) 10.838 9.464 ( -7.841 -1.695 1.142) 8.103 9.786 ( -12.018 11.619 1.290) 16.766 9.880 ( -15.177 -2.520 0.901) 15.411 10.513 ( -3.422 19.558 3.453) 20.153 11.835 ( -0.363 -1.620 -1.486) 2.228 12.108 ( -6.768 8.952 1.290) 11.296 12.352 ( 5.028 0.148 0.896) 5.109 12.576 ( 0.350 5.919 1.233) 6.056 12.755 ( 4.052 1.769 0.942) 4.520 12.954 ( -1.192 -3.030 -0.314) 3.271 13.158 ( -0.345 2.245 -2.301) 3.233 13.848 ( -2.698 -1.567 -0.872) 3.239 15.639 ( 1.455 -0.233 2.678) 3.057 15.708 ( 4.367 -2.734 -1.799) 5.457 15.784 ( -0.226 0.771 -3.038) 3.142 15.980 ( -0.817 -1.907 1.705) 2.685 16.205 ( 0.675 -2.125 -0.832) 2.380 16.418 ( 2.355 -2.908 2.448) 4.472 16.458 ( -0.389 -5.698 0.525) 5.736 16.574 ( -1.310 -5.987 -3.524) 7.070 16.803 ( -1.536 1.246 -2.023) 2.830 16.947 ( -1.468 3.313 -2.413) 4.354 17.057 ( 0.446 5.720 2.246) 6.161 17.454 ( 1.668 0.441 2.324) 2.894 21.887 ( 1.567 -5.274 -2.143) 5.904 21.999 ( -2.636 -3.237 7.837) 8.880 22.110 ( 2.473 4.182 -0.933) 4.947 22.244 ( -1.066 1.708 2.061) 2.881 22.359 ( 2.242 -4.253 -0.862) 4.884 22.504 ( -1.055 0.051 0.405) 1.132 22.548 ( 0.708 3.169 -1.364) 3.522 22.706 ( -3.140 -0.384 -0.595) 3.219 22.944 ( -3.525 -1.543 -1.126) 4.009 23.164 ( 2.059 3.867 0.968) 4.487 23.472 ( 1.102 -1.984 1.451) 2.694 23.536 ( 1.532 -3.333 -0.609) 3.718 23.780 ( 0.597 1.597 -1.283) 2.134 23.997 ( 1.973 -2.764 2.942) 4.493 24.679 ( -0.350 -0.336 -0.731) 0.878 24.925 ( -5.066 -8.573 -6.619) 11.957 25.066 ( -0.451 -5.490 0.558) 5.536 25.761 ( 0.444 6.623 -6.547) 9.324 25.978 ( 2.444 7.404 2.131) 8.083 26.366 ( -0.606 4.598 11.811) 12.689 26.918 ( 23.937 -5.116 -9.157) 26.134 27.479 ( 2.665 -2.001 -1.112) 3.513 27.687 ( 3.861 1.406 -6.483) 7.676 27.821 ( 9.404 -2.341 -3.698) 10.372 28.092 ( 4.912 -2.164 -1.240) 5.509 28.217 ( -8.983 -8.943 7.292) 14.623 28.602 ( 3.686 -13.122 4.564) 14.374 28.846 ( -9.075 -7.124 4.246) 12.294 29.056 ( 4.288 -18.375 0.201) 18.870 29.513 ( -5.776 8.439 5.524) 11.624 29.635 ( 1.408 13.755 -4.220) 14.456 29.733 ( 2.764 0.456 2.189) 3.555 29.957 ( -0.967 -2.237 2.451) 3.456 30.094 ( -2.388 3.274 3.494) 5.351 30.319 ( 2.139 -10.234 -1.801) 10.609 30.491 ( -9.389 -3.642 10.652) 14.659 30.858 ( -9.022 10.752 -15.552) 20.949 31.108 ( -1.470 10.179 -1.114) 10.345 31.224 ( -0.519 10.739 3.803) 11.405 32.258 ( -1.084 -8.098 -1.021) 8.234 32.654 ( -5.826 8.759 2.013) 10.711 32.849 ( 2.117 -0.940 0.873) 2.476 33.208 ( 3.431 17.423 -0.356) 17.761 33.948 ( -5.916 12.359 -1.672) 13.804 34.441 ( -4.032 -6.433 1.532) 7.746 34.676 ( -4.341 -7.183 -2.419) 8.735 35.075 ( 1.714 9.064 0.635) 9.247 35.488 ( 1.006 3.636 -0.885) 3.875 36.595 ( 9.165 -4.900 -0.247) 10.395 36.973 ( -6.723 9.606 -4.329) 12.499 37.581 ( 8.377 -3.899 -0.287) 9.244 37.754 ( -1.101 -0.311 2.134) 2.421 38.061 ( -4.428 2.347 4.308) 6.608 38.105 ( 2.033 2.894 0.256) 3.546 38.420 ( -4.031 -1.744 1.309) 4.583 38.632 ( -2.115 -0.503 1.758) 2.796 38.902 ( -3.811 0.776 -1.633) 4.218 39.098 ( 2.140 2.645 -3.516) 4.893 39.487 ( 0.743 -4.089 -0.213) 4.162 39.605 ( -1.698 0.602 0.503) 1.871 49.163 ( -0.003 -2.491 0.189) 2.499 49.349 ( 0.858 -2.669 -2.019) 3.455 49.447 ( -0.662 1.756 -0.324) 1.905 49.571 ( 0.853 2.353 -0.041) 2.503 86.597 ( 1.017 -1.381 -0.410) 1.764 86.683 ( 1.567 -0.168 2.551) 2.999 86.920 ( 6.173 1.703 -4.357) 7.745 88.819 ( 13.457 -14.514 -22.865) 30.241 89.384 ( -0.339 -1.311 0.410) 1.415 89.403 ( -2.508 -1.263 -0.237) 2.818 89.528 ( -1.276 0.001 0.147) 1.285 89.809 ( -2.125 1.513 -0.404) 2.640 90.176 ( 18.195 -51.295 32.146) 63.211 90.648 ( 1.958 -20.073 -2.538) 20.327 91.527 ( 4.256 12.240 2.737) 13.244 91.925 ( -3.334 -9.494 2.304) 10.323 92.123 ( -10.047 16.952 -14.372) 24.390 92.234 ( -1.299 -4.963 16.296) 17.085 92.665 ( -4.574 11.147 -10.950) 16.281 92.824 ( -2.509 13.240 5.044) 14.389 95.353 ( 2.379 -15.539 -2.973) 15.998 95.661 ( 2.476 -0.910 1.794) 3.190 95.977 ( 1.440 4.032 -3.118) 5.296 96.161 ( 1.449 5.712 -0.345) 5.903 96.416 ( -2.549 -5.816 2.664) 6.886 96.813 ( -0.333 5.085 4.021) 6.491 97.115 ( 3.432 -2.888 -0.250) 4.492 98.001 ( -19.559 43.222 -2.860) 47.528 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 8.144 30.779 5.266) 32.270 1.838 ( 8.719 37.351 1.021) 38.368 2.447 ( -0.423 8.683 4.161) 9.638 2.687 ( 0.178 0.387 -4.236) 4.257 3.552 ( 6.499 -0.275 -1.325) 6.638 3.567 ( 1.536 17.049 -1.523) 17.186 4.203 ( 1.563 -0.887 2.691) 3.236 4.323 ( -1.289 -8.613 0.325) 8.715 4.456 ( 4.138 -3.160 -2.064) 5.601 4.578 ( 2.318 2.885 -1.009) 3.836 4.744 ( -10.583 -6.657 -1.566) 12.600 4.811 ( 6.249 -4.631 -5.333) 9.431 4.918 ( -3.490 2.936 6.959) 8.321 5.009 ( -1.065 6.368 2.398) 6.887 5.145 ( -1.188 -9.944 3.457) 10.594 5.256 ( 3.255 -4.930 -2.403) 6.378 5.320 ( -4.672 8.383 -4.406) 10.560 5.369 ( -2.895 0.534 1.971) 3.543 5.815 ( 4.024 1.291 1.974) 4.664 5.841 ( 3.859 -2.268 -4.570) 6.397 5.946 ( -1.547 -10.450 4.622) 11.531 6.088 ( 4.793 -4.860 4.884) 8.393 6.266 ( -10.140 -7.482 -5.276) 13.661 6.400 ( 2.970 3.112 2.165) 4.816 6.501 ( -0.909 7.813 0.943) 7.922 6.778 ( -5.337 5.496 -9.854) 12.482 6.998 ( 0.050 2.560 3.047) 3.980 7.120 ( 0.056 -1.741 -0.059) 1.743 7.202 ( -0.089 -2.230 -2.013) 3.006 7.307 ( 3.303 -5.766 -0.926) 6.709 7.967 ( 16.923 -17.173 0.291) 24.112 8.189 ( 6.931 -10.791 4.664) 13.647 8.288 ( -5.356 -15.492 2.972) 16.659 8.403 ( -8.844 -9.625 -2.374) 13.285 8.640 ( 5.697 6.564 5.945) 10.530 8.687 ( 6.175 -8.904 -6.905) 12.849 8.886 ( -5.236 5.585 -3.865) 8.576 9.015 ( -2.147 10.107 3.713) 10.980 9.343 ( -6.003 3.448 -2.756) 7.451 9.609 ( -7.471 8.445 7.559) 13.574 9.639 ( -7.250 -4.709 -4.318) 9.663 10.495 ( -0.543 19.226 1.383) 19.283 11.872 ( 4.715 1.365 -1.652) 5.179 11.984 ( -7.041 5.508 1.650) 9.090 12.427 ( 2.485 1.968 0.068) 3.171 12.562 ( -1.293 7.051 0.634) 7.197 12.831 ( 2.564 0.568 0.792) 2.743 12.940 ( -0.240 -1.682 0.027) 1.700 13.135 ( -0.776 3.053 -1.026) 3.313 13.810 ( -1.017 -3.032 -0.358) 3.218 15.680 ( 1.288 -0.165 4.008) 4.213 15.720 ( -0.674 -0.586 -4.535) 4.622 15.811 ( 2.599 -1.298 -0.623) 2.971 15.963 ( -1.278 -1.866 0.865) 2.421 16.211 ( 0.247 -2.156 -0.262) 2.186 16.419 ( -0.685 -4.855 -0.317) 4.913 16.491 ( 0.760 -5.126 2.778) 5.879 16.559 ( 1.064 -6.889 -2.160) 7.298 16.757 ( -1.826 3.655 -1.504) 4.354 16.915 ( -0.791 1.545 -0.528) 1.815 17.084 ( 0.889 6.358 0.739) 6.463 17.483 ( 0.605 1.109 0.943) 1.576 21.905 ( 1.169 -5.700 -2.037) 6.165 21.978 ( -1.861 -3.100 3.594) 5.098 22.154 ( 2.275 4.703 -0.922) 5.305 22.222 ( -2.148 2.725 1.772) 3.896 22.414 ( 3.673 -4.176 -0.504) 5.584 22.480 ( -2.241 -2.993 1.008) 3.872 22.570 ( 2.571 2.608 -1.565) 3.983 22.635 ( -4.058 1.380 0.103) 4.287 22.902 ( -0.801 -0.265 -0.331) 0.906 23.197 ( 0.938 4.523 0.505) 4.647 23.489 ( 0.321 -2.122 0.489) 2.201 23.560 ( 0.871 -3.555 -0.216) 3.667 23.782 ( 0.191 0.172 -0.695) 0.741 24.028 ( 0.414 -3.281 1.227) 3.527 24.671 ( -0.151 -0.125 -0.329) 0.383 24.822 ( -2.710 -7.764 -2.500) 8.595 25.063 ( -0.173 -5.872 0.232) 5.879 25.758 ( 1.032 8.743 -2.720) 9.214 26.013 ( 0.625 6.324 0.941) 6.424 26.389 ( -0.765 4.897 4.431) 6.648 27.325 ( 23.265 -7.454 -9.855) 26.343 27.507 ( -0.766 -3.017 4.113) 5.158 27.685 ( -4.848 -1.904 -2.337) 5.709 27.857 ( -6.472 -0.128 1.929) 6.755 28.077 ( 2.282 -6.757 1.229) 7.237 28.285 ( 9.313 3.574 -0.503) 9.988 28.638 ( -12.851 -5.586 0.793) 14.035 28.721 ( 7.335 -9.222 1.082) 11.833 29.020 ( -6.638 -14.402 1.292) 15.911 29.438 ( -2.172 5.608 0.573) 6.041 29.710 ( 4.757 11.013 1.329) 12.070 29.767 ( 0.318 1.852 -0.116) 1.882 29.958 ( -0.113 -3.207 1.071) 3.383 30.069 ( -1.014 4.974 1.579) 5.316 30.334 ( 0.676 -11.449 -2.171) 11.673 30.358 ( -7.412 5.111 4.544) 10.085 30.712 ( -1.688 -2.407 -5.694) 6.408 31.077 ( -1.077 12.146 0.042) 12.194 31.248 ( 0.942 12.520 0.625) 12.571 32.226 ( -1.196 -14.822 -0.791) 14.891 32.592 ( -1.842 9.328 1.121) 9.574 32.882 ( 0.854 0.682 0.500) 1.201 33.259 ( 1.767 21.270 -0.114) 21.343 33.887 ( -1.110 7.021 -0.565) 7.131 34.384 ( -2.142 -8.558 0.854) 8.863 34.606 ( -1.805 -3.769 -1.363) 4.396 35.095 ( 0.310 10.063 0.597) 10.086 35.503 ( 0.652 2.011 -0.490) 2.170 36.740 ( 6.673 -1.663 -0.028) 6.878 36.857 ( -5.128 5.854 -1.560) 7.937 37.738 ( 4.202 -2.655 0.165) 4.974 37.755 ( 4.209 -1.069 0.961) 4.448 37.941 ( -8.135 -2.528 0.439) 8.530 38.149 ( 1.695 4.176 0.251) 4.514 38.363 ( -2.197 -1.919 0.522) 2.963 38.682 ( 4.656 -0.315 3.796) 6.016 38.799 ( -5.654 0.260 -3.228) 6.515 39.123 ( 1.306 0.995 -1.402) 2.159 39.493 ( -0.059 -4.471 0.174) 4.475 39.587 ( -0.414 -0.055 0.105) 0.431 49.164 ( 0.012 -2.862 0.083) 2.864 49.352 ( 0.240 -2.314 -0.702) 2.431 49.437 ( -0.242 1.978 -0.085) 1.995 49.582 ( 0.283 2.454 0.028) 2.470 86.611 ( 0.483 -1.569 -0.190) 1.652 86.724 ( 1.227 -0.684 1.262) 1.889 86.985 ( 2.312 2.375 -2.100) 3.924 88.886 ( 2.984 -6.339 -6.731) 9.716 89.362 ( -1.065 -1.188 -0.266) 1.618 89.385 ( -0.196 -1.081 0.388) 1.166 89.509 ( -0.618 -0.068 -0.038) 0.623 89.778 ( -0.929 0.865 -0.179) 1.282 90.506 ( 6.719 -34.813 15.173) 38.566 90.646 ( -0.323 -32.700 -6.367) 33.316 91.632 ( 6.345 17.601 0.439) 18.715 91.811 ( -10.311 11.582 5.939) 16.606 91.980 ( 0.343 -6.093 -9.492) 11.285 92.290 ( 0.454 -5.720 8.027) 9.867 92.554 ( -2.534 12.552 -5.957) 14.123 92.807 ( -0.776 11.695 1.166) 11.779 95.366 ( 0.469 -14.671 -1.006) 14.713 95.698 ( 0.895 -1.657 0.733) 2.021 95.991 ( 0.946 5.414 -1.285) 5.644 96.166 ( -0.096 9.756 -0.623) 9.777 96.394 ( -0.919 -10.387 1.313) 10.510 96.823 ( -0.161 4.577 1.910) 4.962 97.163 ( 1.575 -2.895 -0.120) 3.298 97.780 ( -5.156 34.450 -0.919) 34.846 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 33.566 0.000) 33.566 1.732 ( 0.000 41.042 0.000) 41.042 2.516 ( 0.000 59.269 0.000) 59.269 3.171 ( 0.000 6.289 0.000) 6.289 3.616 ( 0.000 -10.633 0.000) 10.633 3.674 ( 0.000 6.836 0.000) 6.836 4.098 ( 0.000 3.273 0.000) 3.273 4.154 ( 0.000 3.195 0.000) 3.195 4.244 ( 0.000 -12.668 0.000) 12.668 4.462 ( 0.000 -0.475 0.000) 0.475 4.547 ( 0.000 5.808 0.000) 5.808 4.654 ( 0.000 -10.669 0.000) 10.669 4.774 ( 0.000 -8.954 0.000) 8.954 5.032 ( 0.000 -9.868 0.000) 9.868 5.106 ( 0.000 -2.911 0.000) 2.911 5.230 ( 0.000 6.246 0.000) 6.246 5.293 ( 0.000 -1.394 0.000) 1.394 5.536 ( 0.000 -0.098 0.000) 0.098 5.709 ( 0.000 4.598 0.000) 4.598 5.900 ( 0.000 15.391 0.000) 15.391 6.054 ( 0.000 -5.022 0.000) 5.022 6.123 ( 0.000 -10.646 0.000) 10.646 6.265 ( 0.000 -3.371 0.000) 3.371 6.422 ( 0.000 -6.455 0.000) 6.455 6.546 ( 0.000 -12.721 0.000) 12.721 6.785 ( 0.000 -16.927 0.000) 16.927 6.806 ( 0.000 -2.147 0.000) 2.147 6.905 ( 0.000 -1.961 0.000) 1.961 6.987 ( 0.000 -4.183 0.000) 4.183 7.504 ( 0.000 0.406 0.000) 0.406 7.664 ( 0.000 -0.632 0.000) 0.632 7.669 ( 0.000 -1.934 0.000) 1.934 8.055 ( 0.000 1.539 0.000) 1.539 8.214 ( 0.000 11.045 0.000) 11.045 8.217 ( 0.000 -6.308 0.000) 6.308 8.385 ( 0.000 -12.166 0.000) 12.166 9.531 ( 0.000 11.815 0.000) 11.815 9.588 ( 0.000 6.606 0.000) 6.606 9.743 ( 0.000 -0.200 0.000) 0.200 9.970 ( 0.000 -4.868 0.000) 4.868 10.264 ( 0.000 10.840 0.000) 10.840 10.958 ( 0.000 1.842 0.000) 1.842 12.013 ( 0.000 -1.117 0.000) 1.117 12.104 ( 0.000 1.442 0.000) 1.442 12.390 ( 0.000 2.737 0.000) 2.737 12.518 ( 0.000 4.080 0.000) 4.080 12.873 ( 0.000 -4.690 0.000) 4.690 12.877 ( 0.000 9.139 0.000) 9.139 13.198 ( 0.000 4.155 0.000) 4.155 13.941 ( 0.000 -4.305 0.000) 4.305 15.544 ( 0.000 -2.838 0.000) 2.838 15.577 ( 0.000 -0.790 0.000) 0.790 15.843 ( 0.000 0.379 0.000) 0.379 15.911 ( 0.000 -0.740 0.000) 0.740 16.086 ( 0.000 -7.161 0.000) 7.161 16.247 ( 0.000 -6.789 0.000) 6.789 16.391 ( 0.000 -1.314 0.000) 1.314 16.652 ( 0.000 -0.938 0.000) 0.938 16.868 ( 0.000 1.360 0.000) 1.360 17.012 ( 0.000 3.532 0.000) 3.532 17.175 ( 0.000 2.481 0.000) 2.481 17.349 ( 0.000 -0.792 0.000) 0.792 21.751 ( 0.000 -5.501 0.000) 5.501 21.912 ( 0.000 -0.036 0.000) 0.036 22.208 ( 0.000 3.786 0.000) 3.786 22.217 ( 0.000 -5.471 0.000) 5.471 22.255 ( 0.000 0.038 0.000) 0.038 22.490 ( 0.000 -1.220 0.000) 1.220 22.691 ( 0.000 5.790 0.000) 5.790 22.737 ( 0.000 -2.017 0.000) 2.017 22.991 ( 0.000 -1.424 0.000) 1.424 23.135 ( 0.000 -0.074 0.000) 0.074 23.392 ( 0.000 -0.676 0.000) 0.676 23.491 ( 0.000 -2.629 0.000) 2.629 23.850 ( 0.000 -2.604 0.000) 2.604 23.890 ( 0.000 5.479 0.000) 5.479 24.684 ( 0.000 -0.647 0.000) 0.647 24.860 ( 0.000 -3.746 0.000) 3.746 24.982 ( 0.000 -6.269 0.000) 6.269 25.869 ( 0.000 -0.708 0.000) 0.708 26.010 ( 0.000 8.573 0.000) 8.573 26.357 ( 0.000 -0.365 0.000) 0.365 26.367 ( 0.000 4.311 0.000) 4.311 27.394 ( 0.000 -1.157 0.000) 1.157 27.564 ( 0.000 0.812 0.000) 0.812 27.635 ( 0.000 -5.166 0.000) 5.166 27.816 ( 0.000 -11.601 0.000) 11.601 28.013 ( 0.000 4.943 0.000) 4.943 28.226 ( 0.000 -4.722 0.000) 4.722 28.642 ( 0.000 -4.691 0.000) 4.691 28.862 ( 0.000 -4.862 0.000) 4.862 29.723 ( 0.000 -7.194 0.000) 7.194 29.753 ( 0.000 -1.140 0.000) 1.140 29.947 ( 0.000 8.406 0.000) 8.406 29.956 ( 0.000 -2.907 0.000) 2.907 30.207 ( 0.000 15.962 0.000) 15.962 30.330 ( 0.000 15.544 0.000) 15.544 30.658 ( 0.000 3.307 0.000) 3.307 31.251 ( 0.000 6.582 0.000) 6.582 31.257 ( 0.000 1.393 0.000) 1.393 31.383 ( 0.000 -7.933 0.000) 7.933 32.300 ( 0.000 2.772 0.000) 2.772 32.740 ( 0.000 0.098 0.000) 0.098 33.122 ( 0.000 15.476 0.000) 15.476 33.311 ( 0.000 11.687 0.000) 11.687 34.333 ( 0.000 -14.688 0.000) 14.688 34.354 ( 0.000 -9.095 0.000) 9.095 34.757 ( 0.000 -0.059 0.000) 0.059 35.007 ( 0.000 5.733 0.000) 5.733 35.567 ( 0.000 1.511 0.000) 1.511 36.317 ( 0.000 2.987 0.000) 2.987 37.252 ( 0.000 -5.410 0.000) 5.410 37.311 ( 0.000 -6.325 0.000) 6.325 37.920 ( 0.000 0.094 0.000) 0.094 37.974 ( 0.000 4.847 0.000) 4.847 38.100 ( 0.000 1.423 0.000) 1.423 38.565 ( 0.000 0.702 0.000) 0.702 38.660 ( 0.000 -8.034 0.000) 8.034 39.098 ( 0.000 0.714 0.000) 0.714 39.132 ( 0.000 -6.812 0.000) 6.812 39.625 ( 0.000 0.549 0.000) 0.549 39.684 ( 0.000 0.695 0.000) 0.695 49.136 ( 0.000 -1.720 0.000) 1.720 49.280 ( 0.000 -1.297 0.000) 1.297 49.499 ( 0.000 1.011 0.000) 1.011 49.568 ( 0.000 1.997 0.000) 1.997 86.571 ( 0.000 -0.590 0.000) 0.590 86.741 ( 0.000 1.649 0.000) 1.649 86.821 ( 0.000 -0.075 0.000) 0.075 87.108 ( 0.000 -4.721 0.000) 4.721 89.304 ( 0.000 0.149 0.000) 0.149 89.399 ( 0.000 0.017 0.000) 0.017 89.448 ( 0.000 -2.568 0.000) 2.568 89.576 ( 0.000 1.357 0.000) 1.357 89.932 ( 0.000 3.413 0.000) 3.413 90.304 ( 0.000 -14.999 0.000) 14.999 91.570 ( 0.000 5.993 0.000) 5.993 91.767 ( 0.000 -8.349 0.000) 8.349 92.038 ( 0.000 -6.588 0.000) 6.588 92.591 ( 0.000 2.895 0.000) 2.895 93.002 ( 0.000 0.468 0.000) 0.468 93.160 ( 0.000 14.320 0.000) 14.320 95.119 ( 0.000 -3.573 0.000) 3.573 95.623 ( 0.000 2.835 0.000) 2.835 96.011 ( 0.000 -1.312 0.000) 1.312 96.134 ( 0.000 6.318 0.000) 6.318 96.540 ( 0.000 3.907 0.000) 3.907 96.935 ( 0.000 7.624 0.000) 7.624 96.954 ( 0.000 -4.394 0.000) 4.394 99.388 ( 0.000 0.163 0.000) 0.163 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 25.901 25.191 12.645) 38.280 1.779 ( 4.184 40.369 3.927) 40.775 2.598 ( 7.928 54.346 0.126) 54.921 3.217 ( 5.629 5.502 -1.802) 8.074 3.554 ( -7.817 11.296 -7.290) 15.551 3.800 ( 12.709 -8.351 5.891) 16.308 3.955 ( -11.589 -1.671 -0.590) 11.724 4.151 ( 0.092 3.528 -0.620) 3.584 4.248 ( 1.718 -9.255 -0.639) 9.435 4.454 ( 0.381 -6.290 -6.825) 9.289 4.587 ( 2.903 0.421 -0.997) 3.098 4.703 ( 2.514 -5.456 7.079) 9.284 4.827 ( 4.994 -8.830 -0.409) 10.152 5.027 ( 0.430 -7.178 0.616) 7.217 5.105 ( 1.217 -1.895 -3.835) 4.448 5.261 ( -0.203 2.887 3.983) 4.924 5.377 ( 5.210 1.671 5.468) 7.735 5.473 ( -3.777 -4.070 0.633) 5.589 5.707 ( -0.031 8.418 -2.290) 8.724 5.853 ( -4.663 9.784 -0.539) 10.851 5.925 ( -5.212 -5.371 -6.828) 10.131 6.145 ( -2.040 -3.206 1.354) 4.034 6.262 ( 0.794 -3.199 -0.935) 3.427 6.483 ( -0.800 -13.265 4.680) 14.090 6.537 ( 0.819 -6.611 0.471) 6.678 6.778 ( 0.185 -4.037 -3.419) 5.293 6.835 ( 5.561 -11.802 -5.423) 14.128 6.936 ( 3.509 -2.639 2.078) 4.857 7.041 ( 4.973 -5.888 -1.442) 7.841 7.415 ( -12.976 2.672 2.603) 13.501 7.532 ( 1.042 -1.054 1.166) 1.886 7.883 ( 10.255 -6.682 -2.401) 12.473 8.006 ( -2.787 4.199 0.035) 5.040 8.203 ( -0.006 -8.564 0.498) 8.579 8.330 ( 8.315 8.950 5.581) 13.431 8.442 ( 5.426 -12.867 -4.371) 14.632 9.412 ( -10.875 8.539 -2.011) 13.972 9.486 ( -9.333 8.725 -2.963) 13.115 9.612 ( -12.434 -3.016 4.228) 13.475 9.971 ( -3.301 -4.152 1.074) 5.412 10.200 ( -6.907 11.088 0.512) 13.073 10.903 ( -4.933 8.140 2.900) 9.950 11.907 ( -5.142 2.254 -1.147) 5.731 12.210 ( 4.992 -2.411 0.600) 5.576 12.387 ( -0.479 8.378 0.867) 8.436 12.573 ( 5.727 1.534 0.608) 5.960 12.855 ( -1.518 8.719 -1.451) 8.968 12.882 ( 0.695 -3.610 0.086) 3.677 13.205 ( 0.292 3.214 0.675) 3.297 13.886 ( -4.762 -3.681 -1.264) 6.150 15.572 ( 2.979 -2.528 -0.027) 3.908 15.598 ( 2.142 -0.756 0.121) 2.274 15.826 ( -1.103 0.376 -2.138) 2.435 15.928 ( 0.728 -1.638 1.820) 2.555 16.097 ( 1.216 -6.843 -0.427) 6.963 16.263 ( 1.145 -7.758 1.664) 8.016 16.389 ( -0.213 -0.844 0.187) 0.890 16.585 ( -5.367 -1.888 -2.355) 6.158 16.854 ( -1.051 0.996 -1.491) 2.078 17.032 ( 1.752 4.135 -0.974) 4.595 17.154 ( -1.695 3.007 0.541) 3.494 17.394 ( 3.346 -0.207 2.658) 4.278 21.763 ( 1.398 -5.045 -0.292) 5.243 21.939 ( 0.529 -0.805 5.279) 5.366 22.161 ( -2.993 0.048 0.123) 2.996 22.233 ( 1.291 -3.299 -0.074) 3.543 22.270 ( 1.536 0.829 -0.578) 1.839 22.513 ( 1.134 0.074 0.556) 1.265 22.656 ( -3.078 2.760 -2.901) 5.051 22.722 ( -0.769 0.110 0.715) 1.056 22.978 ( -1.841 -1.433 -1.378) 2.710 23.161 ( 3.044 0.995 -0.022) 3.202 23.401 ( 1.193 -1.530 -0.603) 2.032 23.483 ( -0.802 -1.967 0.920) 2.315 23.840 ( -0.995 0.895 0.130) 1.344 23.903 ( 1.027 0.597 1.170) 1.668 24.679 ( -0.222 -0.519 -0.852) 1.022 24.851 ( -1.272 -5.912 -3.524) 6.999 24.968 ( -1.453 -6.003 0.604) 6.206 25.863 ( 1.440 1.287 -6.124) 6.421 26.065 ( 3.656 8.386 4.891) 10.374 26.395 ( 1.342 3.449 11.336) 11.924 26.508 ( 15.711 -0.308 -8.496) 17.864 27.402 ( 1.747 -1.615 -2.836) 3.702 27.637 ( 6.478 -1.750 -4.513) 8.087 27.664 ( 3.490 -3.325 0.911) 4.905 27.839 ( 0.914 -14.277 5.148) 15.204 28.068 ( 5.864 3.627 -1.218) 7.002 28.273 ( 3.545 -6.733 4.853) 9.025 28.681 ( 4.853 -6.055 -2.002) 8.014 28.829 ( -4.966 -4.519 4.810) 8.260 29.707 ( -1.698 -7.874 1.628) 8.218 29.745 ( -0.495 -0.070 -4.135) 4.165 29.870 ( -5.561 1.539 4.183) 7.127 29.987 ( 1.181 7.519 -6.555) 10.045 30.167 ( -4.241 10.098 6.367) 12.669 30.323 ( -1.599 12.375 1.510) 12.569 30.596 ( -6.216 3.488 -0.236) 7.132 31.232 ( -1.987 4.825 -10.088) 11.358 31.261 ( -0.031 4.500 2.133) 4.980 31.342 ( -2.332 -2.114 3.054) 4.385 32.264 ( -3.980 0.970 -0.783) 4.171 32.762 ( 1.672 -0.456 2.595) 3.121 33.029 ( -7.399 15.026 0.516) 16.757 33.388 ( 6.125 12.170 -0.319) 13.628 34.235 ( -7.466 -5.390 0.557) 9.225 34.346 ( -2.956 -11.193 1.541) 11.679 34.685 ( -3.647 2.358 -3.882) 5.825 35.112 ( 8.108 3.613 -2.427) 9.202 35.556 ( -1.343 1.304 1.030) 2.136 36.378 ( 6.088 0.936 0.949) 6.232 37.212 ( -3.639 -1.446 -1.575) 4.221 37.355 ( 4.617 -6.586 0.070) 8.043 37.817 ( -4.147 2.440 -2.864) 5.599 38.103 ( 3.881 2.983 5.625) 7.456 38.116 ( 3.028 1.162 1.181) 3.452 38.502 ( -6.498 0.973 1.185) 6.676 38.620 ( -4.071 -8.168 -2.279) 9.406 39.053 ( -5.126 1.117 4.026) 6.613 39.135 ( 1.209 -2.104 -5.947) 6.423 39.510 ( -8.327 2.048 -2.714) 8.994 39.648 ( -2.239 0.386 0.273) 2.288 49.126 ( -0.870 -1.892 0.185) 2.091 49.289 ( 0.932 -1.752 -0.854) 2.160 49.492 ( -0.557 1.345 -0.086) 1.458 49.588 ( 1.722 1.796 -0.267) 2.502 86.569 ( 0.227 -0.511 -0.708) 0.902 86.679 ( -3.196 0.448 2.040) 3.818 86.855 ( 6.877 2.854 -3.007) 8.030 87.658 ( 43.129 -24.323 -0.034) 49.515 89.330 ( 0.667 -1.491 6.123) 6.337 89.407 ( -0.494 -0.736 2.688) 2.831 89.437 ( -0.687 -3.058 4.720) 5.666 89.567 ( -0.813 1.074 -0.411) 1.409 89.903 ( -2.869 2.689 -0.068) 3.933 90.308 ( 0.815 -15.035 -3.006) 15.355 91.613 ( 3.575 6.195 4.116) 8.252 91.751 ( 0.308 -8.080 -6.992) 10.690 92.062 ( -0.110 -6.302 10.426) 12.183 92.528 ( -5.666 4.245 -4.433) 8.353 92.951 ( -4.780 3.270 -0.875) 5.858 93.133 ( -2.172 13.345 -2.176) 13.695 95.123 ( 0.736 -5.114 -1.396) 5.352 95.638 ( 0.846 2.229 2.270) 3.292 96.010 ( 0.338 -0.551 -0.775) 1.009 96.162 ( 2.224 4.710 1.398) 5.393 96.518 ( -1.776 4.847 -1.904) 5.502 96.929 ( -1.436 5.443 4.708) 7.338 96.987 ( 3.679 -2.542 -2.713) 5.230 99.112 ( -23.918 12.261 -4.861) 27.314 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 8.657 35.566 8.382) 37.551 1.997 ( 25.483 20.786 10.649) 34.566 2.730 ( 3.592 37.622 -0.921) 37.804 3.246 ( -11.271 20.851 -6.801) 24.659 3.413 ( 6.042 4.975 -2.696) 8.278 3.806 ( -0.967 1.025 -1.879) 2.349 4.065 ( 9.590 -8.851 7.188) 14.899 4.153 ( 0.476 1.951 0.563) 2.086 4.294 ( 2.543 -7.402 0.175) 7.828 4.441 ( 3.328 -13.381 -8.819) 16.367 4.583 ( -0.729 -2.041 -1.873) 2.864 4.818 ( -0.361 -6.258 6.284) 8.876 4.905 ( 6.630 -2.323 3.736) 7.957 5.073 ( 3.568 1.390 -2.617) 4.638 5.112 ( 1.110 -3.131 -4.665) 5.727 5.164 ( -8.943 -1.641 4.414) 10.107 5.408 ( -1.238 -1.861 -2.774) 3.563 5.524 ( 3.024 2.428 1.453) 4.142 5.720 ( 3.107 4.051 5.271) 7.338 5.760 ( -2.969 7.537 -3.506) 8.827 5.881 ( 1.995 0.381 -3.922) 4.417 6.071 ( -6.005 -0.207 2.011) 6.336 6.285 ( -0.934 -5.901 0.171) 5.977 6.353 ( -5.672 -7.673 -0.407) 9.551 6.590 ( -0.245 -3.145 -0.550) 3.202 6.794 ( 2.903 -4.445 -3.794) 6.525 6.938 ( 7.066 -8.747 -3.176) 11.685 7.049 ( 8.155 -7.188 -3.122) 11.310 7.121 ( 3.800 -3.105 -0.929) 4.995 7.225 ( -8.461 3.066 4.830) 10.214 7.562 ( 1.686 -3.916 2.555) 4.971 7.973 ( 0.028 -19.637 -1.112) 19.668 7.981 ( -0.653 3.853 1.958) 4.371 8.255 ( 3.922 -8.231 0.957) 9.168 8.464 ( 1.889 -10.428 -8.024) 13.293 8.557 ( 11.122 5.797 5.431) 13.667 9.183 ( -10.745 6.138 -4.283) 13.095 9.293 ( -10.304 5.745 1.157) 11.854 9.387 ( -11.501 -3.361 2.837) 12.314 9.814 ( -14.075 -4.092 2.030) 14.798 10.044 ( -9.077 12.807 0.270) 15.700 10.852 ( -1.977 14.270 3.122) 14.740 11.865 ( 1.340 4.125 -1.420) 4.564 12.211 ( -5.324 1.109 2.241) 5.882 12.425 ( 4.479 7.443 -0.590) 8.706 12.694 ( 5.620 2.836 0.882) 6.357 12.824 ( -0.873 7.512 -0.437) 7.575 12.898 ( 1.071 -2.193 -0.090) 2.442 13.205 ( -0.589 2.447 0.422) 2.552 13.788 ( -4.676 -4.617 -1.212) 6.682 15.632 ( 2.370 -0.441 2.052) 3.166 15.657 ( 4.497 -2.117 -1.402) 5.164 15.792 ( -0.910 0.089 -3.114) 3.245 15.937 ( -0.980 -2.239 2.398) 3.424 16.117 ( 1.057 -6.223 -0.750) 6.357 16.292 ( 0.716 -9.899 1.235) 10.001 16.387 ( -0.272 -0.557 1.368) 1.502 16.487 ( -2.994 -2.792 -2.512) 4.802 16.824 ( -1.294 0.611 -1.222) 1.882 17.024 ( -1.826 4.011 -2.960) 5.309 17.157 ( 1.572 4.295 1.717) 4.885 17.467 ( 2.743 0.949 2.712) 3.973 21.793 ( 1.948 -4.228 -1.593) 4.920 21.938 ( -3.309 -2.542 6.200) 7.473 22.159 ( 2.412 -0.318 1.323) 2.770 22.252 ( 0.703 -0.218 1.378) 1.562 22.306 ( 2.684 -0.961 -2.609) 3.864 22.492 ( -3.590 -0.641 0.122) 3.649 22.605 ( -0.498 1.209 -1.907) 2.312 22.707 ( -1.536 1.518 -0.314) 2.182 22.928 ( -1.832 -0.332 -1.313) 2.278 23.231 ( 3.864 2.600 0.487) 4.683 23.426 ( 1.400 -2.535 0.014) 2.896 23.479 ( 0.025 -1.979 0.479) 2.037 23.816 ( -1.258 1.818 -1.468) 2.654 23.927 ( 0.484 -3.866 2.333) 4.541 24.671 ( 0.014 -0.389 -1.300) 1.357 24.768 ( -5.072 -6.820 -3.834) 9.324 24.946 ( -1.136 -6.176 0.773) 6.327 25.882 ( 3.707 5.119 -6.048) 8.748 26.145 ( 2.212 9.065 3.653) 10.021 26.466 ( 0.577 4.524 8.873) 9.976 26.826 ( 21.583 -2.780 -6.900) 22.829 27.432 ( 1.898 -2.452 -0.588) 3.156 27.695 ( 0.537 -4.542 -3.507) 5.763 27.751 ( 5.902 -3.634 -2.691) 7.435 27.885 ( 1.208 -10.397 7.477) 12.863 28.194 ( 7.872 2.212 -2.678) 8.605 28.386 ( 7.057 -7.854 3.087) 11.001 28.712 ( -9.354 -5.044 5.341) 11.894 28.786 ( 4.363 -8.967 -0.448) 9.982 29.652 ( -4.674 -0.611 -4.365) 6.425 29.708 ( -1.061 -6.596 0.494) 6.699 29.820 ( -0.986 2.790 2.285) 3.739 29.958 ( -1.523 9.669 1.887) 9.969 30.142 ( -1.062 0.312 1.408) 1.791 30.278 ( -4.271 5.791 3.064) 7.821 30.456 ( -8.561 3.066 1.522) 9.220 31.074 ( -7.255 9.750 -11.804) 16.942 31.269 ( -0.397 5.919 3.345) 6.810 31.380 ( 4.169 5.667 0.292) 7.042 32.145 ( -7.923 -3.003 -1.467) 8.599 32.816 ( 1.844 -0.318 4.506) 4.879 32.912 ( -4.885 13.886 0.163) 14.721 33.497 ( 5.640 11.369 -0.497) 12.701 34.119 ( -4.781 4.625 0.528) 6.673 34.272 ( -5.094 -10.498 0.957) 11.708 34.621 ( -1.537 3.144 -3.852) 5.205 35.221 ( 4.712 4.932 -1.919) 7.086 35.534 ( -1.404 0.329 0.871) 1.685 36.527 ( 8.790 -2.146 0.739) 9.078 37.119 ( -5.131 5.243 -1.724) 7.536 37.475 ( 8.180 -6.550 0.686) 10.501 37.759 ( -1.731 1.034 -0.270) 2.035 38.124 ( -8.319 3.169 2.124) 9.152 38.156 ( 3.233 2.179 0.119) 3.900 38.393 ( -3.835 -0.844 1.128) 4.086 38.553 ( -0.538 -5.899 1.018) 6.010 38.961 ( -5.319 3.723 -1.069) 6.580 39.133 ( 1.105 0.564 -2.918) 3.170 39.411 ( -1.939 -3.144 -0.888) 3.799 39.604 ( -2.528 -0.644 0.259) 2.621 49.112 ( -0.630 -2.466 0.185) 2.552 49.301 ( 0.730 -2.031 -0.885) 2.333 49.482 ( -0.457 1.678 0.068) 1.741 49.616 ( 1.291 2.013 -0.315) 2.412 86.575 ( 0.693 -0.730 -0.646) 1.196 86.675 ( 0.982 -0.661 1.532) 1.936 86.979 ( 7.118 4.683 -2.670) 8.929 88.339 ( 28.897 -30.772 -8.465) 43.053 89.351 ( -0.305 -1.730 0.882) 1.966 89.375 ( -2.084 -1.578 0.319) 2.633 89.517 ( 0.007 -2.971 6.260) 6.930 89.588 ( 4.952 -10.114 15.386) 19.067 89.844 ( -2.980 1.631 -0.332) 3.413 90.289 ( -0.873 -15.718 -6.464) 17.018 91.721 ( 0.746 -8.755 -2.581) 9.158 91.734 ( 6.118 8.191 2.229) 10.464 92.121 ( 0.150 -5.606 13.281) 14.417 92.354 ( -9.499 7.486 -8.225) 14.626 92.846 ( -5.187 6.814 -2.335) 8.876 93.075 ( -2.463 11.522 -2.337) 12.012 95.131 ( 0.788 -7.322 -1.435) 7.503 95.665 ( 0.688 0.905 2.364) 2.623 96.021 ( 1.005 -0.472 -0.324) 1.156 96.216 ( 2.688 2.730 1.830) 4.246 96.465 ( -2.530 7.286 -3.102) 8.313 96.926 ( -1.221 4.848 4.241) 6.556 97.049 ( 3.758 -2.739 -1.567) 4.907 98.656 ( -20.196 23.728 -4.126) 31.431 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 5.936 35.028 5.183) 35.904 2.476 ( 20.460 17.186 6.284) 27.449 2.683 ( -5.213 24.834 -1.668) 25.430 2.941 ( -15.599 22.101 -5.559) 27.617 3.495 ( 2.037 -2.335 -1.988) 3.681 3.956 ( 11.810 14.530 1.774) 18.808 4.149 ( -0.330 -6.819 6.988) 9.769 4.189 ( 1.630 -4.751 -4.899) 7.016 4.309 ( -0.931 -7.801 0.464) 7.870 4.497 ( 4.397 -8.974 -4.399) 10.918 4.615 ( 3.993 -0.586 -0.197) 4.041 4.740 ( -6.412 -6.202 3.025) 9.419 4.873 ( -8.431 -6.322 -2.665) 10.869 5.060 ( -0.972 0.120 -0.672) 1.188 5.168 ( 4.956 0.008 -1.626) 5.216 5.249 ( 10.029 7.382 7.390) 14.480 5.329 ( -3.151 -1.721 -2.003) 4.112 5.489 ( -7.927 8.132 -1.270) 11.427 5.774 ( 4.243 0.831 0.034) 4.324 5.810 ( 2.942 2.034 -0.475) 3.608 5.889 ( -0.567 3.407 -3.273) 4.758 6.014 ( 1.452 -3.533 2.162) 4.389 6.137 ( -9.333 -6.349 0.804) 11.316 6.426 ( 6.637 -2.996 1.901) 7.525 6.546 ( -3.390 -2.981 -0.418) 4.534 6.779 ( -1.400 -3.706 -6.248) 7.398 7.043 ( 3.850 0.035 1.353) 4.081 7.118 ( -1.094 -8.351 6.498) 10.637 7.161 ( 2.200 -3.037 -7.166) 8.088 7.186 ( 0.999 4.355 -0.393) 4.485 7.670 ( 8.756 -12.162 2.726) 15.232 7.920 ( -5.092 -19.139 -0.242) 19.807 7.984 ( -0.200 -10.371 3.491) 10.945 8.192 ( -7.352 -11.327 -3.210) 13.880 8.529 ( 7.013 -3.710 -3.818) 8.805 8.764 ( 6.364 4.394 3.655) 8.554 9.012 ( -5.511 5.310 -2.536) 8.062 9.125 ( -6.247 -0.254 1.799) 6.505 9.321 ( 3.791 -1.859 -1.644) 4.531 9.534 ( -15.223 -1.877 2.933) 15.616 9.914 ( -4.140 14.738 -0.025) 15.308 10.846 ( -0.247 15.841 1.207) 15.889 11.925 ( 4.711 2.991 -1.281) 5.725 12.097 ( -6.459 6.216 1.669) 9.118 12.497 ( 2.597 4.943 -0.368) 5.596 12.744 ( 0.062 10.396 0.038) 10.396 12.840 ( 1.784 0.821 0.537) 2.036 12.915 ( 0.492 -0.857 0.010) 0.988 13.193 ( -0.550 2.605 0.032) 2.663 13.719 ( -1.998 -6.317 -0.510) 6.645 15.678 ( 1.228 -0.037 3.323) 3.543 15.705 ( 0.885 -0.758 -3.476) 3.666 15.785 ( 1.488 -1.128 -1.130) 2.182 15.918 ( -1.609 -2.440 1.327) 3.210 16.126 ( 0.275 -5.877 -0.370) 5.895 16.289 ( -0.680 -8.795 -0.217) 8.823 16.396 ( 0.284 -6.252 1.603) 6.460 16.458 ( 0.060 -0.129 -1.203) 1.211 16.802 ( -0.580 0.876 -0.436) 1.137 16.976 ( -1.417 3.754 -1.261) 4.206 17.194 ( 1.150 4.763 0.548) 4.931 17.511 ( 0.957 1.636 1.094) 2.188 21.807 ( 0.390 -4.128 -1.511) 4.413 21.915 ( -1.173 -2.994 3.284) 4.596 22.217 ( 2.736 1.217 -0.494) 3.035 22.262 ( -1.213 1.120 2.517) 3.010 22.344 ( 3.095 -2.493 -1.853) 4.385 22.421 ( -3.498 -2.640 -0.021) 4.382 22.606 ( 0.923 0.748 -0.944) 1.518 22.664 ( -2.175 2.193 -0.259) 3.100 22.912 ( 0.010 0.981 -0.135) 0.990 23.289 ( 1.745 4.187 0.409) 4.555 23.444 ( 0.425 -2.009 0.353) 2.083 23.485 ( 0.372 -3.530 -0.146) 3.552 23.787 ( -0.866 0.355 -1.029) 1.390 23.939 ( 0.015 -5.408 1.075) 5.514 24.667 ( 1.019 -1.535 -5.760) 6.048 24.675 ( -3.699 -5.295 3.641) 7.415 24.934 ( -0.444 -6.619 0.281) 6.640 25.928 ( 2.746 7.657 -2.860) 8.623 26.172 ( -0.317 9.449 1.788) 9.622 26.497 ( -0.098 5.319 3.186) 6.201 27.187 ( 19.919 -5.764 -7.728) 22.129 27.423 ( -7.037 -4.832 7.592) 11.424 27.613 ( -4.659 -5.988 -2.244) 7.912 27.854 ( 4.856 -0.162 -2.930) 5.673 27.946 ( 1.928 -5.470 2.593) 6.353 28.312 ( 6.476 -1.805 -0.727) 6.762 28.518 ( -7.318 -5.415 -0.266) 9.107 28.583 ( 6.985 -2.997 4.334) 8.750 28.786 ( -4.675 -9.010 -0.849) 10.186 29.559 ( -2.276 3.954 -2.392) 5.151 29.699 ( -0.382 -11.323 0.571) 11.344 29.841 ( 1.320 4.415 1.032) 4.722 29.965 ( 0.691 7.139 1.557) 7.339 30.128 ( -0.519 -4.769 -0.673) 4.844 30.223 ( -2.337 -0.313 3.618) 4.318 30.322 ( -5.345 1.784 0.005) 5.634 30.924 ( -3.409 15.945 -5.418) 17.182 31.277 ( -0.131 7.980 1.748) 8.170 31.459 ( 3.473 9.841 -0.771) 10.464 32.004 ( -5.146 -7.711 -0.652) 9.294 32.837 ( -1.335 13.431 1.958) 13.639 32.875 ( 0.537 -0.623 0.267) 0.865 33.577 ( 2.721 9.797 -0.217) 10.170 34.065 ( -1.445 10.550 0.149) 10.650 34.196 ( -2.633 -10.039 0.242) 10.381 34.590 ( -0.449 3.737 -1.533) 4.064 35.270 ( 1.374 6.597 -0.529) 6.759 35.518 ( -0.498 -1.064 0.236) 1.199 36.670 ( 5.235 -4.450 0.226) 6.875 37.027 ( -3.494 9.788 -0.706) 10.417 37.650 ( 9.299 -5.211 1.589) 10.777 37.745 ( 0.927 -0.506 -0.120) 1.063 37.904 ( -12.821 -1.217 -1.017) 12.919 38.230 ( 4.198 3.375 -0.629) 5.424 38.331 ( -3.908 -0.433 1.195) 4.109 38.605 ( 3.018 -6.437 2.015) 7.389 38.865 ( -3.493 5.302 -1.706) 6.574 39.143 ( 0.683 0.850 -0.905) 1.417 39.395 ( -0.171 -5.310 -0.131) 5.314 39.568 ( -1.180 -1.727 0.100) 2.094 49.105 ( -0.215 -2.871 0.074) 2.880 49.307 ( 0.262 -2.036 -0.362) 2.084 49.477 ( -0.172 1.839 0.062) 1.848 49.630 ( 0.437 2.279 -0.119) 2.324 86.584 ( 0.381 -0.936 -0.267) 1.045 86.703 ( 0.944 -1.400 0.642) 1.806 87.066 ( 2.857 6.336 -1.193) 7.052 88.629 ( 7.866 -21.731 -4.909) 23.626 89.334 ( -0.801 -1.594 -0.336) 1.815 89.360 ( -0.284 -1.299 0.546) 1.438 89.506 ( -0.687 -0.198 -0.077) 0.719 89.770 ( 0.727 -12.136 7.022) 14.040 89.839 ( 4.358 -14.014 7.216) 16.354 90.216 ( -2.633 -15.219 -6.937) 16.932 91.706 ( 0.212 -8.281 -2.670) 8.704 91.906 ( 8.805 9.362 7.399) 14.830 92.121 ( -10.666 7.803 -2.474) 13.445 92.184 ( 0.761 -3.537 0.450) 3.646 92.761 ( -2.358 8.321 -1.818) 8.838 93.034 ( -1.013 10.360 -0.879) 10.447 95.137 ( 0.301 -8.260 -0.570) 8.285 95.681 ( 0.220 -0.124 0.925) 0.959 96.036 ( 0.545 -1.150 0.007) 1.273 96.270 ( 1.895 0.504 1.535) 2.490 96.407 ( -1.907 10.912 -2.260) 11.306 96.924 ( -0.519 4.390 1.765) 4.760 97.097 ( 1.634 -3.001 -0.490) 3.452 98.388 ( -7.061 25.919 -1.478) 26.904 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 32.295 0.000) 32.295 2.464 ( 0.000 33.012 0.000) 33.012 3.293 ( 0.000 -21.156 0.000) 21.156 3.314 ( 0.000 8.744 0.000) 8.744 3.534 ( 0.000 38.192 0.000) 38.192 3.790 ( 0.000 7.893 0.000) 7.893 3.894 ( 0.000 -18.614 0.000) 18.614 4.133 ( 0.000 1.726 0.000) 1.726 4.264 ( 0.000 2.221 0.000) 2.221 4.374 ( 0.000 -7.692 0.000) 7.692 4.574 ( 0.000 -8.625 0.000) 8.625 4.581 ( 0.000 -2.845 0.000) 2.845 4.673 ( 0.000 9.749 0.000) 9.749 4.878 ( 0.000 -1.662 0.000) 1.662 5.104 ( 0.000 2.258 0.000) 2.258 5.357 ( 0.000 7.158 0.000) 7.158 5.394 ( 0.000 -11.839 0.000) 11.839 5.451 ( 0.000 12.617 0.000) 12.617 5.777 ( 0.000 -0.139 0.000) 0.139 5.874 ( 0.000 -9.011 0.000) 9.011 5.892 ( 0.000 -11.339 0.000) 11.339 6.146 ( 0.000 -5.986 0.000) 5.986 6.218 ( 0.000 4.138 0.000) 4.138 6.311 ( 0.000 -13.519 0.000) 13.519 6.373 ( 0.000 -6.380 0.000) 6.380 6.405 ( 0.000 -1.996 0.000) 1.996 6.734 ( 0.000 -2.706 0.000) 2.706 6.913 ( 0.000 -3.962 0.000) 3.962 6.949 ( 0.000 5.169 0.000) 5.169 7.534 ( 0.000 -2.002 0.000) 2.002 7.543 ( 0.000 -6.607 0.000) 6.607 7.658 ( 0.000 -0.307 0.000) 0.307 7.991 ( 0.000 -4.724 0.000) 4.724 8.177 ( 0.000 -7.069 0.000) 7.069 8.266 ( 0.000 6.420 0.000) 6.420 8.406 ( 0.000 6.643 0.000) 6.643 9.491 ( 0.000 -9.044 0.000) 9.044 9.716 ( 0.000 0.416 0.000) 0.416 9.784 ( 0.000 9.924 0.000) 9.924 10.071 ( 0.000 8.341 0.000) 8.341 10.424 ( 0.000 4.892 0.000) 4.892 10.983 ( 0.000 0.776 0.000) 0.776 12.004 ( 0.000 -0.013 0.000) 0.013 12.123 ( 0.000 0.464 0.000) 0.464 12.404 ( 0.000 -0.722 0.000) 0.722 12.584 ( 0.000 2.493 0.000) 2.493 12.804 ( 0.000 -2.258 0.000) 2.258 13.052 ( 0.000 7.779 0.000) 7.779 13.273 ( 0.000 3.088 0.000) 3.088 13.853 ( 0.000 -4.238 0.000) 4.238 15.501 ( 0.000 -1.430 0.000) 1.430 15.564 ( 0.000 -0.459 0.000) 0.459 15.847 ( 0.000 0.051 0.000) 0.051 15.898 ( 0.000 -0.517 0.000) 0.517 15.958 ( 0.000 -5.276 0.000) 5.276 16.112 ( 0.000 -5.833 0.000) 5.833 16.391 ( 0.000 0.676 0.000) 0.676 16.637 ( 0.000 -0.573 0.000) 0.573 16.871 ( 0.000 -0.746 0.000) 0.746 17.084 ( 0.000 3.353 0.000) 3.353 17.206 ( 0.000 0.680 0.000) 0.680 17.349 ( 0.000 0.495 0.000) 0.495 21.665 ( 0.000 -3.133 0.000) 3.133 21.925 ( 0.000 1.404 0.000) 1.404 22.104 ( 0.000 -5.242 0.000) 5.242 22.258 ( 0.000 -0.105 0.000) 0.105 22.271 ( 0.000 2.678 0.000) 2.678 22.453 ( 0.000 -2.252 0.000) 2.252 22.710 ( 0.000 -0.811 0.000) 0.811 22.799 ( 0.000 5.027 0.000) 5.027 22.962 ( 0.000 -1.715 0.000) 1.715 23.132 ( 0.000 -0.186 0.000) 0.186 23.381 ( 0.000 -0.397 0.000) 0.397 23.444 ( 0.000 -1.906 0.000) 1.906 23.803 ( 0.000 -1.880 0.000) 1.880 23.986 ( 0.000 3.933 0.000) 3.933 24.673 ( 0.000 -0.373 0.000) 0.373 24.800 ( 0.000 -2.218 0.000) 2.218 24.881 ( 0.000 -3.845 0.000) 3.845 25.819 ( 0.000 -3.086 0.000) 3.086 26.168 ( 0.000 7.164 0.000) 7.164 26.339 ( 0.000 -1.507 0.000) 1.507 26.507 ( 0.000 8.345 0.000) 8.345 27.371 ( 0.000 -1.078 0.000) 1.078 27.477 ( 0.000 -9.788 0.000) 9.788 27.540 ( 0.000 -3.820 0.000) 3.820 27.682 ( 0.000 -0.676 0.000) 0.676 28.063 ( 0.000 -0.272 0.000) 0.272 28.177 ( 0.000 -1.249 0.000) 1.249 28.681 ( 0.000 8.990 0.000) 8.990 28.798 ( 0.000 -1.752 0.000) 1.752 29.399 ( 0.000 -19.576 0.000) 19.576 29.632 ( 0.000 -6.337 0.000) 6.337 30.036 ( 0.000 5.349 0.000) 5.349 30.131 ( 0.000 6.866 0.000) 6.866 30.543 ( 0.000 17.411 0.000) 17.411 30.562 ( 0.000 6.403 0.000) 6.403 30.790 ( 0.000 9.280 0.000) 9.280 31.149 ( 0.000 -11.871 0.000) 11.871 31.312 ( 0.000 0.245 0.000) 0.245 31.332 ( 0.000 1.931 0.000) 1.931 32.353 ( 0.000 2.440 0.000) 2.440 32.773 ( 0.000 2.798 0.000) 2.798 33.401 ( 0.000 11.681 0.000) 11.681 33.513 ( 0.000 7.947 0.000) 7.947 34.069 ( 0.000 -11.040 0.000) 11.040 34.184 ( 0.000 -7.403 0.000) 7.403 34.779 ( 0.000 1.723 0.000) 1.723 35.096 ( 0.000 3.177 0.000) 3.177 35.551 ( 0.000 -2.360 0.000) 2.360 36.389 ( 0.000 3.917 0.000) 3.917 37.174 ( 0.000 -2.583 0.000) 2.583 37.177 ( 0.000 -6.513 0.000) 6.513 37.948 ( 0.000 2.728 0.000) 2.728 38.038 ( 0.000 1.793 0.000) 1.793 38.094 ( 0.000 -2.327 0.000) 2.327 38.538 ( 0.000 -4.042 0.000) 4.042 38.596 ( 0.000 2.172 0.000) 2.172 39.008 ( 0.000 -5.425 0.000) 5.425 39.100 ( 0.000 -0.274 0.000) 0.274 39.641 ( 0.000 1.008 0.000) 1.008 39.685 ( 0.000 -0.468 0.000) 0.468 49.107 ( 0.000 -1.079 0.000) 1.079 49.261 ( 0.000 -0.708 0.000) 0.708 49.515 ( 0.000 0.592 0.000) 0.592 49.600 ( 0.000 1.205 0.000) 1.205 86.562 ( 0.000 -0.322 0.000) 0.322 86.786 ( 0.000 2.898 0.000) 2.898 86.819 ( 0.000 -0.123 0.000) 0.123 87.007 ( 0.000 -5.179 0.000) 5.179 89.307 ( 0.000 0.103 0.000) 0.103 89.399 ( 0.000 0.010 0.000) 0.010 89.407 ( 0.000 -1.528 0.000) 1.528 89.614 ( 0.000 2.362 0.000) 2.362 89.990 ( 0.000 2.218 0.000) 2.218 90.050 ( 0.000 -10.338 0.000) 10.338 91.592 ( 0.000 -2.975 0.000) 2.975 91.712 ( 0.000 1.932 0.000) 1.932 91.929 ( 0.000 -4.133 0.000) 4.133 92.635 ( 0.000 1.550 0.000) 1.550 93.011 ( 0.000 0.395 0.000) 0.395 93.379 ( 0.000 7.771 0.000) 7.771 95.068 ( 0.000 -1.686 0.000) 1.686 95.671 ( 0.000 1.898 0.000) 1.898 95.982 ( 0.000 -1.339 0.000) 1.339 96.251 ( 0.000 4.980 0.000) 4.980 96.610 ( 0.000 2.788 0.000) 2.788 96.870 ( 0.000 -3.702 0.000) 3.702 97.065 ( 0.000 5.119 0.000) 5.119 99.391 ( 0.000 0.106 0.000) 0.106 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 18.365 29.258 8.520) 35.580 2.503 ( 3.581 32.701 2.141) 32.966 3.233 ( -2.920 2.602 0.425) 3.935 3.432 ( 6.373 -8.464 8.321) 13.472 3.600 ( 2.771 14.523 -0.816) 14.808 3.800 ( 4.782 19.000 -4.497) 20.102 3.836 ( -6.201 -12.896 1.799) 14.421 4.139 ( 1.626 1.250 0.622) 2.143 4.221 ( -3.056 -0.584 -4.718) 5.651 4.322 ( -3.457 -4.166 -3.180) 6.279 4.600 ( 1.969 -0.250 -4.803) 5.197 4.657 ( 5.800 -1.091 7.636) 9.651 4.714 ( 7.044 -0.154 -5.363) 8.854 4.894 ( 1.096 -2.174 5.509) 6.023 5.102 ( 2.310 0.727 -5.055) 5.605 5.242 ( -12.938 -12.257 -1.513) 17.886 5.443 ( 1.341 8.961 -3.201) 9.610 5.502 ( 9.021 8.624 5.671) 13.708 5.747 ( -1.036 -0.242 -6.341) 6.429 5.866 ( 1.314 -2.259 -2.173) 3.399 5.970 ( 3.732 -13.875 1.273) 14.424 6.077 ( -3.426 -2.391 -7.272) 8.387 6.211 ( -3.162 2.093 -3.159) 4.935 6.278 ( -1.797 -3.243 4.159) 5.572 6.366 ( 4.637 -10.811 2.759) 12.083 6.537 ( 5.453 -7.532 7.062) 11.676 6.789 ( 4.728 -0.380 -2.466) 5.346 6.917 ( -2.130 1.895 3.743) 4.705 6.944 ( 2.595 -3.749 -0.760) 4.622 7.444 ( -9.753 -2.544 5.882) 11.670 7.526 ( -0.497 -0.177 -1.374) 1.472 7.664 ( 0.075 -8.446 -4.103) 9.390 8.031 ( 2.565 -6.348 1.436) 6.996 8.171 ( -0.752 0.081 -4.078) 4.148 8.277 ( 3.526 1.920 -2.524) 4.742 8.482 ( 6.400 5.127 3.798) 9.037 9.403 ( -9.522 -7.062 1.662) 11.971 9.612 ( -9.816 1.375 -2.547) 10.234 9.638 ( -12.903 8.274 -3.402) 15.700 9.974 ( -10.996 2.214 3.870) 11.865 10.372 ( -5.411 6.110 0.044) 8.162 11.015 ( 2.168 3.719 2.598) 5.028 11.980 ( -1.588 4.779 -1.106) 5.156 12.154 ( 3.164 -3.360 0.025) 4.616 12.492 ( 7.146 1.013 1.365) 7.345 12.590 ( 0.967 2.112 0.261) 2.337 12.822 ( 1.959 -1.919 0.054) 2.743 13.039 ( -0.782 8.067 -1.718) 8.285 13.268 ( -1.083 3.030 2.193) 3.894 13.799 ( -5.173 -4.633 -1.250) 7.056 15.534 ( 3.540 -1.187 -0.114) 3.735 15.587 ( 2.259 -0.360 0.215) 2.298 15.828 ( -1.296 -0.111 -2.366) 2.700 15.903 ( -0.029 -0.834 1.617) 1.820 15.970 ( 1.201 -5.315 0.566) 5.478 16.115 ( 0.119 -6.207 0.300) 6.215 16.400 ( 0.450 1.268 1.451) 1.979 16.551 ( -6.670 -1.500 -3.082) 7.499 16.857 ( -1.392 -0.500 -0.802) 1.683 17.112 ( 1.937 3.805 -0.362) 4.285 17.190 ( -0.886 0.574 0.087) 1.060 17.400 ( 4.034 0.591 2.687) 4.883 21.684 ( 1.914 -2.910 0.205) 3.489 21.944 ( -0.008 1.411 3.521) 3.793 22.085 ( -2.538 -5.160 2.374) 6.221 22.225 ( 1.221 0.318 -1.999) 2.364 22.286 ( 0.315 0.839 -0.810) 1.208 22.509 ( 3.238 -0.499 1.320) 3.532 22.643 ( -5.466 -1.540 -1.171) 5.799 22.794 ( -0.250 4.866 -1.126) 5.000 22.948 ( -1.373 -1.968 -2.255) 3.293 23.172 ( 4.465 0.291 -1.315) 4.663 23.377 ( 0.278 -0.881 -1.977) 2.182 23.453 ( -0.011 -1.069 3.151) 3.328 23.809 ( 0.027 -2.061 2.033) 2.895 23.959 ( -2.539 3.075 -1.335) 4.205 24.670 ( -0.224 -0.267 -0.146) 0.378 24.765 ( -3.116 -2.988 -3.124) 5.329 24.869 ( -1.303 -3.798 0.531) 4.051 25.859 ( 4.525 -1.096 -1.864) 5.015 26.220 ( 4.314 7.086 2.583) 8.689 26.387 ( 5.736 -2.288 -2.479) 6.655 26.615 ( 9.555 8.126 4.697) 13.394 27.375 ( 1.504 -1.082 -3.814) 4.240 27.468 ( -1.691 -12.053 3.771) 12.742 27.593 ( 5.060 -3.102 0.840) 5.994 27.735 ( 4.841 0.305 1.456) 5.064 28.116 ( 6.033 0.328 -3.649) 7.058 28.189 ( 1.710 -2.782 1.098) 3.445 28.666 ( -0.118 4.055 -5.450) 6.794 28.789 ( -3.442 1.177 7.992) 8.781 29.391 ( -1.255 -18.259 1.995) 18.411 29.637 ( 1.695 -6.198 -4.027) 7.583 29.994 ( -4.029 6.425 0.620) 7.610 30.131 ( 0.270 5.170 -2.467) 5.735 30.411 ( -13.430 11.212 11.084) 20.711 30.525 ( -3.453 7.774 -9.082) 12.443 30.710 ( -8.209 5.718 0.695) 10.028 31.235 ( 7.991 -4.392 -2.342) 9.414 31.291 ( -1.036 1.686 -3.709) 4.204 31.356 ( 1.578 1.916 3.459) 4.257 32.300 ( -6.347 2.344 2.012) 7.059 32.776 ( 0.023 1.459 1.262) 1.929 33.312 ( -6.809 12.924 -0.996) 14.642 33.560 ( 3.139 3.837 0.019) 4.958 34.099 ( 2.202 -7.480 1.036) 7.865 34.160 ( -2.256 -5.329 1.927) 6.100 34.767 ( 0.000 4.581 -3.883) 6.005 35.153 ( 5.846 0.659 -2.299) 6.316 35.538 ( -1.803 -2.372 1.766) 3.464 36.422 ( 3.370 2.948 0.623) 4.521 37.176 ( 0.184 -2.058 1.579) 2.601 37.224 ( 4.731 -5.655 -0.381) 7.383 37.875 ( -4.362 3.472 -2.010) 5.926 38.107 ( 2.449 -2.074 -0.277) 3.221 38.140 ( 5.665 0.707 4.335) 7.168 38.473 ( -6.529 -4.523 -4.579) 9.168 38.564 ( -3.591 3.172 3.584) 5.984 39.010 ( 0.308 -4.237 -0.994) 4.363 39.109 ( 0.910 -0.205 -0.028) 0.933 39.544 ( -8.956 1.221 -2.875) 9.486 39.650 ( -2.867 -0.133 0.157) 2.874 49.095 ( -1.171 -1.145 0.154) 1.645 49.264 ( 0.459 -0.833 -0.416) 1.039 49.513 ( -0.290 0.736 0.193) 0.814 49.617 ( 1.611 1.098 -0.233) 1.963 86.563 ( 0.459 -0.163 -0.925) 1.045 86.686 ( -4.055 0.201 1.019) 4.186 86.934 ( 9.305 5.523 -1.054) 10.872 87.301 ( 24.705 -14.072 1.732) 28.484 89.316 ( -0.050 -0.236 3.673) 3.681 89.385 ( -1.965 -1.406 -0.453) 2.459 89.404 ( -0.407 -0.486 4.100) 4.149 89.597 ( -1.534 1.952 -0.649) 2.566 89.932 ( -4.686 -0.751 1.231) 4.903 90.076 ( 2.306 -7.284 -5.261) 9.277 91.593 ( 0.814 -4.262 -4.077) 5.954 91.745 ( 3.514 3.355 1.723) 5.154 91.960 ( 0.659 -3.886 9.759) 10.525 92.588 ( -4.262 1.975 -3.343) 5.766 92.991 ( -2.694 1.201 2.192) 3.675 93.338 ( -2.574 7.315 -6.114) 9.875 95.057 ( -0.608 -1.970 -1.370) 2.475 95.678 ( 0.039 1.615 2.037) 2.600 95.983 ( 0.199 -1.444 -0.102) 1.461 96.258 ( 0.480 4.215 1.275) 4.430 96.612 ( 0.527 4.281 -1.288) 4.502 96.884 ( 1.012 -4.141 1.349) 4.471 97.069 ( 0.475 4.881 0.053) 4.904 99.254 ( -12.742 3.826 -3.141) 13.670 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 19.505 24.281 9.266) 32.494 2.615 ( 7.130 31.267 4.876) 32.438 3.183 ( -3.023 9.007 -0.088) 9.502 3.524 ( -6.946 -13.699 0.581) 15.370 3.556 ( -1.312 5.947 -2.247) 6.492 3.726 ( -1.123 4.124 5.350) 6.848 3.960 ( 5.319 2.127 6.398) 8.588 4.095 ( -0.361 -5.509 -8.407) 10.057 4.252 ( 4.986 -0.141 1.418) 5.185 4.290 ( 2.956 2.525 -5.647) 6.856 4.625 ( 3.507 5.838 -3.968) 7.882 4.757 ( 1.679 -0.383 -4.130) 4.475 4.872 ( 8.353 -1.163 5.264) 9.942 4.945 ( -7.224 -9.642 5.817) 13.379 4.995 ( 0.194 -4.950 -3.645) 6.150 5.199 ( 9.088 1.981 -4.080) 10.157 5.428 ( -0.715 5.754 -3.707) 6.883 5.667 ( 4.962 7.450 -3.455) 9.595 5.728 ( 2.048 1.415 2.078) 3.243 5.890 ( 1.496 -1.734 0.888) 2.457 5.966 ( -1.461 -0.041 -3.639) 3.922 6.066 ( 4.692 -14.762 -3.423) 15.864 6.106 ( -5.256 3.834 -3.279) 7.286 6.249 ( -6.207 5.209 4.845) 9.441 6.490 ( 5.683 -7.593 2.193) 9.734 6.654 ( 3.890 -8.196 3.530) 9.735 6.849 ( 5.121 0.926 -1.822) 5.514 6.896 ( -1.205 -6.437 -1.350) 6.687 7.038 ( 5.999 -4.974 1.161) 7.879 7.308 ( -6.535 2.360 7.151) 9.971 7.509 ( -1.155 -1.282 1.989) 2.633 7.616 ( -2.844 -14.616 -3.040) 15.198 7.978 ( -7.981 -6.878 -2.257) 10.775 8.146 ( -2.522 -3.048 -4.298) 5.841 8.384 ( 10.070 4.685 -3.341) 11.598 8.649 ( 9.118 2.448 4.530) 10.471 9.191 ( -13.588 -4.105 3.665) 14.660 9.365 ( -12.355 4.051 -7.739) 15.131 9.392 ( -11.729 0.528 0.605) 11.757 9.745 ( -14.593 -2.230 4.447) 15.418 10.250 ( -6.975 7.726 0.095) 10.409 11.064 ( 1.599 7.490 2.499) 8.056 11.958 ( -0.130 4.348 -0.879) 4.437 12.209 ( 1.912 -0.349 0.456) 1.996 12.573 ( 1.446 6.479 0.143) 6.640 12.680 ( 7.621 -2.242 1.402) 8.067 12.867 ( 2.385 -1.367 0.180) 2.755 13.018 ( -0.307 9.675 -2.358) 9.963 13.251 ( -1.932 2.416 2.663) 4.082 13.675 ( -6.759 -6.427 -1.530) 9.452 15.619 ( 5.250 -0.536 0.006) 5.277 15.637 ( 2.585 -0.259 0.639) 2.676 15.790 ( -1.094 -0.261 -3.128) 3.325 15.903 ( -1.204 -1.099 2.269) 2.794 16.000 ( 1.395 -5.050 0.638) 5.278 16.115 ( -0.158 -7.260 -0.035) 7.262 16.379 ( -4.520 -0.416 -1.398) 4.750 16.460 ( 0.038 -0.258 0.382) 0.462 16.822 ( -1.645 -0.639 -0.828) 1.949 17.092 ( -2.613 2.754 -2.130) 4.353 17.220 ( 2.825 2.080 1.152) 3.693 17.487 ( 3.488 0.952 2.685) 4.503 21.728 ( 2.523 -2.393 -1.076) 3.641 21.907 ( -4.951 -0.744 4.948) 7.039 22.111 ( 3.497 -3.049 4.193) 6.254 22.265 ( 2.069 0.867 -1.772) 2.858 22.293 ( 1.760 -0.638 -1.810) 2.604 22.487 ( -5.673 0.119 -0.658) 5.712 22.590 ( 0.415 -1.665 0.272) 1.738 22.772 ( -1.649 4.125 -2.705) 5.201 22.915 ( -0.337 -1.353 -1.081) 1.764 23.264 ( 5.486 0.996 -0.669) 5.616 23.381 ( 1.349 -1.858 -2.178) 3.165 23.464 ( -0.635 0.127 3.148) 3.214 23.818 ( -0.239 -2.038 1.511) 2.549 23.888 ( -4.056 0.446 -1.417) 4.319 24.660 ( -2.067 -1.764 -5.249) 5.911 24.673 ( -3.186 -1.856 1.431) 3.955 24.844 ( -1.477 -3.932 0.478) 4.228 25.952 ( 6.243 2.143 -2.696) 7.130 26.313 ( 3.673 7.741 2.486) 8.922 26.498 ( 5.684 -1.335 0.092) 5.839 26.858 ( 14.182 5.778 2.413) 15.503 27.391 ( -0.196 -2.280 0.860) 2.444 27.451 ( -0.939 -13.574 2.367) 13.811 27.723 ( 8.687 -0.308 -1.507) 8.822 27.834 ( 4.499 0.587 0.847) 4.616 28.168 ( 1.192 -3.708 0.546) 3.933 28.332 ( 13.256 0.200 -3.792) 13.790 28.624 ( -2.715 -3.638 -3.360) 5.647 28.734 ( -6.126 2.971 7.090) 9.829 29.377 ( -1.434 -15.183 2.990) 15.540 29.663 ( 4.520 -4.610 -9.006) 11.081 29.913 ( -5.975 5.740 5.549) 9.973 30.115 ( -1.075 4.798 -0.485) 4.941 30.217 ( -10.876 6.350 6.738) 14.283 30.374 ( -7.969 3.795 -7.101) 11.328 30.533 ( -10.577 2.071 1.517) 10.884 31.228 ( -1.630 5.520 -7.674) 9.592 31.358 ( 2.102 3.946 4.827) 6.580 31.451 ( 9.794 1.709 -2.785) 10.325 32.143 ( -11.861 2.212 3.711) 12.624 32.786 ( 0.168 -1.914 2.357) 3.041 33.191 ( -5.149 12.740 -1.426) 13.816 33.610 ( 2.375 0.202 -0.194) 2.391 34.076 ( -3.683 -8.354 0.448) 9.141 34.201 ( 3.880 4.860 3.232) 7.009 34.751 ( 0.560 8.153 -5.010) 9.586 35.255 ( 6.169 -1.215 -3.632) 7.261 35.503 ( -3.165 -2.769 2.988) 5.159 36.509 ( 5.247 0.101 0.679) 5.291 37.187 ( 0.081 1.993 1.328) 2.396 37.350 ( 8.839 -5.508 1.380) 10.506 37.793 ( -3.650 2.156 -0.982) 4.351 38.165 ( -0.688 0.959 0.140) 1.188 38.183 ( -4.858 0.990 -1.249) 5.112 38.332 ( 0.383 -5.889 -1.326) 6.049 38.513 ( -3.629 2.447 3.792) 5.791 38.999 ( -0.979 -0.259 -2.036) 2.274 39.131 ( 1.368 -0.051 -0.095) 1.372 39.373 ( -6.516 -0.932 -2.331) 6.983 39.588 ( -3.724 -0.806 0.173) 3.814 49.074 ( -1.090 -1.398 0.175) 1.781 49.271 ( 0.507 -0.994 -0.507) 1.226 49.508 ( -0.307 0.917 0.283) 1.007 49.647 ( 1.529 1.125 -0.285) 1.920 86.570 ( 0.759 0.109 -1.032) 1.286 86.660 ( 0.116 -0.750 0.826) 1.121 87.116 ( 9.808 9.720 -0.804) 13.832 87.779 ( 23.871 -25.166 -0.098) 34.687 89.328 ( -0.662 -0.625 1.367) 1.642 89.344 ( -1.706 -1.375 0.879) 2.362 89.431 ( 0.013 -2.575 9.628) 9.966 89.556 ( -2.455 0.620 -0.458) 2.573 89.858 ( -3.225 -0.492 0.205) 3.269 90.065 ( -0.419 -6.875 -7.284) 10.025 91.583 ( 0.570 -4.919 -5.007) 7.043 91.860 ( 7.136 4.389 5.119) 9.818 92.032 ( 1.325 -3.287 11.891) 12.408 92.453 ( -7.769 3.103 -6.177) 10.399 92.937 ( -4.003 2.846 2.009) 5.306 93.250 ( -2.812 6.137 -7.580) 10.150 95.041 ( -0.342 -2.547 -1.362) 2.908 95.686 ( -0.275 0.998 2.034) 2.282 95.988 ( 0.294 -1.828 -0.066) 1.853 96.280 ( 0.977 2.865 1.781) 3.512 96.614 ( 0.411 7.111 -1.743) 7.333 96.910 ( 0.646 -4.401 1.990) 4.873 97.084 ( 1.110 3.943 -0.199) 4.101 98.971 ( -14.164 9.763 -3.549) 17.565 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 6.320 23.201 3.508) 24.301 2.815 ( 9.237 22.017 5.001) 24.394 3.116 ( -3.128 14.059 -1.390) 14.469 3.360 ( -7.496 15.477 -2.206) 17.337 3.474 ( -2.599 2.033 -1.401) 3.584 3.771 ( -0.124 -18.505 3.609) 18.854 4.014 ( 1.648 -7.403 -1.470) 7.725 4.155 ( 4.814 -7.089 5.023) 9.933 4.326 ( 3.645 -1.834 -8.067) 9.040 4.331 ( 1.001 -5.915 1.959) 6.311 4.614 ( -6.393 6.616 2.255) 9.472 4.734 ( 1.694 -2.701 -3.770) 4.938 4.819 ( -0.315 5.040 -3.115) 5.933 5.030 ( 3.649 -8.882 1.637) 9.741 5.078 ( 2.984 7.800 2.574) 8.739 5.331 ( 1.544 6.231 0.631) 6.450 5.424 ( 4.571 3.832 -3.418) 6.875 5.717 ( 1.634 8.433 0.757) 8.623 5.786 ( 4.811 3.583 -3.539) 6.965 5.914 ( 0.890 -4.282 0.197) 4.378 5.960 ( -0.201 -3.277 0.736) 3.365 6.005 ( -2.617 10.194 -2.536) 10.826 6.088 ( -9.028 7.385 3.735) 12.247 6.183 ( 5.077 -15.206 -0.652) 16.045 6.541 ( -0.457 -0.352 0.072) 0.581 6.677 ( -1.062 -5.586 -1.814) 5.968 6.845 ( -2.166 -14.969 0.939) 15.154 7.004 ( 9.168 -3.088 0.792) 9.706 7.129 ( 2.182 -2.966 -1.662) 4.040 7.278 ( -0.838 2.802 2.582) 3.902 7.527 ( -0.024 -2.246 2.687) 3.502 7.576 ( 1.608 -13.861 2.965) 14.266 7.803 ( -7.546 -9.375 -2.127) 12.221 7.999 ( -7.756 -7.283 -5.421) 11.941 8.575 ( 9.649 7.993 -2.221) 12.725 8.822 ( 5.205 1.714 1.984) 5.828 9.003 ( -6.164 -4.774 8.610) 11.615 9.128 ( -8.818 0.436 -9.578) 13.026 9.247 ( -4.025 -5.992 0.325) 7.225 9.543 ( -7.373 2.616 2.720) 8.283 10.150 ( -3.105 8.835 -0.036) 9.365 11.092 ( 0.495 9.006 0.950) 9.069 11.960 ( 0.348 0.687 -0.305) 0.828 12.224 ( -0.055 6.034 0.299) 6.041 12.594 ( 0.780 4.305 -0.081) 4.376 12.805 ( 4.233 -1.072 0.978) 4.475 12.900 ( 1.162 -0.521 -0.065) 1.275 13.002 ( -0.683 11.949 -1.095) 12.018 13.232 ( -0.878 1.358 1.065) 1.936 13.568 ( -3.432 -8.838 -0.690) 9.506 15.675 ( 0.975 -0.316 1.126) 1.522 15.702 ( 2.850 0.683 -0.809) 3.040 15.770 ( 0.416 -0.466 -1.445) 1.574 15.880 ( -1.793 -1.247 1.223) 2.503 16.020 ( 0.489 -4.351 0.281) 4.387 16.110 ( -0.213 -8.127 -0.248) 8.133 16.304 ( -2.018 -3.214 -0.902) 3.901 16.484 ( 0.922 1.767 0.745) 2.128 16.798 ( -0.631 -0.955 -0.275) 1.177 17.040 ( -1.554 2.518 -1.039) 3.136 17.265 ( 1.332 2.515 0.394) 2.873 17.540 ( 1.230 1.227 1.062) 2.037 21.747 ( 0.334 -2.011 -1.532) 2.550 21.868 ( -1.196 -1.715 3.302) 3.908 22.201 ( 3.214 -1.803 2.913) 4.698 22.276 ( 0.232 0.398 -0.178) 0.494 22.317 ( 1.278 -0.775 -1.972) 2.474 22.384 ( -4.062 -1.103 -1.058) 4.340 22.604 ( 0.594 -0.557 0.352) 0.887 22.722 ( -1.622 3.117 -1.771) 3.935 22.924 ( 0.693 0.020 0.274) 0.745 23.345 ( 2.785 1.747 -0.089) 3.289 23.408 ( 2.473 -2.011 -1.235) 3.418 23.451 ( -2.146 0.159 1.657) 2.716 23.795 ( -1.760 0.342 -1.358) 2.249 23.838 ( -0.890 -4.357 0.976) 4.553 24.575 ( -2.392 -3.308 -1.989) 4.541 24.666 ( -0.144 -0.072 0.401) 0.432 24.825 ( -0.639 -4.163 0.152) 4.214 26.038 ( 3.311 3.520 -1.416) 5.036 26.361 ( 0.745 9.294 0.975) 9.374 26.568 ( 1.683 1.554 0.786) 2.422 27.122 ( 13.646 -0.562 -2.794) 13.940 27.319 ( -9.104 -6.381 7.143) 13.214 27.480 ( 2.257 -5.841 -1.802) 6.516 27.848 ( 4.296 0.299 -1.798) 4.667 27.896 ( 1.846 -0.564 0.200) 1.941 28.231 ( 6.086 -4.942 -0.194) 7.842 28.459 ( -5.629 -0.970 -0.439) 5.729 28.589 ( 5.176 1.761 2.634) 6.069 28.667 ( -2.383 -3.036 -1.451) 4.124 29.363 ( -1.196 -13.483 1.591) 13.629 29.707 ( 4.336 2.585 -11.235) 12.317 29.851 ( -4.322 -2.062 12.664) 13.539 30.091 ( -3.667 5.620 8.129) 10.541 30.106 ( -0.539 3.767 -8.805) 9.592 30.219 ( -4.483 -0.444 -1.953) 4.910 30.376 ( -5.668 1.015 0.273) 5.765 31.174 ( -0.979 8.309 -3.063) 8.909 31.391 ( 0.232 3.888 2.182) 4.465 31.644 ( 11.599 7.940 -4.497) 14.758 31.926 ( -12.394 0.043 4.293) 13.116 32.799 ( 0.096 -4.819 1.346) 5.005 33.122 ( -1.693 12.518 -0.786) 12.656 33.642 ( 1.055 -1.431 -0.118) 1.782 34.021 ( -1.857 -7.139 0.166) 7.378 34.274 ( 2.016 9.704 1.615) 10.042 34.741 ( 0.235 9.715 -2.475) 10.028 35.333 ( 3.574 0.074 -2.645) 4.447 35.457 ( -2.703 -4.511 2.420) 5.789 36.593 ( 2.775 -3.037 0.232) 4.121 37.189 ( -0.199 6.058 0.476) 6.080 37.561 ( 12.497 -3.441 3.594) 13.452 37.740 ( -1.489 0.280 -1.082) 1.862 37.882 ( -15.826 -1.365 -3.515) 16.269 38.267 ( 5.088 1.539 -0.565) 5.346 38.356 ( -1.211 1.093 0.169) 1.640 38.483 ( -0.901 -4.706 2.513) 5.410 38.966 ( -1.032 4.463 -1.261) 4.751 39.153 ( 0.860 0.202 -0.115) 0.891 39.298 ( -1.492 -4.336 -0.611) 4.626 39.531 ( -1.959 -1.723 0.071) 2.610 49.060 ( -0.402 -1.621 0.073) 1.672 49.277 ( 0.213 -1.061 -0.224) 1.105 49.505 ( -0.129 1.002 0.136) 1.020 49.666 ( 0.571 1.257 -0.122) 1.386 86.578 ( 0.384 0.229 -0.431) 0.621 86.674 ( 0.573 -1.439 0.306) 1.579 87.248 ( 4.110 12.860 -0.353) 13.505 88.094 ( 9.355 -29.324 -0.833) 30.791 89.306 ( -0.730 -1.071 -0.296) 1.330 89.339 ( -0.205 -0.753 0.795) 1.114 89.481 ( 1.028 -5.317 5.233) 7.531 89.514 ( -2.133 -2.060 1.244) 3.216 89.827 ( -0.446 0.592 0.320) 0.807 90.010 ( -1.427 -6.426 -4.840) 8.170 91.573 ( 0.205 -4.881 -2.017) 5.285 92.040 ( 9.152 4.412 5.327) 11.472 92.100 ( 0.755 -2.426 7.843) 8.244 92.259 ( -9.313 4.081 -8.115) 13.009 92.879 ( -2.172 3.937 0.254) 4.503 93.187 ( -1.047 5.169 -3.147) 6.142 95.033 ( -0.049 -2.932 -0.523) 2.978 95.687 ( -0.203 0.506 0.770) 0.944 95.992 ( 0.132 -2.218 -0.017) 2.222 96.303 ( 0.584 1.873 0.900) 2.159 96.612 ( 0.082 9.204 -0.872) 9.246 96.923 ( 0.063 -3.998 0.984) 4.118 97.102 ( 0.710 2.762 -0.159) 2.856 98.765 ( -5.831 12.729 -1.481) 14.080 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 -0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 -0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 -0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 -0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.903 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.465 ( 0.000 0.000 0.000) 0.000 10.990 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.783 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.305 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.560 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 15.903 ( 0.000 0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.631 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 17.122 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 21.634 ( 0.000 0.000 0.000) 0.000 21.951 ( 0.000 0.000 0.000) 0.000 22.040 ( 0.000 0.000 0.000) 0.000 22.256 ( 0.000 0.000 0.000) 0.000 22.302 ( 0.000 0.000 0.000) 0.000 22.424 ( 0.000 0.000 0.000) 0.000 22.702 ( 0.000 0.000 0.000) 0.000 22.864 ( 0.000 0.000 0.000) 0.000 22.932 ( 0.000 0.000 0.000) 0.000 23.130 ( 0.000 0.000 0.000) 0.000 23.377 ( 0.000 0.000 0.000) 0.000 23.425 ( 0.000 0.000 0.000) 0.000 23.784 ( 0.000 0.000 0.000) 0.000 24.027 ( 0.000 0.000 0.000) 0.000 24.670 ( 0.000 0.000 0.000) 0.000 24.778 ( 0.000 0.000 0.000) 0.000 24.842 ( 0.000 0.000 0.000) 0.000 25.785 ( 0.000 0.000 0.000) 0.000 26.261 ( 0.000 0.000 0.000) 0.000 26.305 ( 0.000 0.000 0.000) 0.000 26.609 ( 0.000 0.000 0.000) 0.000 27.352 ( 0.000 0.000 0.000) 0.000 27.359 ( 0.000 0.000 0.000) 0.000 27.502 ( 0.000 0.000 0.000) 0.000 27.686 ( 0.000 0.000 0.000) 0.000 28.049 ( 0.000 0.000 0.000) 0.000 28.165 ( 0.000 0.000 0.000) 0.000 28.784 ( 0.000 0.000 0.000) 0.000 28.872 ( 0.000 0.000 0.000) 0.000 29.111 ( 0.000 0.000 0.000) 0.000 29.565 ( 0.000 0.000 0.000) 0.000 30.093 ( 0.000 0.000 0.000) 0.000 30.197 ( 0.000 0.000 0.000) 0.000 30.615 ( 0.000 0.000 0.000) 0.000 30.832 ( 0.000 -0.000 0.000) 0.000 30.901 ( 0.000 0.000 0.000) 0.000 30.913 ( 0.000 0.000 0.000) 0.000 31.316 ( 0.000 0.000 0.000) 0.000 31.346 ( 0.000 0.000 0.000) 0.000 32.380 ( 0.000 0.000 0.000) 0.000 32.810 ( 0.000 0.000 0.000) 0.000 33.526 ( 0.000 0.000 0.000) 0.000 33.592 ( 0.000 0.000 0.000) 0.000 33.950 ( 0.000 0.000 0.000) 0.000 34.105 ( 0.000 0.000 0.000) 0.000 34.801 ( 0.000 0.000 0.000) 0.000 35.127 ( 0.000 0.000 0.000) 0.000 35.519 ( 0.000 0.000 0.000) 0.000 36.436 ( 0.000 0.000 0.000) 0.000 37.103 ( 0.000 0.000 0.000) 0.000 37.149 ( 0.000 0.000 0.000) 0.000 38.015 ( 0.000 -0.000 0.000) 0.000 38.027 ( 0.000 0.000 0.000) 0.000 38.053 ( 0.000 0.000 0.000) 0.000 38.502 ( 0.000 0.000 0.000) 0.000 38.624 ( 0.000 0.000 0.000) 0.000 38.948 ( 0.000 0.000 0.000) 0.000 39.096 ( 0.000 0.000 0.000) 0.000 39.657 ( 0.000 0.000 0.000) 0.000 39.674 ( 0.000 -0.000 0.000) 0.000 49.097 ( 0.000 0.000 0.000) 0.000 49.254 ( 0.000 0.000 0.000) 0.000 49.521 ( 0.000 0.000 0.000) 0.000 49.612 ( 0.000 0.000 0.000) 0.000 86.558 ( 0.000 0.000 0.000) 0.000 86.818 ( 0.000 0.000 0.000) 0.000 86.831 ( 0.000 0.000 0.000) 0.000 86.939 ( 0.000 0.000 0.000) 0.000 89.308 ( 0.000 0.000 0.000) 0.000 89.391 ( 0.000 0.000 0.000) 0.000 89.399 ( 0.000 0.000 0.000) 0.000 89.646 ( 0.000 0.000 0.000) 0.000 89.938 ( 0.000 0.000 0.000) 0.000 90.012 ( 0.000 0.000 0.000) 0.000 91.557 ( 0.000 0.000 0.000) 0.000 91.737 ( 0.000 0.000 0.000) 0.000 91.888 ( 0.000 0.000 0.000) 0.000 92.651 ( 0.000 0.000 0.000) 0.000 93.015 ( 0.000 0.000 0.000) 0.000 93.455 ( 0.000 0.000 0.000) 0.000 95.052 ( 0.000 0.000 0.000) 0.000 95.691 ( 0.000 0.000 0.000) 0.000 95.968 ( 0.000 0.000 0.000) 0.000 96.304 ( 0.000 0.000 0.000) 0.000 96.638 ( 0.000 0.000 0.000) 0.000 96.830 ( 0.000 0.000 0.000) 0.000 97.117 ( 0.000 0.000 0.000) 0.000 99.392 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 30 (18/125) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 17.703 0.000 5.636) 18.578 2.954 ( 2.149 -0.000 2.878) 3.592 2.997 ( 5.058 0.000 6.129) 7.947 3.384 ( -4.230 0.000 3.024) 5.200 3.617 ( -1.957 -0.000 1.957) 2.768 3.701 ( -2.979 0.000 -3.596) 4.669 4.114 ( -2.026 0.000 1.006) 2.262 4.164 ( 1.536 0.000 1.908) 2.450 4.221 ( -5.965 0.000 -0.968) 6.044 4.310 ( 9.800 0.000 -5.044) 11.021 4.607 ( 8.073 -0.000 4.093) 9.052 4.613 ( 7.457 0.000 -3.978) 8.452 4.750 ( -2.670 0.000 -7.620) 8.074 4.918 ( -0.399 0.000 7.688) 7.699 5.080 ( 0.072 0.000 -1.781) 1.782 5.127 ( -8.339 0.000 -7.588) 11.274 5.594 ( -0.333 0.000 -5.899) 5.908 5.672 ( 7.658 -0.000 -7.828) 10.951 5.673 ( 8.455 0.000 0.249) 8.459 5.740 ( -0.011 -0.000 2.142) 2.142 5.766 ( -1.186 0.000 -4.008) 4.179 6.048 ( -2.161 0.000 -1.488) 2.624 6.125 ( 3.968 0.000 9.622) 10.408 6.296 ( 1.327 0.000 -2.431) 2.770 6.302 ( 3.082 0.000 0.380) 3.105 6.496 ( -0.571 0.000 8.215) 8.235 6.812 ( 7.099 -0.000 2.332) 7.472 6.863 ( 1.554 0.000 -3.232) 3.586 7.011 ( -6.501 0.000 3.437) 7.354 7.325 ( -3.791 -0.000 2.647) 4.624 7.533 ( -2.449 0.000 -1.799) 3.039 7.611 ( -3.893 0.000 -2.208) 4.476 7.958 ( -0.078 0.000 1.091) 1.093 8.130 ( 2.431 0.000 -3.837) 4.543 8.355 ( 3.140 0.000 -1.749) 3.595 8.528 ( 4.687 0.000 3.322) 5.745 9.320 ( -7.382 0.000 -0.022) 7.382 9.619 ( -9.663 0.000 -0.098) 9.663 9.735 ( -14.920 0.000 -4.463) 15.573 9.997 ( -15.679 0.000 3.434) 16.051 10.432 ( -4.152 0.000 0.005) 4.152 11.051 ( 4.659 0.000 2.366) 5.225 12.074 ( -4.044 -0.000 -0.587) 4.087 12.078 ( 6.966 0.000 -0.751) 7.006 12.483 ( 7.834 0.000 1.564) 7.989 12.626 ( 1.436 0.000 0.246) 1.456 12.802 ( 1.933 0.000 0.227) 1.946 13.125 ( -0.375 0.000 -2.141) 2.173 13.305 ( -0.924 0.000 3.003) 3.142 13.743 ( -6.041 0.000 -1.417) 6.205 15.524 ( 3.805 0.000 0.025) 3.805 15.584 ( 2.379 0.000 0.095) 2.381 15.825 ( -1.456 0.000 -2.516) 2.907 15.896 ( -0.141 0.000 1.444) 1.451 15.915 ( 1.014 0.000 1.143) 1.527 16.050 ( -0.168 0.000 -0.160) 0.232 16.417 ( 1.296 0.000 1.866) 2.272 16.534 ( -7.731 0.000 -3.534) 8.501 16.849 ( -1.376 0.000 -0.402) 1.433 17.164 ( 3.667 0.000 1.012) 3.804 17.183 ( -2.363 -0.000 -1.241) 2.669 17.408 ( 4.146 0.000 2.602) 4.895 21.655 ( 2.086 0.000 0.391) 2.122 21.986 ( 2.954 0.000 2.912) 4.148 22.005 ( -5.246 0.000 2.574) 5.843 22.227 ( 0.807 0.000 -1.810) 1.982 22.296 ( -0.282 0.000 -1.025) 1.063 22.502 ( 4.869 0.000 1.632) 5.135 22.627 ( -6.713 0.000 -0.707) 6.750 22.865 ( 0.403 0.000 -0.185) 0.443 22.907 ( -2.045 0.000 -4.147) 4.623 23.175 ( 4.986 0.000 -1.915) 5.341 23.368 ( -0.074 0.000 -2.543) 2.544 23.442 ( 0.516 0.000 4.334) 4.364 23.787 ( -0.275 0.000 2.136) 2.153 23.992 ( -3.311 0.000 -1.714) 3.728 24.668 ( -0.274 0.000 0.487) 0.559 24.736 ( -3.596 0.000 -3.354) 4.917 24.830 ( -1.249 0.000 0.338) 1.294 25.845 ( 5.984 0.000 -0.202) 5.987 26.316 ( 6.587 0.000 -2.989) 7.233 26.342 ( 3.498 0.000 0.674) 3.562 26.717 ( 9.275 0.000 6.601) 11.384 27.325 ( -3.599 0.000 3.061) 4.725 27.364 ( 1.574 0.000 -4.095) 4.387 27.561 ( 6.143 0.000 1.493) 6.322 27.743 ( 4.703 0.000 2.559) 5.354 28.115 ( 8.660 0.000 -4.560) 9.787 28.155 ( -1.246 0.000 0.184) 1.259 28.714 ( -4.467 0.000 -5.965) 7.453 28.876 ( -3.108 0.000 7.299) 7.933 29.138 ( 1.978 0.000 3.087) 3.667 29.571 ( 1.766 0.000 -3.829) 4.217 30.062 ( -3.290 0.000 0.389) 3.312 30.179 ( -1.135 0.000 -2.000) 2.300 30.512 ( -12.438 0.000 7.222) 14.383 30.657 ( -10.688 0.000 -6.261) 12.387 30.731 ( -9.540 0.000 -0.849) 9.577 31.187 ( 15.671 0.000 -1.747) 15.768 31.306 ( -0.555 0.000 -1.923) 2.001 31.373 ( 1.721 0.000 2.225) 2.813 32.329 ( -6.768 0.000 4.584) 8.175 32.796 ( -1.316 0.000 -0.704) 1.492 33.486 ( -8.248 0.000 -1.884) 8.460 33.544 ( 1.614 0.000 0.626) 1.731 34.012 ( 2.082 0.000 -0.392) 2.118 34.125 ( 3.634 0.000 3.631) 5.137 34.821 ( 2.989 0.000 -4.329) 5.260 35.153 ( 3.187 0.000 -1.713) 3.618 35.506 ( -1.877 0.000 2.035) 2.768 36.459 ( 2.245 0.000 0.467) 2.293 37.135 ( 2.865 0.000 2.150) 3.582 37.180 ( 3.420 0.000 -0.172) 3.424 37.925 ( -5.435 0.000 -1.759) 5.712 38.067 ( 4.318 0.000 -0.309) 4.329 38.145 ( 5.106 0.000 3.522) 6.203 38.428 ( -7.191 0.000 -3.787) 8.128 38.608 ( -2.608 0.000 3.032) 3.999 38.957 ( 1.544 0.000 -2.212) 2.697 39.108 ( 0.908 0.000 1.090) 1.418 39.556 ( -9.055 0.000 -2.727) 9.457 39.647 ( -2.880 0.000 0.160) 2.884 49.084 ( -1.250 0.000 0.138) 1.258 49.256 ( 0.343 0.000 -0.335) 0.480 49.520 ( -0.197 0.000 0.272) 0.336 49.628 ( 1.552 0.000 -0.219) 1.567 86.561 ( 0.649 0.000 -0.994) 1.187 86.688 ( -4.411 0.000 0.580) 4.448 87.075 ( 15.575 0.000 0.742) 15.593 87.079 ( 13.805 0.000 0.663) 13.821 89.314 ( -0.157 0.000 3.172) 3.176 89.370 ( -1.963 0.000 -0.608) 2.055 89.400 ( -0.713 0.000 3.508) 3.580 89.624 ( -2.182 0.000 -0.736) 2.303 89.895 ( -3.503 0.000 0.464) 3.534 90.027 ( 1.597 0.000 -4.774) 5.034 91.549 ( 0.522 0.000 -5.097) 5.124 91.780 ( 3.835 0.000 3.201) 4.996 91.920 ( 1.039 0.000 9.260) 9.319 92.607 ( -3.938 0.000 -2.958) 4.925 93.002 ( -2.073 0.000 2.598) 3.323 93.410 ( -2.884 0.000 -6.783) 7.371 95.039 ( -0.820 0.000 -1.464) 1.678 95.694 ( -0.210 0.000 1.955) 1.966 95.968 ( 0.054 0.000 -0.118) 0.130 96.302 ( -0.332 0.000 1.306) 1.347 96.661 ( 2.325 0.000 -0.527) 2.384 96.835 ( 0.347 0.000 0.616) 0.707 97.119 ( 0.169 0.000 0.307) 0.351 99.289 ( -9.717 0.000 -2.655) 10.073 ======================= Grid point 32 (19/125) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 19.395 0.000 4.040) 19.811 3.056 ( 7.421 -0.000 8.604) 11.362 3.091 ( 0.510 0.000 6.195) 6.216 3.296 ( -5.512 0.000 0.858) 5.579 3.610 ( -4.424 0.000 -4.667) 6.431 3.646 ( 4.770 0.000 6.816) 8.319 4.026 ( -9.511 -0.000 -8.912) 13.035 4.083 ( -5.697 0.000 7.344) 9.294 4.252 ( 5.236 0.000 3.435) 6.263 4.392 ( -2.364 0.000 -8.489) 8.812 4.663 ( -0.074 0.000 -10.795) 10.796 4.715 ( 7.023 0.000 -7.835) 10.522 4.813 ( 8.223 0.000 6.471) 10.463 4.892 ( -5.262 0.000 8.956) 10.387 5.143 ( 15.089 -0.000 -5.872) 16.191 5.146 ( 6.938 0.000 1.430) 7.084 5.513 ( -1.732 0.000 -10.038) 10.186 5.711 ( 1.026 0.000 -5.870) 5.959 5.743 ( 0.243 0.000 -0.624) 0.670 5.774 ( 3.214 0.000 -1.150) 3.413 5.868 ( 9.493 0.000 1.706) 9.645 5.966 ( -4.164 0.000 -2.886) 5.067 6.256 ( 2.641 0.000 5.399) 6.010 6.290 ( -0.742 0.000 -2.955) 3.047 6.388 ( 5.950 0.000 2.058) 6.296 6.572 ( 2.304 0.000 11.711) 11.936 6.839 ( -9.977 0.000 -1.934) 10.163 6.910 ( 2.815 -0.000 -1.084) 3.016 6.950 ( 6.535 0.000 0.013) 6.535 7.277 ( -2.027 -0.000 6.854) 7.148 7.497 ( -6.882 0.000 -3.200) 7.590 7.500 ( -0.055 0.000 1.982) 1.983 7.881 ( -8.602 0.000 -2.020) 8.836 8.106 ( -3.525 0.000 -7.496) 8.283 8.487 ( 11.708 0.000 -0.425) 11.716 8.653 ( 6.460 0.000 4.176) 7.693 9.141 ( -11.128 0.000 0.091) 11.129 9.379 ( -16.126 0.000 1.342) 16.182 9.416 ( -14.443 0.000 -6.579) 15.871 9.728 ( -13.699 0.000 5.058) 14.603 10.327 ( -6.148 0.000 -0.166) 6.150 11.139 ( 3.154 0.000 2.181) 3.834 12.004 ( -3.050 0.000 -0.247) 3.060 12.207 ( 6.532 0.000 -0.749) 6.575 12.646 ( 0.215 -0.000 0.319) 0.385 12.650 ( 8.788 0.000 1.798) 8.970 12.848 ( 2.719 0.000 0.246) 2.730 13.123 ( 1.889 0.000 -3.404) 3.893 13.291 ( -2.630 0.000 4.320) 5.057 13.590 ( -8.938 0.000 -2.040) 9.168 15.617 ( 5.804 0.000 0.135) 5.806 15.635 ( 2.600 0.000 0.478) 2.644 15.786 ( -1.040 0.000 -3.010) 3.185 15.895 ( -1.102 0.000 1.850) 2.153 15.946 ( 1.356 0.000 1.729) 2.197 16.040 ( -0.720 0.000 -0.791) 1.070 16.374 ( -6.936 0.000 -3.415) 7.731 16.461 ( 2.165 0.000 2.418) 3.245 16.813 ( -1.899 0.000 -0.680) 2.017 17.121 ( -3.202 0.000 -1.755) 3.651 17.239 ( 3.552 0.000 0.908) 3.666 17.498 ( 3.686 0.000 2.592) 4.506 21.704 ( 2.793 0.000 -0.855) 2.921 21.902 ( -6.214 0.000 4.429) 7.631 22.077 ( 4.648 0.000 4.575) 6.522 22.274 ( 3.713 -0.000 -2.060) 4.246 22.286 ( -0.146 0.000 -1.550) 1.557 22.490 ( -7.034 0.000 -1.316) 7.156 22.569 ( 1.786 0.000 1.370) 2.251 22.830 ( -3.447 0.000 -5.087) 6.145 22.886 ( 1.748 -0.000 0.551) 1.833 23.274 ( 6.219 0.000 -1.213) 6.336 23.361 ( 0.831 0.000 -2.811) 2.931 23.468 ( -0.317 0.000 4.070) 4.083 23.791 ( -0.576 0.000 2.415) 2.483 23.898 ( -5.303 0.000 -2.605) 5.909 24.632 ( -5.088 0.000 -4.015) 6.482 24.666 ( -0.233 0.000 0.700) 0.738 24.804 ( -1.541 0.000 0.235) 1.559 25.972 ( 7.190 0.000 -0.834) 7.238 26.421 ( 4.190 0.000 0.641) 4.239 26.451 ( 8.489 0.000 -2.494) 8.847 26.958 ( 11.585 0.000 8.072) 14.120 27.261 ( -4.842 0.000 4.501) 6.611 27.384 ( 2.724 0.000 -3.666) 4.568 27.727 ( 10.575 0.000 -0.670) 10.596 27.838 ( 3.788 0.000 1.634) 4.125 28.127 ( -1.172 0.000 0.229) 1.194 28.330 ( 16.387 0.000 -4.570) 17.013 28.592 ( -5.802 0.000 -5.116) 7.735 28.799 ( -8.653 0.000 6.553) 10.854 29.195 ( 1.492 0.000 4.482) 4.724 29.607 ( 5.503 0.000 -7.535) 9.330 29.978 ( -7.192 0.000 4.762) 8.626 30.155 ( -0.279 0.000 -1.317) 1.347 30.293 ( -12.619 0.000 5.099) 13.610 30.429 ( -11.525 0.000 -5.236) 12.659 30.530 ( -10.549 0.000 -1.374) 10.638 31.279 ( -0.850 0.000 -3.763) 3.858 31.410 ( 0.646 0.000 3.621) 3.678 31.459 ( 15.720 0.000 -5.407) 16.624 32.179 ( -12.684 0.000 8.772) 15.421 32.762 ( -1.703 0.000 -0.803) 1.883 33.340 ( -5.758 0.000 -2.445) 6.256 33.581 ( 1.753 0.000 0.749) 1.906 33.987 ( -2.770 0.000 0.313) 2.787 34.263 ( 7.260 0.000 3.814) 8.201 34.854 ( 2.768 0.000 -5.940) 6.553 35.222 ( 5.417 0.000 -3.360) 6.375 35.468 ( -3.830 0.000 3.801) 5.396 36.514 ( 3.137 0.000 0.422) 3.165 37.205 ( 2.626 0.000 2.799) 3.838 37.292 ( 9.144 0.000 1.311) 9.237 37.820 ( -4.992 0.000 -0.766) 5.051 38.172 ( 5.607 0.000 0.150) 5.609 38.202 ( -13.178 -0.000 -6.783) 14.822 38.251 ( 4.361 0.000 3.088) 5.343 38.553 ( -5.078 0.000 3.541) 6.191 38.984 ( 2.521 0.000 -2.757) 3.736 39.134 ( 1.130 0.000 1.298) 1.721 39.365 ( -8.621 0.000 -2.873) 9.087 39.579 ( -4.264 0.000 0.162) 4.267 49.060 ( -1.238 0.000 0.165) 1.249 49.262 ( 0.422 0.000 -0.423) 0.598 49.517 ( -0.250 0.000 0.346) 0.427 49.658 ( 1.585 0.000 -0.259) 1.606 86.573 ( 1.028 0.000 -1.260) 1.626 86.651 ( -0.439 0.000 0.666) 0.797 87.364 ( 14.224 0.000 0.882) 14.251 87.379 ( 16.458 -0.000 0.142) 16.459 89.326 ( -2.168 -0.000 -0.693) 2.276 89.327 ( -0.240 0.000 3.070) 3.079 89.409 ( -0.972 0.000 7.142) 7.208 89.565 ( -3.443 0.000 -1.012) 3.588 89.842 ( -1.856 0.000 -0.244) 1.872 90.007 ( -0.849 0.000 -6.601) 6.656 91.534 ( 0.534 0.000 -5.085) 5.113 91.904 ( 7.255 0.000 5.841) 9.314 91.999 ( 1.878 0.000 11.019) 11.178 92.483 ( -7.297 0.000 -5.479) 9.125 92.964 ( -3.420 0.000 3.021) 4.563 93.310 ( -3.193 0.000 -8.938) 9.491 95.018 ( -0.578 0.000 -1.446) 1.557 95.696 ( -0.579 0.000 1.928) 2.013 95.968 ( 0.068 0.000 -0.147) 0.162 96.309 ( 0.313 0.000 1.640) 1.669 96.703 ( 2.129 0.000 -0.589) 2.209 96.846 ( 0.318 0.000 0.965) 1.016 97.127 ( 0.458 0.000 0.235) 0.515 99.063 ( -11.648 0.000 -3.213) 12.083 ======================= Grid point 34 (20/125) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 5.503 0.000 -0.212) 5.507 3.077 ( -2.271 0.000 2.088) 3.085 3.234 ( -1.359 0.000 0.184) 1.371 3.329 ( 12.869 -0.000 12.872) 18.201 3.512 ( -2.945 0.000 -6.063) 6.740 3.782 ( -10.633 -0.000 -6.370) 12.395 3.842 ( 10.771 0.000 8.201) 13.538 4.037 ( -2.129 -0.000 2.658) 3.406 4.177 ( -12.261 0.000 -7.393) 14.318 4.346 ( 2.828 0.000 -0.120) 2.830 4.625 ( -0.014 0.000 -4.441) 4.441 4.786 ( 3.019 0.000 -3.440) 4.577 4.864 ( -1.503 0.000 3.053) 3.402 4.940 ( 2.914 0.000 2.546) 3.870 5.281 ( 3.733 -0.000 3.228) 4.935 5.442 ( 12.392 0.000 -2.080) 12.566 5.476 ( 2.025 -0.000 -6.623) 6.926 5.737 ( -0.598 -0.000 0.061) 0.601 5.738 ( 3.194 0.000 1.393) 3.484 5.827 ( 2.794 0.000 -1.911) 3.385 5.906 ( 0.673 0.000 -0.036) 0.674 6.034 ( 8.132 0.000 -0.690) 8.161 6.208 ( -8.840 0.000 -0.201) 8.843 6.234 ( -4.263 0.000 -1.064) 4.394 6.490 ( 2.722 0.000 1.601) 3.158 6.620 ( -1.501 0.000 5.243) 5.454 6.653 ( -5.847 -0.000 -0.909) 5.917 6.985 ( 4.115 0.000 -3.064) 5.130 7.065 ( 6.549 0.000 0.276) 6.554 7.297 ( -5.098 0.000 1.024) 5.200 7.420 ( 6.070 0.000 4.901) 7.801 7.576 ( 5.470 0.000 6.958) 8.851 7.652 ( -13.009 -0.000 -5.485) 14.118 7.929 ( -9.439 0.000 -7.821) 12.258 8.745 ( 15.519 0.000 -0.686) 15.534 8.794 ( 7.070 -0.000 3.098) 7.719 8.950 ( -9.004 0.000 -1.088) 9.070 9.073 ( -17.107 -0.000 2.257) 17.255 9.205 ( -5.125 0.000 -3.805) 6.383 9.578 ( -4.555 0.000 2.568) 5.229 10.239 ( -2.729 0.000 -0.164) 2.734 11.182 ( 0.895 0.000 0.815) 1.211 11.965 ( -1.107 0.000 -0.044) 1.108 12.290 ( 2.547 0.000 -0.291) 2.564 12.640 ( -0.547 0.000 0.134) 0.563 12.790 ( 4.423 0.000 1.149) 4.569 12.893 ( 1.780 0.000 -0.038) 1.780 13.159 ( 3.027 0.000 -3.001) 4.262 13.252 ( -3.032 0.000 3.372) 4.535 13.437 ( -5.329 -0.000 -1.162) 5.454 15.671 ( 0.935 0.000 0.428) 1.028 15.716 ( 4.079 0.000 0.062) 4.079 15.765 ( -0.160 0.000 -1.428) 1.437 15.870 ( -1.949 0.000 0.880) 2.138 15.974 ( 0.758 0.000 1.236) 1.450 16.022 ( -0.574 0.000 -0.882) 1.053 16.272 ( -2.625 0.000 -1.392) 2.971 16.505 ( 1.246 0.000 1.162) 1.704 16.784 ( -0.813 0.000 -0.291) 0.864 17.066 ( -1.609 0.000 -0.905) 1.846 17.290 ( 1.421 0.000 0.328) 1.458 17.553 ( 1.312 0.000 1.018) 1.661 21.728 ( 0.440 0.000 -1.597) 1.657 21.851 ( -1.386 0.000 3.356) 3.630 22.180 ( 3.610 0.000 3.451) 4.994 22.279 ( 0.100 0.000 -1.100) 1.104 22.309 ( 0.907 0.000 -1.298) 1.584 22.375 ( -4.196 0.000 -1.421) 4.430 22.597 ( 0.827 0.000 0.593) 1.018 22.758 ( -1.828 0.000 -2.283) 2.925 22.920 ( 1.137 0.000 0.590) 1.281 23.370 ( 0.810 0.000 -1.083) 1.352 23.378 ( 4.940 -0.000 -0.549) 4.970 23.457 ( -2.318 0.000 1.774) 2.919 23.787 ( -0.480 0.000 0.919) 1.037 23.803 ( -3.043 0.000 -1.410) 3.354 24.543 ( -2.381 0.000 -1.699) 2.925 24.666 ( -0.076 0.000 0.332) 0.341 24.783 ( -0.696 0.000 0.045) 0.698 26.070 ( 3.251 0.000 -0.570) 3.301 26.480 ( 1.719 0.000 0.130) 1.724 26.564 ( 3.729 0.000 -0.834) 3.821 27.153 ( 5.091 -0.000 3.792) 6.348 27.208 ( -2.259 0.000 2.337) 3.250 27.425 ( 2.312 0.000 -1.235) 2.621 27.866 ( 3.411 -0.000 -1.622) 3.777 27.888 ( 1.195 0.000 0.192) 1.211 28.172 ( 6.459 0.000 0.101) 6.460 28.454 ( -7.318 0.000 -1.019) 7.389 28.597 ( 10.920 0.000 -1.832) 11.073 28.662 ( -6.066 -0.000 1.970) 6.377 29.211 ( -1.233 0.000 2.327) 2.634 29.709 ( 10.508 0.000 -13.688) 17.256 29.847 ( -11.768 0.000 16.282) 20.090 30.154 ( -1.294 0.000 -5.927) 6.066 30.161 ( 0.840 0.000 0.387) 0.925 30.214 ( -9.416 0.000 2.085) 9.644 30.371 ( -5.032 0.000 -1.334) 5.206 31.250 ( -0.548 0.000 -1.775) 1.858 31.429 ( 0.102 0.000 1.628) 1.632 31.714 ( 15.732 0.000 -9.066) 18.157 31.961 ( -15.393 0.000 10.552) 18.662 32.735 ( -0.755 0.000 -0.338) 0.827 33.263 ( -1.738 0.000 -1.155) 2.087 33.607 ( 0.695 0.000 0.325) 0.767 33.947 ( -1.363 0.000 0.196) 1.377 34.381 ( 3.276 0.000 1.944) 3.810 34.864 ( 0.775 0.000 -3.039) 3.136 35.312 ( 6.034 0.000 -4.427) 7.484 35.402 ( -5.342 0.000 4.635) 7.072 36.562 ( 1.526 0.000 0.131) 1.531 37.248 ( 1.060 0.000 0.802) 1.329 37.527 ( 14.745 0.000 4.741) 15.488 37.750 ( -2.100 0.000 -0.170) 2.107 37.860 ( -17.854 0.000 -6.049) 18.851 38.316 ( 8.407 -0.000 -2.007) 8.643 38.319 ( 1.682 0.000 1.248) 2.094 38.453 ( -7.389 0.000 2.907) 7.940 39.015 ( 1.510 0.000 -1.280) 1.980 39.156 ( 0.582 0.000 0.616) 0.847 39.248 ( -2.934 0.000 -1.087) 3.129 39.512 ( -2.350 0.000 0.058) 2.350 49.044 ( -0.469 0.000 0.071) 0.475 49.266 ( 0.187 0.000 -0.190) 0.267 49.515 ( -0.113 0.000 0.157) 0.193 49.678 ( 0.615 0.000 -0.111) 0.625 86.583 ( 0.487 0.000 -0.568) 0.748 86.657 ( 0.331 0.000 0.283) 0.435 87.560 ( 5.809 0.000 0.378) 5.821 87.610 ( 7.155 -0.000 -0.231) 7.158 89.296 ( -0.744 0.000 -0.264) 0.789 89.332 ( -0.147 0.000 0.935) 0.947 89.426 ( -0.461 0.000 4.563) 4.587 89.507 ( -1.945 0.000 -0.507) 2.010 89.831 ( 0.303 0.000 0.578) 0.653 89.951 ( -1.618 0.000 -4.371) 4.661 91.524 ( 0.208 0.000 -1.953) 1.964 92.069 ( 1.131 0.000 5.015) 5.141 92.090 ( 9.306 0.000 7.228) 11.783 92.298 ( -9.298 0.000 -7.049) 11.668 92.917 ( -2.030 0.000 0.902) 2.221 93.236 ( -1.156 0.000 -3.938) 4.104 95.007 ( -0.140 0.000 -0.550) 0.567 95.693 ( -0.340 0.000 0.722) 0.798 95.969 ( 0.031 0.000 -0.066) 0.072 96.323 ( 0.322 0.000 0.747) 0.814 96.728 ( 0.746 0.000 -0.258) 0.790 96.853 ( 0.091 0.000 0.507) 0.515 97.136 ( 0.318 0.000 0.048) 0.321 98.888 ( -5.049 0.000 -1.402) 5.240 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 34.928 0.000 26.234) 43.683 0.863 ( -5.494 0.000 44.862) 45.197 1.192 ( -13.366 0.000 62.407) 63.822 2.910 ( -1.155 0.000 -13.807) 13.855 3.562 ( -12.039 0.000 5.159) 13.098 3.757 ( -1.961 0.000 7.385) 7.641 3.970 ( -1.627 0.000 4.463) 4.750 4.141 ( 6.542 0.000 -1.634) 6.743 4.400 ( -0.612 0.000 4.927) 4.965 4.409 ( -5.027 0.000 -5.020) 7.104 4.685 ( -0.899 0.000 0.741) 1.165 4.885 ( -1.608 0.000 -2.816) 3.242 4.914 ( 0.926 0.000 -0.088) 0.930 4.981 ( 5.092 0.000 -2.091) 5.505 5.086 ( 4.028 0.000 6.134) 7.339 5.498 ( -1.422 0.000 2.239) 2.653 5.517 ( -0.775 0.000 0.850) 1.150 5.605 ( -1.865 0.000 -1.955) 2.702 5.756 ( 7.625 0.000 -5.685) 9.511 5.844 ( 1.134 0.000 5.596) 5.710 5.855 ( -0.488 0.000 -0.741) 0.887 6.334 ( 25.425 0.000 -3.899) 25.722 6.562 ( -1.231 0.000 -8.784) 8.870 6.601 ( 7.647 0.000 -9.698) 12.350 6.854 ( -15.521 0.000 2.494) 15.720 6.886 ( -7.535 0.000 -10.423) 12.862 6.989 ( -2.770 0.000 -7.133) 7.651 7.075 ( 21.231 0.000 2.092) 21.334 7.279 ( 9.252 0.000 2.226) 9.516 7.293 ( -18.898 0.000 -0.239) 18.899 7.496 ( -8.848 0.000 -7.931) 11.882 7.616 ( -9.527 0.000 -5.846) 11.178 7.938 ( 8.873 0.000 8.699) 12.426 7.948 ( 11.954 0.000 9.084) 15.014 8.701 ( 3.701 0.000 -2.287) 4.351 8.721 ( -0.375 0.000 -0.358) 0.518 8.846 ( 5.543 0.000 2.323) 6.010 9.431 ( -0.032 0.000 -3.987) 3.988 9.775 ( 2.351 0.000 -1.860) 2.998 10.027 ( -0.772 0.000 -2.048) 2.188 10.096 ( 2.421 0.000 1.860) 3.053 10.319 ( 1.746 0.000 -0.154) 1.753 12.050 ( -1.173 0.000 -0.037) 1.174 12.106 ( -1.017 0.000 -0.132) 1.025 12.242 ( 1.891 0.000 2.232) 2.926 12.392 ( 1.800 0.000 0.482) 1.864 12.707 ( -1.095 0.000 2.606) 2.827 13.053 ( 0.689 0.000 -1.147) 1.339 13.136 ( -9.659 0.000 4.996) 10.874 13.861 ( 0.432 0.000 -3.212) 3.241 15.587 ( 1.406 0.000 -1.120) 1.798 15.623 ( -0.268 0.000 -0.638) 0.692 15.810 ( -2.204 0.000 0.562) 2.274 15.914 ( 3.175 0.000 -2.111) 3.813 16.178 ( -0.995 0.000 -0.896) 1.339 16.372 ( 1.966 0.000 3.297) 3.838 16.487 ( -1.300 0.000 -6.645) 6.771 16.692 ( -4.234 0.000 0.774) 4.304 16.779 ( -0.044 0.000 -0.685) 0.687 16.976 ( -1.689 0.000 1.600) 2.327 17.068 ( -1.485 0.000 3.719) 4.005 17.381 ( 2.489 0.000 -2.608) 3.606 22.014 ( -2.766 0.000 2.823) 3.952 22.019 ( -0.849 0.000 1.278) 1.534 22.214 ( -0.859 0.000 0.652) 1.079 22.232 ( 5.489 0.000 -1.149) 5.608 22.434 ( 2.223 0.000 0.168) 2.229 22.530 ( -1.938 0.000 2.956) 3.534 22.759 ( -1.550 0.000 -1.492) 2.152 22.789 ( -2.714 0.000 -1.297) 3.007 23.078 ( 1.456 0.000 3.866) 4.131 23.130 ( -1.061 0.000 -0.150) 1.072 23.540 ( 0.951 0.000 -0.359) 1.016 23.622 ( -2.442 0.000 3.005) 3.873 23.696 ( -0.441 0.000 -1.713) 1.769 23.920 ( 2.978 0.000 0.702) 3.060 24.629 ( -1.594 0.000 -5.970) 6.179 25.051 ( -9.658 0.000 4.951) 10.853 25.175 ( -1.202 0.000 4.962) 5.105 25.683 ( -1.166 0.000 -10.506) 10.570 25.867 ( -0.542 0.000 8.595) 8.612 26.219 ( 10.044 0.000 -7.947) 12.808 26.504 ( -5.613 0.000 9.375) 10.927 27.417 ( -1.825 0.000 -0.246) 1.841 27.547 ( -2.503 0.000 -7.151) 7.576 27.569 ( -17.405 0.000 -4.412) 17.956 27.890 ( -0.892 0.000 -6.205) 6.269 28.687 ( 6.661 0.000 1.585) 6.847 28.865 ( -3.592 0.000 1.271) 3.810 28.985 ( 30.016 0.000 -2.844) 30.150 28.990 ( 7.727 0.000 -10.717) 13.212 29.123 ( 9.280 0.000 -0.686) 9.305 29.625 ( 3.553 0.000 2.433) 4.306 29.743 ( -3.888 0.000 4.378) 5.856 30.060 ( -2.702 0.000 -3.063) 4.084 30.147 ( 13.175 0.000 2.244) 13.365 30.319 ( 1.293 0.000 3.698) 3.918 30.386 ( 0.865 0.000 -0.314) 0.920 30.745 ( -3.080 0.000 2.076) 3.714 31.238 ( -1.666 0.000 6.050) 6.275 31.880 ( -6.655 0.000 -5.702) 8.763 32.085 ( 3.261 0.000 -13.667) 14.050 32.704 ( 8.219 0.000 2.879) 8.709 33.007 ( -12.259 0.000 13.212) 18.023 33.039 ( -0.021 0.000 2.834) 2.834 33.738 ( -0.368 0.000 1.618) 1.660 34.617 ( -0.019 0.000 2.493) 2.494 34.824 ( 0.649 0.000 0.809) 1.037 34.957 ( -1.710 0.000 0.691) 1.844 35.375 ( 2.459 0.000 -0.913) 2.623 36.311 ( 4.256 0.000 3.699) 5.639 36.595 ( -1.364 0.000 -1.830) 2.282 37.504 ( -2.565 0.000 6.495) 6.983 37.777 ( 1.658 0.000 0.436) 1.714 38.030 ( 2.166 0.000 1.186) 2.469 38.447 ( 0.379 0.000 -1.657) 1.699 38.530 ( 3.266 0.000 -4.320) 5.415 38.621 ( 2.189 0.000 -4.569) 5.067 39.015 ( -0.009 0.000 1.451) 1.451 39.121 ( -8.609 0.000 -0.117) 8.610 39.482 ( -0.879 0.000 -0.276) 0.921 39.623 ( 1.479 0.000 -1.794) 2.325 49.193 ( -0.010 0.000 1.033) 1.033 49.413 ( -10.290 0.000 0.850) 10.325 49.435 ( -0.275 0.000 -2.286) 2.303 49.515 ( 0.919 0.000 0.257) 0.954 86.580 ( -1.611 0.000 -0.751) 1.778 86.632 ( 3.875 0.000 -3.051) 4.932 86.786 ( -5.988 0.000 4.721) 7.625 87.196 ( 15.265 0.000 -1.872) 15.379 89.421 ( 0.972 0.000 2.222) 2.426 89.487 ( -0.588 0.000 -0.752) 0.954 89.583 ( -0.805 0.000 2.329) 2.465 89.816 ( 1.375 0.000 -2.018) 2.442 90.524 ( 22.652 0.000 3.858) 22.978 90.995 ( 11.583 0.000 1.690) 11.705 91.256 ( 7.022 0.000 -4.069) 8.115 91.327 ( -1.077 0.000 -1.997) 2.269 92.121 ( -1.087 0.000 -1.812) 2.113 92.245 ( 0.167 0.000 0.792) 0.810 92.734 ( -3.105 0.000 6.800) 7.475 93.919 ( -6.464 0.000 -15.361) 16.666 95.277 ( -6.653 0.000 1.896) 6.918 95.725 ( -5.317 0.000 15.845) 16.714 95.857 ( -0.039 0.000 -6.898) 6.898 96.111 ( -0.225 0.000 6.511) 6.515 96.765 ( 2.694 0.000 3.014) 4.042 97.008 ( -0.756 0.000 -4.710) 4.770 97.259 ( 9.522 0.000 -2.419) 9.825 97.273 ( -1.486 0.000 -5.223) 5.430 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 8.041 0.000 38.370) 39.204 1.284 ( -3.035 0.000 55.809) 55.891 1.409 ( 43.709 0.000 22.889) 49.339 2.931 ( 11.184 0.000 -17.248) 20.556 3.253 ( -23.399 0.000 7.244) 24.494 3.777 ( -8.153 0.000 9.052) 12.183 3.957 ( 7.040 0.000 1.873) 7.285 4.167 ( 3.770 0.000 -14.679) 15.155 4.417 ( -0.156 0.000 4.972) 4.974 4.468 ( 6.772 0.000 -1.021) 6.849 4.655 ( -3.135 0.000 1.769) 3.600 4.936 ( 7.181 0.000 -4.345) 8.393 4.954 ( 3.317 0.000 1.366) 3.587 5.051 ( 3.226 0.000 -2.933) 4.360 5.206 ( 4.257 0.000 7.469) 8.597 5.418 ( -7.681 0.000 2.940) 8.224 5.500 ( -1.207 0.000 1.501) 1.926 5.524 ( -5.355 0.000 -1.460) 5.550 5.729 ( -9.908 0.000 -2.776) 10.289 5.790 ( 0.647 0.000 -7.456) 7.484 5.948 ( 6.817 0.000 5.849) 8.982 6.414 ( -7.717 0.000 -2.583) 8.138 6.490 ( -1.822 0.000 -12.361) 12.495 6.548 ( -13.639 0.000 7.615) 15.620 6.670 ( -10.646 0.000 -9.485) 14.258 6.789 ( 6.040 0.000 -5.118) 7.916 6.937 ( 2.312 0.000 -9.683) 9.955 6.944 ( -0.463 0.000 2.636) 2.676 7.245 ( -11.157 0.000 3.981) 11.846 7.337 ( -4.592 0.000 -0.300) 4.602 7.552 ( 17.206 0.000 -9.187) 19.505 7.700 ( 17.987 0.000 -3.630) 18.350 8.159 ( 10.588 0.000 7.251) 12.833 8.200 ( 10.931 0.000 4.521) 11.829 8.716 ( -0.261 0.000 1.614) 1.635 8.729 ( 0.382 0.000 -0.784) 0.872 8.936 ( 1.781 0.000 -6.465) 6.706 9.396 ( -1.638 0.000 -5.508) 5.746 9.571 ( -19.295 0.000 4.022) 19.710 9.929 ( -9.131 0.000 0.551) 9.148 10.077 ( -4.888 0.000 0.253) 4.895 10.319 ( -1.467 0.000 -0.082) 1.469 11.990 ( -4.150 0.000 -0.450) 4.175 12.016 ( -6.013 0.000 0.116) 6.014 12.328 ( 4.836 0.000 3.183) 5.790 12.502 ( 6.593 0.000 0.673) 6.627 12.690 ( -1.012 0.000 1.319) 1.662 13.034 ( -2.009 0.000 -0.747) 2.143 13.103 ( 0.275 0.000 4.455) 4.463 13.846 ( -0.341 0.000 -3.476) 3.493 15.619 ( 2.387 0.000 -0.677) 2.481 15.650 ( 3.391 0.000 -1.176) 3.589 15.769 ( -2.298 0.000 0.044) 2.299 15.967 ( 2.730 0.000 -3.842) 4.714 16.176 ( 1.147 0.000 -1.578) 1.950 16.447 ( 3.944 0.000 5.082) 6.433 16.459 ( 0.881 0.000 -4.839) 4.919 16.637 ( -2.204 0.000 -0.829) 2.354 16.769 ( -1.090 0.000 -0.767) 1.333 16.945 ( -1.327 0.000 -0.576) 1.447 17.039 ( -2.842 0.000 3.126) 4.224 17.426 ( 2.988 0.000 -1.107) 3.186 21.977 ( -2.000 0.000 1.304) 2.387 21.998 ( -1.506 0.000 0.641) 1.636 22.218 ( 0.590 0.000 -0.254) 0.642 22.277 ( 1.403 0.000 3.919) 4.163 22.477 ( 0.754 0.000 2.527) 2.637 22.517 ( 0.337 0.000 2.257) 2.282 22.554 ( -13.245 0.000 7.827) 15.385 22.742 ( -2.542 0.000 -2.647) 3.670 23.057 ( -5.620 0.000 -1.114) 5.729 23.141 ( 2.003 0.000 6.218) 6.533 23.523 ( -2.408 0.000 1.057) 2.630 23.560 ( 0.089 0.000 1.981) 1.983 23.705 ( 1.827 0.000 -1.727) 2.514 24.004 ( 4.480 0.000 2.299) 5.036 24.592 ( 0.309 0.000 -8.288) 8.294 25.066 ( -0.314 0.000 2.819) 2.837 25.179 ( -0.940 0.000 5.313) 5.396 25.601 ( -1.887 0.000 -10.122) 10.297 25.916 ( 1.564 0.000 8.784) 8.923 26.395 ( 12.676 0.000 -13.589) 18.583 26.531 ( 2.960 0.000 12.788) 13.126 27.373 ( 1.047 0.000 -5.022) 5.130 27.537 ( 4.914 0.000 -0.544) 4.944 27.554 ( 7.557 0.000 -5.370) 9.271 27.913 ( 5.357 0.000 -8.443) 9.999 28.695 ( -10.006 0.000 6.370) 11.862 28.930 ( 12.764 0.000 -9.097) 15.674 28.949 ( -7.890 0.000 2.868) 8.395 29.018 ( 0.186 0.000 -4.789) 4.793 29.385 ( 4.532 0.000 -11.108) 11.997 29.654 ( -7.878 0.000 7.745) 11.048 29.829 ( 12.414 0.000 1.132) 12.466 29.942 ( -6.872 0.000 -5.642) 8.891 30.320 ( -2.372 0.000 -1.263) 2.687 30.328 ( 5.885 0.000 -6.141) 8.505 30.452 ( 4.350 0.000 1.181) 4.507 30.747 ( 0.968 0.000 2.611) 2.785 31.222 ( -3.385 0.000 9.145) 9.752 31.409 ( -29.311 0.000 10.923) 31.280 32.101 ( 6.418 0.000 -18.536) 19.616 32.806 ( -8.056 0.000 12.481) 14.855 32.866 ( 0.427 0.000 4.190) 4.212 33.010 ( -3.560 0.000 1.850) 4.012 33.767 ( 2.127 0.000 2.217) 3.072 34.605 ( -2.470 0.000 3.504) 4.287 34.871 ( -6.945 0.000 -1.797) 7.174 34.905 ( 5.197 0.000 -0.843) 5.265 35.407 ( 0.798 0.000 0.979) 1.263 36.532 ( 13.246 0.000 -8.628) 15.808 36.604 ( 2.956 0.000 -1.015) 3.126 37.530 ( 2.693 0.000 4.293) 5.068 37.840 ( 3.716 0.000 2.629) 4.552 38.083 ( 1.931 0.000 2.208) 2.934 38.297 ( -12.789 0.000 7.240) 14.695 38.510 ( -3.549 0.000 -2.317) 4.239 38.620 ( 0.357 0.000 -3.361) 3.380 38.971 ( -2.306 0.000 0.211) 2.316 38.993 ( -3.504 0.000 1.879) 3.976 39.486 ( 1.676 0.000 -1.020) 1.962 39.622 ( -0.766 0.000 -0.934) 1.207 49.196 ( -0.087 0.000 1.068) 1.072 49.340 ( -0.101 0.000 1.620) 1.623 49.416 ( -0.489 0.000 -2.279) 2.331 49.536 ( 1.020 0.000 0.435) 1.109 86.562 ( 0.879 0.000 -2.626) 2.769 86.669 ( 1.114 0.000 -2.466) 2.706 86.785 ( 3.983 0.000 3.346) 5.201 88.001 ( 47.018 0.000 -30.583) 56.089 89.442 ( -0.068 0.000 3.568) 3.569 89.453 ( -2.368 0.000 -1.010) 2.575 89.569 ( -1.687 0.000 1.880) 2.526 89.810 ( -0.814 0.000 -1.451) 1.664 90.769 ( 6.341 0.000 0.878) 6.402 91.249 ( 15.031 0.000 -21.517) 26.247 91.285 ( -0.772 0.000 -4.987) 5.047 91.369 ( 4.887 0.000 -0.537) 4.916 92.117 ( 1.293 0.000 1.015) 1.644 92.213 ( -3.827 0.000 0.181) 3.831 92.670 ( -6.268 0.000 3.717) 7.287 93.415 ( -31.592 0.000 16.813) 35.787 95.335 ( 6.908 0.000 -5.018) 8.539 95.764 ( -0.149 0.000 15.339) 15.340 95.835 ( 0.869 0.000 -5.716) 5.782 96.124 ( -1.405 0.000 5.698) 5.869 96.818 ( 0.714 0.000 4.233) 4.293 96.901 ( -9.305 0.000 -2.876) 9.739 97.198 ( -3.946 0.000 3.084) 5.008 97.232 ( 0.342 0.000 -6.431) 6.441 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 9.583 0.000 29.064) 30.603 1.470 ( -3.031 0.000 53.133) 53.219 2.287 ( 38.768 0.000 13.537) 41.063 2.840 ( -24.915 0.000 14.291) 28.722 3.135 ( 18.693 0.000 -18.164) 26.064 3.570 ( -14.402 0.000 6.191) 15.676 4.198 ( 7.739 0.000 -20.001) 21.446 4.212 ( 13.777 0.000 7.002) 15.454 4.435 ( 0.381 0.000 3.019) 3.043 4.519 ( -1.249 0.000 -0.763) 1.463 4.604 ( -2.483 0.000 1.548) 2.926 5.019 ( 1.656 0.000 0.606) 1.764 5.022 ( 1.661 0.000 -9.206) 9.355 5.038 ( -2.117 0.000 -3.366) 3.977 5.233 ( -7.314 0.000 3.504) 8.110 5.290 ( -4.855 0.000 5.633) 7.437 5.414 ( -8.035 0.000 -1.731) 8.219 5.458 ( -1.343 0.000 4.603) 4.795 5.643 ( 6.161 0.000 -1.651) 6.378 5.791 ( 1.376 0.000 0.525) 1.473 6.132 ( 9.575 0.000 6.491) 11.568 6.321 ( -3.731 0.000 5.263) 6.451 6.361 ( -5.715 0.000 -15.059) 16.107 6.363 ( -8.549 0.000 2.792) 8.993 6.448 ( -7.811 0.000 -6.408) 10.103 6.678 ( -7.362 0.000 -3.300) 8.067 6.972 ( 5.464 0.000 -8.292) 9.930 7.084 ( -7.007 0.000 2.320) 7.381 7.133 ( 10.222 0.000 -5.297) 11.513 7.305 ( 1.276 0.000 2.413) 2.729 7.800 ( 15.932 0.000 -7.778) 17.730 8.070 ( 22.174 0.000 -1.534) 22.227 8.357 ( 5.193 0.000 -4.183) 6.669 8.375 ( 8.809 0.000 4.052) 9.696 8.720 ( -1.390 0.000 2.767) 3.097 8.738 ( 1.083 0.000 5.505) 5.610 8.877 ( -3.848 0.000 -3.979) 5.535 9.197 ( -22.480 0.000 2.199) 22.587 9.309 ( -4.740 0.000 -7.493) 8.866 9.719 ( -13.726 0.000 2.617) 13.974 9.946 ( -7.970 0.000 -0.719) 8.002 10.269 ( -3.274 0.000 -1.320) 3.530 11.921 ( -2.702 0.000 -0.636) 2.775 11.929 ( -3.448 0.000 0.557) 3.493 12.415 ( 2.471 0.000 2.837) 3.762 12.547 ( -2.022 0.000 1.867) 2.752 12.731 ( 5.076 0.000 -1.924) 5.429 12.988 ( -2.212 0.000 -0.781) 2.346 13.125 ( -0.325 0.000 4.509) 4.520 13.822 ( -0.325 0.000 -3.371) 3.386 15.657 ( 1.745 0.000 -2.078) 2.713 15.724 ( 5.039 0.000 -1.861) 5.371 15.738 ( -0.935 0.000 2.244) 2.431 15.978 ( 0.414 0.000 -2.906) 2.936 16.192 ( 1.272 0.000 -1.998) 2.369 16.460 ( 1.115 0.000 -3.357) 3.537 16.557 ( 4.990 0.000 6.042) 7.836 16.601 ( -0.896 0.000 -2.047) 2.235 16.722 ( -3.613 0.000 -0.698) 3.680 16.925 ( -0.192 0.000 -2.191) 2.200 17.008 ( -1.880 0.000 2.270) 2.948 17.467 ( 1.549 0.000 -0.337) 1.585 21.959 ( -0.440 0.000 0.417) 0.606 21.984 ( 0.019 0.000 -0.190) 0.191 22.221 ( -0.376 0.000 0.470) 0.602 22.319 ( -4.748 0.000 11.937) 12.847 22.419 ( -0.069 0.000 -0.923) 0.925 22.472 ( -1.254 0.000 1.746) 2.150 22.567 ( 2.108 0.000 3.083) 3.735 22.668 ( -4.083 0.000 -2.919) 5.019 22.953 ( -4.307 0.000 -0.966) 4.414 23.199 ( 0.577 0.000 7.339) 7.361 23.509 ( -0.045 0.000 0.172) 0.178 23.586 ( 1.406 0.000 1.518) 2.070 23.733 ( 1.950 0.000 -1.841) 2.682 24.075 ( 1.575 0.000 2.147) 2.662 24.556 ( 0.574 0.000 -9.549) 9.567 25.043 ( -3.295 0.000 7.215) 7.932 25.186 ( -1.223 0.000 5.535) 5.669 25.553 ( 1.855 0.000 -8.083) 8.293 25.986 ( 1.212 0.000 8.078) 8.168 26.412 ( -3.122 0.000 -6.909) 7.582 26.821 ( 22.397 0.000 -0.107) 22.397 27.393 ( 3.640 0.000 -7.074) 7.956 27.638 ( 5.425 0.000 0.229) 5.429 27.784 ( 17.764 0.000 0.515) 17.771 27.994 ( 7.977 0.000 -9.196) 12.173 28.457 ( -18.110 0.000 4.251) 18.602 28.838 ( -4.599 0.000 2.252) 5.121 28.862 ( -8.152 0.000 -13.955) 16.161 29.198 ( 11.999 0.000 -0.221) 12.001 29.338 ( -4.303 0.000 -7.463) 8.615 29.570 ( -3.691 0.000 5.270) 6.434 29.811 ( -4.183 0.000 -0.469) 4.209 29.973 ( 2.946 0.000 0.778) 3.047 30.203 ( -7.960 0.000 -5.948) 9.937 30.315 ( -5.341 0.000 -1.009) 5.435 30.520 ( 2.438 0.000 5.018) 5.578 30.790 ( 1.979 0.000 4.138) 4.586 31.083 ( -11.269 0.000 7.077) 13.307 31.199 ( -4.714 0.000 11.326) 12.268 32.138 ( 7.854 0.000 -23.037) 24.339 32.665 ( -9.117 0.000 6.404) 11.141 32.950 ( 2.408 0.000 10.233) 10.513 32.956 ( -2.345 0.000 0.149) 2.349 33.818 ( 1.802 0.000 2.620) 3.180 34.564 ( -3.908 0.000 2.727) 4.766 34.724 ( -6.467 0.000 -1.258) 6.588 34.965 ( 1.632 0.000 -1.087) 1.961 35.432 ( 1.719 0.000 0.402) 1.765 36.675 ( 7.159 0.000 -7.239) 10.181 36.676 ( 4.272 0.000 0.850) 4.356 37.636 ( 6.784 0.000 2.268) 7.153 37.909 ( 0.277 0.000 7.680) 7.685 38.088 ( -2.753 0.000 1.257) 3.026 38.140 ( -6.753 0.000 5.328) 8.602 38.417 ( -4.293 0.000 -3.040) 5.260 38.630 ( 2.387 0.000 -1.654) 2.904 38.906 ( -6.430 0.000 1.154) 6.533 39.000 ( 4.601 0.000 -3.205) 5.607 39.525 ( 2.732 0.000 -1.008) 2.912 39.592 ( -2.006 0.000 -0.511) 2.070 49.200 ( 0.001 0.000 0.749) 0.749 49.361 ( 1.191 0.000 0.868) 1.474 49.400 ( -0.100 0.000 -2.041) 2.044 49.552 ( 0.480 0.000 0.320) 0.577 86.575 ( 1.850 0.000 -3.203) 3.699 86.681 ( 1.664 0.000 -3.103) 3.521 86.908 ( 6.359 0.000 5.255) 8.250 88.509 ( 24.590 0.000 -20.378) 31.936 89.402 ( -2.438 0.000 -0.770) 2.557 89.451 ( -1.022 0.000 4.415) 4.532 89.543 ( -1.805 0.000 1.494) 2.343 89.784 ( -1.071 0.000 -0.892) 1.393 90.852 ( 3.300 0.000 -1.261) 3.533 91.238 ( -1.018 0.000 -8.246) 8.308 91.295 ( 1.643 0.000 -20.233) 20.299 91.429 ( 1.668 0.000 0.367) 1.708 92.128 ( -3.766 0.000 -2.855) 4.726 92.188 ( 4.861 0.000 4.716) 6.773 92.549 ( -7.804 0.000 1.317) 7.914 93.084 ( -15.667 0.000 22.276) 27.233 95.411 ( 4.614 0.000 -7.313) 8.647 95.836 ( 1.761 0.000 -4.114) 4.475 95.837 ( 0.370 0.000 14.682) 14.687 96.115 ( -2.169 0.000 4.699) 5.176 96.715 ( -8.603 0.000 -1.668) 8.764 96.816 ( -2.195 0.000 0.658) 2.292 97.192 ( 0.718 0.000 0.859) 1.120 97.238 ( 2.842 0.000 -3.510) 4.517 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -9.526 0.000 44.000) 45.019 1.648 ( -1.188 0.000 21.567) 21.600 2.539 ( -12.325 0.000 17.341) 21.275 2.868 ( 12.646 0.000 13.198) 18.278 3.370 ( 5.621 0.000 -10.874) 12.241 3.410 ( 3.608 0.000 2.970) 4.673 4.237 ( 6.248 0.000 -18.919) 19.924 4.329 ( -4.860 0.000 5.703) 7.493 4.464 ( -0.728 0.000 -2.047) 2.172 4.532 ( 2.886 0.000 5.883) 6.553 4.625 ( 8.331 0.000 -3.024) 8.863 4.877 ( -6.009 0.000 -9.265) 11.043 4.952 ( -5.192 0.000 -3.467) 6.243 5.022 ( 0.697 0.000 -5.145) 5.192 5.093 ( -10.566 0.000 9.571) 14.256 5.319 ( 4.860 0.000 5.438) 7.293 5.348 ( 0.963 0.000 -0.588) 1.128 5.445 ( -4.564 0.000 5.358) 7.039 5.769 ( 3.190 0.000 -1.447) 3.502 5.848 ( 5.334 0.000 1.592) 5.566 6.162 ( -7.058 0.000 -11.118) 13.169 6.189 ( -10.886 0.000 5.197) 12.063 6.301 ( -3.152 0.000 -6.916) 7.600 6.328 ( 5.550 0.000 -3.561) 6.594 6.392 ( 6.685 0.000 6.603) 9.396 6.619 ( 3.747 0.000 4.566) 5.906 6.996 ( -3.912 0.000 0.367) 3.929 7.049 ( 6.263 0.000 -6.857) 9.287 7.198 ( 1.522 0.000 -4.868) 5.100 7.385 ( 3.338 0.000 3.683) 4.971 8.089 ( 18.650 0.000 -7.212) 19.996 8.321 ( -4.197 0.000 -8.016) 9.048 8.436 ( -2.904 0.000 -6.591) 7.202 8.462 ( 16.497 0.000 1.295) 16.548 8.674 ( -13.474 0.000 8.189) 15.768 8.792 ( 2.051 0.000 -2.250) 3.045 8.821 ( -5.982 0.000 -1.944) 6.290 8.868 ( 0.632 0.000 3.808) 3.860 9.170 ( -5.111 0.000 -4.273) 6.663 9.503 ( -8.908 0.000 3.091) 9.429 9.824 ( -4.098 0.000 -1.284) 4.295 10.198 ( -2.899 0.000 -4.187) 5.092 11.891 ( -1.187 0.000 0.671) 1.363 11.893 ( -0.032 0.000 -0.138) 0.142 12.436 ( -1.122 0.000 1.245) 1.677 12.509 ( -2.065 0.000 1.727) 2.692 12.793 ( 2.282 0.000 -3.717) 4.362 12.953 ( -0.948 0.000 -1.434) 1.719 13.144 ( 0.097 0.000 6.173) 6.174 13.809 ( 0.633 0.000 -2.854) 2.923 15.646 ( -0.864 0.000 -3.278) 3.390 15.769 ( 1.727 0.000 4.627) 4.939 15.800 ( 3.735 0.000 -2.306) 4.389 15.961 ( -0.729 0.000 -2.372) 2.482 16.201 ( 0.734 0.000 -2.180) 2.300 16.462 ( 0.239 0.000 -1.412) 1.432 16.600 ( 2.187 0.000 -1.653) 2.741 16.623 ( -3.751 0.000 -1.241) 3.951 16.696 ( 3.732 0.000 7.938) 8.771 16.914 ( 0.221 0.000 -3.307) 3.314 16.983 ( -1.766 0.000 0.242) 1.783 17.476 ( -0.360 0.000 -0.695) 0.782 21.963 ( 0.614 0.000 0.161) 0.635 21.999 ( 1.582 0.000 -0.220) 1.597 22.204 ( -1.932 0.000 1.380) 2.375 22.224 ( -7.437 0.000 7.707) 10.710 22.468 ( 0.730 0.000 -0.054) 0.732 22.508 ( 6.009 0.000 0.612) 6.041 22.571 ( -4.464 0.000 -2.642) 5.187 22.593 ( -1.225 0.000 3.651) 3.850 22.905 ( -0.738 0.000 -0.212) 0.768 23.221 ( -1.687 0.000 6.118) 6.347 23.512 ( -0.116 0.000 1.099) 1.105 23.612 ( 0.537 0.000 1.173) 1.289 23.759 ( 1.792 0.000 -1.562) 2.377 24.078 ( -1.648 0.000 0.620) 1.760 24.540 ( 2.624 0.000 -8.983) 9.359 25.045 ( -0.831 0.000 11.929) 11.958 25.184 ( -1.637 0.000 5.211) 5.462 25.590 ( 4.867 0.000 -5.111) 7.058 26.022 ( -1.243 0.000 7.059) 7.167 26.289 ( -5.165 0.000 -9.179) 10.532 27.274 ( 26.552 0.000 -2.936) 26.714 27.430 ( 3.872 0.000 -7.134) 8.117 27.718 ( 2.684 0.000 1.454) 3.053 28.005 ( -16.417 0.000 7.237) 17.942 28.116 ( 8.509 0.000 -5.812) 10.305 28.228 ( 10.298 0.000 0.482) 10.310 28.604 ( -11.385 0.000 -9.769) 15.002 28.815 ( 1.257 0.000 -2.126) 2.470 29.174 ( -8.368 0.000 -5.437) 9.980 29.285 ( -0.926 0.000 -9.425) 9.471 29.565 ( 1.063 0.000 -1.578) 1.903 29.800 ( -0.945 0.000 5.209) 5.294 29.968 ( -2.442 0.000 -1.985) 3.146 30.081 ( 0.456 0.000 1.753) 1.811 30.186 ( -7.579 0.000 2.248) 7.905 30.579 ( 0.807 0.000 4.633) 4.703 30.853 ( 2.676 0.000 3.703) 4.569 31.002 ( -1.751 0.000 3.751) 4.140 31.150 ( -5.989 0.000 11.561) 13.020 32.169 ( 7.160 0.000 -23.546) 24.610 32.555 ( -4.787 0.000 2.974) 5.636 32.922 ( -1.199 0.000 -2.011) 2.341 33.033 ( 0.530 0.000 13.168) 13.178 33.850 ( 0.252 0.000 2.732) 2.743 34.483 ( -3.840 0.000 -1.420) 4.095 34.676 ( 0.022 0.000 4.571) 4.571 34.958 ( -1.198 0.000 -2.333) 2.623 35.466 ( 1.692 0.000 -0.489) 1.761 36.747 ( 3.844 0.000 -4.867) 6.201 36.747 ( 2.228 0.000 2.303) 3.204 37.780 ( 7.155 0.000 0.784) 7.198 37.899 ( -5.581 0.000 11.812) 13.064 38.004 ( -6.063 0.000 1.312) 6.203 38.098 ( -0.163 0.000 -0.322) 0.361 38.345 ( -1.354 0.000 -4.162) 4.377 38.662 ( -0.069 0.000 -3.703) 3.704 38.808 ( -2.558 0.000 2.019) 3.259 39.079 ( 4.909 0.000 -2.184) 5.373 39.550 ( -1.933 0.000 -0.784) 2.086 39.563 ( 1.604 0.000 -0.614) 1.717 49.201 ( -0.189 0.000 0.471) 0.508 49.388 ( 1.202 0.000 1.707) 2.088 49.395 ( 0.502 0.000 -1.725) 1.796 49.555 ( -0.190 0.000 -0.032) 0.192 86.594 ( 1.604 0.000 -3.118) 3.506 86.686 ( 0.438 0.000 -4.524) 4.545 87.042 ( 3.828 0.000 9.283) 10.041 88.795 ( 15.181 0.000 -8.894) 17.594 89.367 ( -0.795 0.000 -0.504) 0.941 89.444 ( -1.869 0.000 3.985) 4.402 89.524 ( -0.908 0.000 1.397) 1.666 89.772 ( 0.089 0.000 0.082) 0.121 90.868 ( 1.398 0.000 -13.818) 13.888 91.171 ( -6.094 0.000 -10.363) 12.022 91.176 ( -0.633 0.000 -11.247) 11.264 91.441 ( -0.324 0.000 0.578) 0.663 92.073 ( 0.325 0.000 -6.140) 6.148 92.319 ( 6.057 0.000 2.686) 6.626 92.418 ( -6.516 0.000 4.644) 8.001 92.989 ( -6.795 0.000 21.684) 22.724 95.447 ( 3.034 0.000 -6.702) 7.356 95.861 ( 2.643 0.000 -2.647) 3.741 95.912 ( 0.345 0.000 14.702) 14.706 96.090 ( -2.646 0.000 3.677) 4.530 96.576 ( -5.342 0.000 -3.654) 6.472 96.759 ( -2.667 0.000 -3.696) 4.557 97.202 ( -0.083 0.000 -0.681) 0.686 97.288 ( 2.979 0.000 -0.035) 2.979 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -21.331 0.000 39.894) 45.239 1.560 ( -17.644 0.000 18.686) 25.700 2.418 ( -18.407 0.000 4.887) 19.044 2.938 ( -1.988 0.000 24.082) 24.164 3.418 ( 6.189 0.000 1.561) 6.383 3.522 ( 1.724 0.000 -1.793) 2.487 4.216 ( -7.280 0.000 0.241) 7.284 4.238 ( 1.134 0.000 -18.050) 18.085 4.511 ( -4.576 0.000 2.992) 5.468 4.553 ( 9.010 0.000 -0.412) 9.020 4.723 ( 0.813 0.000 -6.849) 6.897 4.832 ( 7.597 0.000 -7.404) 10.608 4.936 ( -9.610 0.000 10.859) 14.500 4.995 ( 9.621 0.000 3.786) 10.339 5.033 ( 3.084 0.000 -5.320) 6.149 5.322 ( -8.517 0.000 1.675) 8.680 5.400 ( 3.607 0.000 1.286) 3.829 5.468 ( 5.815 0.000 6.787) 8.937 5.735 ( -4.439 0.000 -2.443) 5.067 5.935 ( -1.104 0.000 -3.751) 3.910 6.000 ( -7.586 0.000 5.579) 9.417 6.003 ( -5.054 0.000 -8.240) 9.666 6.170 ( -5.545 0.000 -8.472) 10.125 6.453 ( 10.403 0.000 0.646) 10.423 6.622 ( 11.920 0.000 8.031) 14.373 6.810 ( 10.456 0.000 7.465) 12.847 6.916 ( -4.036 0.000 -3.645) 5.439 7.131 ( 4.729 0.000 -3.466) 5.863 7.190 ( 0.513 0.000 -3.494) 3.531 7.422 ( -1.722 0.000 5.896) 6.143 8.111 ( -12.562 0.000 -9.921) 16.008 8.212 ( -14.489 0.000 -6.476) 15.871 8.298 ( -3.687 0.000 -10.613) 11.235 8.469 ( 3.506 0.000 0.917) 3.624 8.627 ( -11.769 0.000 -5.968) 13.195 8.665 ( 0.279 0.000 0.960) 1.000 8.817 ( 5.447 0.000 -0.494) 5.469 9.045 ( 9.837 0.000 9.027) 13.352 9.283 ( 17.035 0.000 0.383) 17.040 9.450 ( 1.210 0.000 -0.462) 1.296 9.796 ( 1.963 0.000 -1.504) 2.473 10.136 ( -0.514 0.000 -6.859) 6.878 11.888 ( 0.713 0.000 0.489) 0.864 11.914 ( 1.931 0.000 0.704) 2.056 12.395 ( -3.229 0.000 -0.364) 3.249 12.499 ( 0.075 0.000 1.177) 1.179 12.776 ( -1.957 0.000 -3.091) 3.658 12.942 ( 0.734 0.000 -2.016) 2.146 13.189 ( 1.387 0.000 6.708) 6.850 13.819 ( 1.637 0.000 -2.458) 2.954 15.614 ( -0.960 0.000 -2.744) 2.907 15.817 ( -1.394 0.000 -1.397) 1.973 15.820 ( 1.117 0.000 4.762) 4.892 15.943 ( 0.582 0.000 -3.186) 3.238 16.204 ( 0.745 0.000 -1.717) 1.872 16.461 ( 0.799 0.000 -1.832) 1.999 16.526 ( -5.395 0.000 -0.863) 5.464 16.667 ( 4.990 0.000 1.259) 5.147 16.810 ( 3.335 0.000 7.752) 8.439 16.897 ( -0.457 0.000 -3.844) 3.871 16.945 ( -1.491 0.000 -1.225) 1.930 17.450 ( -1.684 0.000 -1.777) 2.448 21.973 ( 0.041 0.000 0.186) 0.191 22.027 ( 0.517 0.000 1.508) 1.594 22.142 ( -4.955 0.000 5.790) 7.621 22.179 ( -0.171 0.000 -0.209) 0.270 22.483 ( -2.990 0.000 -0.403) 3.017 22.494 ( 0.999 0.000 0.397) 1.075 22.561 ( -3.059 0.000 2.554) 3.985 22.625 ( 5.651 0.000 -0.107) 5.652 22.917 ( 2.016 0.000 0.775) 2.159 23.197 ( -3.260 0.000 4.063) 5.209 23.508 ( -1.189 0.000 2.110) 2.422 23.614 ( -1.003 0.000 1.130) 1.511 23.780 ( 0.771 0.000 -0.642) 1.004 24.032 ( -2.885 0.000 -1.465) 3.236 24.568 ( 4.225 0.000 -7.087) 8.251 25.130 ( 3.235 0.000 14.734) 15.085 25.178 ( -1.421 0.000 4.604) 4.818 25.662 ( 4.518 0.000 -2.573) 5.199 26.002 ( -4.102 0.000 5.461) 6.830 26.162 ( -3.238 0.000 -11.042) 11.507 27.462 ( 2.802 0.000 -6.203) 6.807 27.501 ( -20.009 0.000 -2.249) 20.135 27.758 ( 0.911 0.000 3.202) 3.330 27.824 ( 19.763 0.000 2.435) 19.912 28.192 ( -15.476 0.000 -1.268) 15.528 28.206 ( 0.865 0.000 0.002) 0.865 28.668 ( 15.671 0.000 -0.604) 15.683 28.774 ( -3.472 0.000 -4.466) 5.657 29.129 ( 8.183 0.000 -8.468) 11.776 29.133 ( -6.142 0.000 -20.076) 20.994 29.561 ( -1.371 0.000 5.936) 6.092 29.834 ( 3.931 0.000 5.277) 6.580 29.878 ( -4.916 0.000 -8.100) 9.475 30.068 ( -5.850 0.000 -0.320) 5.858 30.192 ( 5.220 0.000 2.982) 6.012 30.582 ( -2.217 0.000 2.694) 3.489 30.921 ( 3.343 0.000 1.928) 3.859 31.024 ( 1.130 0.000 7.108) 7.197 31.108 ( -4.183 0.000 12.713) 13.383 32.176 ( 4.634 0.000 -20.541) 21.057 32.528 ( 0.814 0.000 0.889) 1.206 32.891 ( -0.405 0.000 -3.268) 3.293 33.084 ( -1.919 0.000 14.112) 14.242 33.851 ( -1.580 0.000 2.863) 3.270 34.451 ( 0.978 0.000 -0.488) 1.093 34.739 ( 3.703 0.000 5.420) 6.564 34.914 ( -1.641 0.000 -4.057) 4.377 35.480 ( 0.019 0.000 -0.727) 0.727 36.769 ( 0.893 0.000 -5.054) 5.132 36.770 ( -1.132 0.000 2.908) 3.121 37.804 ( -6.446 0.000 1.658) 6.656 37.849 ( -4.662 0.000 8.967) 10.106 37.978 ( 3.681 0.000 1.274) 3.895 38.093 ( -0.842 0.000 1.372) 1.610 38.335 ( 2.427 0.000 -4.749) 5.333 38.577 ( -4.053 0.000 -5.503) 6.835 38.853 ( 4.249 0.000 1.311) 4.447 39.142 ( 1.709 0.000 1.215) 2.097 39.525 ( 0.252 0.000 -2.194) 2.208 39.573 ( -0.373 0.000 -0.085) 0.383 49.198 ( -0.374 0.000 0.332) 0.500 49.402 ( 1.102 0.000 -1.428) 1.803 49.422 ( 1.318 0.000 2.941) 3.223 49.545 ( -0.724 0.000 -0.489) 0.873 86.601 ( 0.622 0.000 -2.739) 2.808 86.655 ( -1.293 0.000 -4.760) 4.933 87.108 ( -2.429 0.000 11.298) 11.556 89.012 ( 11.328 0.000 -0.571) 11.343 89.375 ( 1.819 0.000 -0.073) 1.821 89.421 ( -2.084 0.000 1.365) 2.492 89.526 ( 0.406 0.000 1.629) 1.679 89.789 ( 1.295 0.000 1.071) 1.680 90.727 ( -4.610 0.000 -39.455) 39.724 91.025 ( -6.978 0.000 2.455) 7.398 91.122 ( 0.966 0.000 -12.201) 12.239 91.427 ( -1.204 0.000 -0.337) 1.251 92.083 ( 3.440 0.000 -5.375) 6.381 92.285 ( -3.896 0.000 -3.946) 5.546 92.497 ( 5.078 0.000 12.185) 13.201 93.019 ( -1.517 0.000 24.365) 24.412 95.465 ( 2.243 0.000 -5.834) 6.251 95.905 ( 3.167 0.000 -2.655) 4.133 95.985 ( 0.326 0.000 13.451) 13.455 96.054 ( -2.876 0.000 3.508) 4.536 96.483 ( -2.799 0.000 -3.582) 4.546 96.702 ( -1.065 0.000 -4.963) 5.076 97.177 ( -1.992 0.000 -1.553) 2.526 97.333 ( 1.440 0.000 0.927) 1.712 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -25.298 0.000 23.658) 34.636 1.270 ( -23.303 0.000 41.113) 47.258 1.790 ( -43.841 0.000 -1.047) 43.853 3.212 ( 13.225 0.000 30.517) 33.259 3.345 ( -11.692 0.000 -6.383) 13.321 3.659 ( 10.723 0.000 8.385) 13.612 4.076 ( -9.719 0.000 0.499) 9.731 4.132 ( -2.198 0.000 -16.447) 16.593 4.433 ( -4.873 0.000 4.054) 6.339 4.660 ( 3.622 0.000 -3.826) 5.268 4.666 ( -0.447 0.000 -4.124) 4.148 4.894 ( -1.213 0.000 5.423) 5.557 4.950 ( 2.143 0.000 -10.610) 10.824 5.126 ( 6.214 0.000 5.353) 8.202 5.135 ( -4.332 0.000 0.852) 4.415 5.250 ( 7.542 0.000 4.602) 8.835 5.462 ( 2.255 0.000 0.447) 2.299 5.576 ( 2.791 0.000 3.803) 4.717 5.609 ( -6.811 0.000 -5.188) 8.562 5.803 ( -0.400 0.000 -2.823) 2.851 5.904 ( -3.199 0.000 -2.131) 3.844 5.963 ( -4.805 0.000 -4.453) 6.551 6.110 ( 4.169 0.000 -1.940) 4.598 6.640 ( 5.742 0.000 1.282) 5.883 6.834 ( 3.689 0.000 -6.238) 7.248 6.907 ( 10.918 0.000 8.163) 13.632 6.955 ( 1.253 0.000 1.579) 2.016 7.168 ( 0.651 0.000 -4.425) 4.472 7.217 ( 2.111 0.000 -0.539) 2.179 7.393 ( -3.656 0.000 12.165) 12.702 7.829 ( -11.465 0.000 -7.543) 13.723 7.895 ( -13.697 0.000 -8.927) 16.350 8.111 ( -8.030 0.000 -9.701) 12.594 8.269 ( -18.094 0.000 -8.373) 19.937 8.581 ( 4.964 0.000 -1.093) 5.083 8.712 ( 0.742 0.000 3.321) 3.403 8.939 ( 5.282 0.000 -4.505) 6.942 9.279 ( 11.321 0.000 9.147) 14.555 9.444 ( 1.105 0.000 -1.799) 2.111 9.663 ( 18.716 0.000 -0.275) 18.718 9.878 ( 7.134 0.000 -2.176) 7.459 10.140 ( 4.655 0.000 -6.275) 7.813 11.930 ( 3.815 0.000 0.487) 3.846 11.963 ( 2.784 0.000 1.043) 2.972 12.325 ( -3.842 0.000 -0.676) 3.901 12.499 ( -1.265 0.000 -0.476) 1.352 12.721 ( -2.340 0.000 0.083) 2.342 12.966 ( 2.904 0.000 -1.974) 3.511 13.247 ( 1.425 0.000 5.994) 6.161 13.841 ( 1.860 0.000 -2.523) 3.135 15.589 ( -0.488 0.000 -2.251) 2.304 15.749 ( -4.706 0.000 -0.439) 4.726 15.847 ( -0.414 0.000 3.734) 3.757 15.944 ( 0.892 0.000 -4.375) 4.465 16.214 ( 0.649 0.000 -0.239) 0.692 16.424 ( -5.085 0.000 -0.709) 5.135 16.479 ( 2.486 0.000 -3.583) 4.361 16.784 ( 5.360 0.000 5.893) 7.966 16.832 ( -2.401 0.000 0.554) 2.464 16.860 ( -1.074 0.000 -4.909) 5.026 16.975 ( 3.383 0.000 4.378) 5.533 17.405 ( -1.771 0.000 -2.841) 3.348 21.967 ( -0.675 0.000 2.478) 2.568 22.023 ( -1.281 0.000 2.265) 2.602 22.092 ( -3.328 0.000 4.938) 5.955 22.209 ( 2.758 0.000 -0.258) 2.770 22.458 ( -3.874 0.000 -0.047) 3.874 22.472 ( 1.428 0.000 2.605) 2.970 22.550 ( -0.253 0.000 2.293) 2.307 22.717 ( 4.494 0.000 -0.367) 4.509 22.988 ( 4.958 0.000 1.422) 5.158 23.146 ( -3.720 0.000 2.166) 4.305 23.493 ( -1.674 0.000 3.552) 3.927 23.589 ( -2.014 0.000 1.380) 2.441 23.774 ( -1.318 0.000 -0.123) 1.323 23.965 ( -3.146 0.000 -2.879) 4.265 24.615 ( 3.606 0.000 -5.253) 6.372 25.176 ( -1.086 0.000 4.331) 4.465 25.282 ( 5.295 0.000 13.233) 14.253 25.722 ( 3.113 0.000 -3.214) 4.474 25.929 ( -5.858 0.000 3.734) 6.947 26.080 ( 0.099 0.000 -9.601) 9.601 27.055 ( -23.665 0.000 0.169) 23.666 27.469 ( 0.473 0.000 -4.312) 4.338 27.801 ( 2.122 0.000 5.700) 6.082 27.902 ( -13.635 0.000 -2.673) 13.894 28.122 ( -7.814 0.000 1.226) 7.909 28.253 ( 21.329 0.000 1.729) 21.399 28.757 ( 1.509 0.000 -1.465) 2.103 28.851 ( 3.554 0.000 -6.176) 7.125 28.957 ( -1.724 0.000 -12.402) 12.521 29.265 ( 10.317 0.000 -21.053) 23.445 29.623 ( 4.463 0.000 7.500) 8.727 29.711 ( -6.850 0.000 -15.395) 16.850 29.965 ( 6.089 0.000 5.995) 8.545 29.975 ( -3.840 0.000 0.776) 3.917 30.237 ( 0.243 0.000 -0.913) 0.945 30.524 ( -4.684 0.000 -0.251) 4.690 30.951 ( -2.385 0.000 0.276) 2.401 31.135 ( 1.018 0.000 11.994) 12.037 31.135 ( 6.600 0.000 16.244) 17.533 32.151 ( 1.984 0.000 -16.060) 16.183 32.578 ( 3.938 0.000 -0.927) 4.046 32.901 ( 3.110 0.000 -1.542) 3.471 33.095 ( -3.866 0.000 14.140) 14.659 33.819 ( -3.185 0.000 2.645) 4.141 34.502 ( 3.753 0.000 1.185) 3.936 34.844 ( 4.854 0.000 3.978) 6.276 34.872 ( -0.483 0.000 -4.854) 4.878 35.459 ( -1.859 0.000 -0.981) 2.102 36.719 ( -3.322 0.000 -9.370) 9.941 36.734 ( -3.883 0.000 2.084) 4.407 37.671 ( -8.477 0.000 4.989) 9.836 37.814 ( -2.604 0.000 3.815) 4.619 38.028 ( 0.455 0.000 -0.512) 0.685 38.101 ( 0.312 0.000 8.702) 8.707 38.384 ( 5.132 0.000 -5.131) 7.258 38.526 ( 1.938 0.000 -5.495) 5.826 38.934 ( 3.886 0.000 0.196) 3.891 39.144 ( -2.661 0.000 4.768) 5.460 39.544 ( 3.025 0.000 -3.366) 4.525 39.551 ( -1.953 0.000 0.409) 1.996 49.192 ( -0.370 0.000 0.410) 0.553 49.420 ( 1.459 0.000 -1.292) 1.949 49.466 ( 1.802 0.000 4.014) 4.399 49.526 ( -0.938 0.000 -0.789) 1.225 86.592 ( -0.255 0.000 -2.315) 2.329 86.609 ( -0.993 0.000 -4.024) 4.144 87.053 ( -8.513 0.000 9.995) 13.129 89.211 ( 9.672 0.000 -0.008) 9.672 89.351 ( -5.812 0.000 -12.218) 13.530 89.426 ( 3.215 0.000 0.435) 3.244 89.549 ( 0.974 0.000 2.066) 2.284 89.814 ( 0.766 0.000 -2.616) 2.726 90.321 ( -15.644 0.000 -47.724) 50.223 90.934 ( -5.084 0.000 5.502) 7.491 91.108 ( 3.588 0.000 -10.882) 11.458 91.397 ( -1.592 0.000 -1.342) 2.082 92.140 ( 4.394 0.000 -2.388) 5.001 92.211 ( -2.536 0.000 -2.818) 3.791 92.633 ( 3.549 0.000 10.971) 11.531 93.177 ( 6.089 0.000 29.810) 30.426 95.476 ( 1.761 0.000 -5.688) 5.954 95.931 ( 1.222 0.000 -6.556) 6.669 96.026 ( -1.537 0.000 3.433) 3.762 96.036 ( -0.899 0.000 6.728) 6.788 96.465 ( 1.469 0.000 8.424) 8.551 96.682 ( 1.065 0.000 -3.375) 3.539 97.120 ( -3.047 0.000 -1.832) 3.555 97.345 ( -0.337 0.000 -0.162) 0.373 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -46.028 0.000 -3.276) 46.145 0.931 ( -21.608 0.000 36.159) 42.123 1.231 ( -22.735 0.000 55.503) 59.979 3.082 ( -10.972 0.000 -8.973) 14.173 3.563 ( 7.788 0.000 20.203) 21.652 3.866 ( -12.127 0.000 5.392) 13.272 3.880 ( 8.167 0.000 5.865) 10.055 4.060 ( 2.319 0.000 -9.208) 9.495 4.397 ( -1.591 0.000 4.467) 4.742 4.610 ( -8.235 0.000 -5.239) 9.760 4.685 ( 1.899 0.000 -1.935) 2.711 4.893 ( 0.022 0.000 2.024) 2.024 4.913 ( 2.736 0.000 -8.110) 8.559 5.055 ( -2.947 0.000 2.956) 4.174 5.061 ( -13.054 0.000 -0.291) 13.058 5.429 ( 7.107 0.000 3.109) 7.757 5.490 ( 1.781 0.000 0.366) 1.819 5.554 ( 3.870 0.000 4.017) 5.578 5.614 ( 0.943 0.000 -0.370) 1.013 5.845 ( -1.561 0.000 3.753) 4.064 5.851 ( -3.210 0.000 3.667) 4.874 5.970 ( 13.623 0.000 -8.173) 15.886 6.279 ( 15.697 0.000 2.463) 15.889 6.628 ( -2.469 0.000 -4.840) 5.434 6.923 ( -2.429 0.000 -0.650) 2.514 6.955 ( 8.678 0.000 -6.374) 10.768 7.065 ( -3.504 0.000 2.719) 4.436 7.108 ( -13.179 0.000 4.629) 13.968 7.133 ( 3.910 0.000 -6.550) 7.628 7.503 ( 6.015 0.000 6.139) 8.594 7.639 ( -9.093 0.000 -9.957) 13.484 7.727 ( 3.504 0.000 1.873) 3.973 7.918 ( -16.068 0.000 -4.859) 16.787 7.935 ( -6.647 0.000 -8.852) 11.070 8.649 ( 3.270 0.000 -1.562) 3.624 8.727 ( -0.121 0.000 0.857) 0.866 8.894 ( -6.841 0.000 -3.569) 7.716 9.443 ( 0.455 0.000 -3.348) 3.379 9.548 ( 13.597 0.000 8.056) 15.805 9.947 ( 10.681 0.000 1.528) 10.789 10.000 ( 6.673 0.000 -2.705) 7.200 10.236 ( 6.929 0.000 -2.373) 7.325 12.022 ( 2.983 0.000 0.707) 3.066 12.031 ( 6.375 0.000 0.577) 6.401 12.257 ( -3.189 0.000 0.425) 3.218 12.436 ( -4.361 0.000 -0.660) 4.411 12.706 ( -0.420 0.000 2.436) 2.472 13.019 ( 3.287 0.000 -1.587) 3.650 13.275 ( -1.964 0.000 1.664) 2.574 13.859 ( 1.339 0.000 -2.843) 3.143 15.578 ( 0.359 0.000 -1.716) 1.753 15.665 ( -3.763 0.000 -0.332) 3.778 15.841 ( -1.620 0.000 2.021) 2.590 15.924 ( -0.830 0.000 -4.616) 4.690 16.210 ( -1.476 0.000 0.332) 1.513 16.355 ( -1.596 0.000 0.546) 1.687 16.510 ( 2.881 0.000 -7.004) 7.573 16.783 ( -4.407 0.000 -0.897) 4.497 16.792 ( -1.239 0.000 -0.967) 1.572 16.929 ( 5.456 0.000 4.062) 6.802 17.048 ( 1.598 0.000 4.765) 5.026 17.371 ( -0.134 0.000 -2.907) 2.911 22.018 ( -0.230 0.000 1.718) 1.734 22.022 ( 3.509 0.000 7.545) 8.321 22.070 ( 1.044 0.000 5.495) 5.593 22.236 ( -0.849 0.000 1.346) 1.591 22.411 ( -0.048 0.000 -1.319) 1.320 22.547 ( -1.343 0.000 3.048) 3.331 22.573 ( 8.467 0.000 7.132) 11.071 22.782 ( 2.499 0.000 -0.250) 2.511 23.090 ( 4.559 0.000 1.008) 4.669 23.091 ( -2.662 0.000 0.614) 2.732 23.492 ( -0.059 0.000 7.115) 7.115 23.570 ( -0.521 0.000 2.754) 2.803 23.734 ( -2.433 0.000 -0.894) 2.592 23.907 ( -1.243 0.000 -1.868) 2.244 24.645 ( 2.071 0.000 -4.367) 4.834 25.176 ( -1.205 0.000 4.561) 4.717 25.357 ( -5.254 0.000 -1.750) 5.538 25.731 ( 0.804 0.000 -8.337) 8.376 25.852 ( -3.294 0.000 5.899) 6.756 26.099 ( 5.684 0.000 -4.960) 7.544 26.684 ( -16.594 0.000 2.773) 16.824 27.443 ( -1.555 0.000 -1.158) 1.939 27.680 ( -8.597 0.000 -4.882) 9.886 27.851 ( -0.169 0.000 -6.982) 6.984 28.097 ( 3.379 0.000 10.972) 11.480 28.553 ( 9.305 0.000 2.201) 9.562 28.599 ( -16.720 0.000 -18.865) 25.208 28.860 ( 8.544 0.000 -17.116) 19.130 28.929 ( -2.268 0.000 3.696) 4.336 29.198 ( -2.867 0.000 -22.219) 22.403 29.599 ( -0.031 0.000 -0.066) 0.073 29.733 ( 2.935 0.000 4.108) 5.049 29.968 ( 2.741 0.000 5.167) 5.849 30.066 ( 1.952 0.000 2.557) 3.217 30.257 ( 2.670 0.000 2.195) 3.456 30.427 ( -4.399 0.000 -1.409) 4.619 30.849 ( -7.642 0.000 1.290) 7.750 31.211 ( 1.411 0.000 6.954) 7.096 31.484 ( 22.470 0.000 25.090) 33.681 32.108 ( 1.073 0.000 -12.872) 12.917 32.635 ( 2.625 0.000 -2.891) 3.905 32.980 ( 4.515 0.000 1.614) 4.794 33.081 ( -4.769 0.000 14.090) 14.875 33.767 ( -3.240 0.000 1.908) 3.760 34.577 ( 3.067 0.000 1.995) 3.659 34.853 ( 0.287 0.000 -4.323) 4.333 34.934 ( 2.926 0.000 2.388) 3.777 35.403 ( -3.183 0.000 -2.623) 4.125 36.518 ( -13.849 0.000 -12.541) 18.684 36.658 ( -4.363 0.000 -0.210) 4.368 37.558 ( -6.567 0.000 7.171) 9.724 37.781 ( -1.560 0.000 -0.536) 1.649 38.013 ( -0.470 0.000 -0.838) 0.961 38.245 ( 10.232 0.000 15.306) 18.411 38.464 ( 5.855 0.000 -5.300) 7.898 38.575 ( 4.745 0.000 -4.822) 6.765 38.991 ( 2.132 0.000 0.295) 2.152 39.124 ( -0.991 0.000 7.309) 7.376 39.513 ( -2.266 0.000 0.454) 2.311 39.589 ( 3.117 0.000 -2.964) 4.301 49.190 ( -0.156 0.000 0.707) 0.724 49.438 ( 1.017 0.000 -1.661) 1.947 49.509 ( -0.380 0.000 -0.472) 0.606 49.517 ( 1.074 0.000 1.291) 1.679 86.577 ( -0.056 0.000 -1.534) 1.535 86.594 ( 1.433 0.000 -3.240) 3.543 86.914 ( -9.990 0.000 7.061) 12.234 88.502 ( -72.019 0.000 -92.578) 117.293 89.372 ( 4.249 0.000 2.211) 4.790 89.477 ( 1.827 0.000 0.011) 1.827 89.575 ( 0.471 0.000 2.492) 2.536 89.778 ( 2.202 0.000 -3.358) 4.016 90.114 ( 6.846 0.000 16.286) 17.667 90.899 ( -1.342 0.000 7.113) 7.239 91.156 ( 6.233 0.000 -7.604) 9.832 91.360 ( -1.526 0.000 -1.731) 2.308 92.160 ( -1.802 0.000 -2.621) 3.181 92.208 ( 3.262 0.000 -0.042) 3.263 92.720 ( 0.515 0.000 9.334) 9.348 93.570 ( 23.239 0.000 24.861) 34.031 95.458 ( -1.585 0.000 -9.932) 10.057 95.895 ( -12.450 0.000 -3.919) 13.052 95.897 ( -0.561 0.000 -7.466) 7.487 96.074 ( 0.683 0.000 7.122) 7.154 96.708 ( 2.563 0.000 -0.267) 2.577 96.726 ( 20.747 0.000 26.333) 33.524 97.063 ( -1.866 0.000 -1.167) 2.201 97.321 ( -1.505 0.000 -2.498) 2.916 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 23.162 22.105 19.574) 37.526 1.262 ( -2.302 32.052 31.273) 44.840 1.709 ( -9.861 45.393 39.448) 60.942 2.956 ( -0.965 4.553 -12.477) 13.316 3.577 ( -9.662 2.072 2.673) 10.236 3.756 ( 0.925 -1.401 4.454) 4.760 4.002 ( -0.964 5.419 4.268) 6.965 4.254 ( 5.654 5.294 3.218) 8.388 4.292 ( -5.660 -4.159 -3.617) 7.900 4.472 ( -2.972 2.703 1.861) 4.428 4.572 ( -0.128 -7.675 3.857) 8.590 4.826 ( 2.950 -3.287 -2.513) 5.081 4.830 ( -0.033 -6.398 -4.368) 7.747 5.075 ( 2.930 -0.956 2.419) 3.918 5.231 ( -2.596 6.110 -6.544) 9.322 5.305 ( 1.348 -7.597 4.943) 9.163 5.393 ( 3.273 -7.460 -0.131) 8.148 5.502 ( 0.541 -5.144 2.136) 5.596 5.745 ( -0.564 -5.835 4.463) 7.368 5.838 ( 4.417 1.529 1.060) 4.793 6.008 ( -1.883 8.464 2.987) 9.171 6.281 ( 10.387 -2.134 -1.195) 10.672 6.393 ( -0.209 -16.587 7.521) 18.214 6.533 ( 4.034 -7.622 -4.051) 9.528 6.683 ( -4.390 0.976 -9.948) 10.917 6.852 ( -6.765 -7.392 -1.261) 10.099 6.895 ( -4.282 -1.411 3.344) 5.613 6.994 ( 2.302 -5.742 -0.307) 6.194 7.056 ( -4.187 -6.771 -3.993) 8.906 7.483 ( 12.054 1.369 -5.457) 13.302 7.511 ( -1.389 4.012 -9.812) 10.691 7.627 ( -13.974 2.530 -3.695) 14.674 8.021 ( 4.133 5.261 4.319) 7.963 8.098 ( 9.904 6.258 5.393) 12.897 8.429 ( 1.708 -15.824 -1.916) 16.030 8.633 ( -4.261 -11.400 -0.756) 12.194 9.190 ( 2.687 20.526 -3.495) 20.994 9.420 ( -0.202 -0.823 0.369) 0.924 9.694 ( -0.366 8.014 1.069) 8.093 10.111 ( 2.282 1.854 2.013) 3.563 10.197 ( -1.801 -6.212 0.827) 6.520 10.580 ( 8.079 19.103 -20.261) 28.995 12.064 ( -9.025 0.088 0.063) 9.026 12.080 ( 7.706 -0.740 1.198) 7.834 12.320 ( 0.693 5.785 1.516) 6.020 12.435 ( 1.304 3.824 0.064) 4.041 12.743 ( -0.995 4.253 1.752) 4.706 12.990 ( -1.381 -5.248 0.798) 5.485 13.161 ( -2.648 2.914 4.221) 5.772 13.912 ( -0.112 1.493 -6.619) 6.787 15.573 ( 0.937 -1.546 -1.443) 2.313 15.602 ( -0.342 -1.596 -0.056) 1.634 15.825 ( -1.859 0.834 -0.411) 2.079 15.909 ( 2.584 -0.446 -1.832) 3.199 16.165 ( -0.388 -2.617 -2.266) 3.483 16.357 ( 1.996 -1.682 3.208) 4.136 16.463 ( -1.361 -2.491 -3.215) 4.289 16.657 ( -2.773 -2.906 0.819) 4.099 16.795 ( -0.992 1.539 -2.495) 3.095 16.933 ( 1.050 -0.074 -0.426) 1.135 17.135 ( -1.598 3.064 1.580) 3.800 17.367 ( 2.737 -1.029 -1.410) 3.246 21.892 ( -1.313 -6.478 2.168) 6.957 22.087 ( 2.712 -4.690 5.591) 7.785 22.149 ( -0.761 1.421 2.208) 2.734 22.240 ( 0.008 1.048 1.260) 1.639 22.368 ( 1.936 -6.246 2.037) 6.850 22.512 ( -1.297 -0.331 1.918) 2.338 22.673 ( -3.012 -0.658 5.797) 6.565 22.764 ( -0.444 -1.860 -1.698) 2.557 23.049 ( -0.080 -2.334 2.511) 3.429 23.134 ( 0.375 -0.214 0.017) 0.432 23.475 ( -0.403 -3.569 5.121) 6.255 23.557 ( -2.261 -1.779 2.193) 3.617 23.768 ( -0.476 4.300 -2.092) 4.806 23.910 ( 2.746 -1.191 1.465) 3.333 24.628 ( -0.869 -0.029 -5.510) 5.578 25.002 ( -4.826 -4.035 5.517) 8.367 25.155 ( -2.173 -3.899 4.139) 6.087 25.701 ( -1.114 1.976 -10.536) 10.777 25.954 ( -0.576 7.696 6.819) 10.298 26.176 ( 9.962 -4.411 -8.536) 13.841 26.534 ( -5.183 2.014 9.465) 10.978 27.396 ( -1.786 -1.633 -1.301) 2.748 27.495 ( -5.323 -1.810 -5.228) 7.677 27.636 ( -6.059 3.308 -4.088) 8.023 27.858 ( 1.346 -2.191 -5.867) 6.406 28.272 ( 15.283 -24.024 12.274) 31.005 28.520 ( 6.261 -14.344 10.307) 18.740 28.764 ( -1.366 -9.953 -0.198) 10.048 28.993 ( 3.690 -2.040 -4.235) 5.976 29.420 ( 5.032 20.913 -3.388) 21.775 29.675 ( -1.240 2.895 1.570) 3.519 29.771 ( -0.677 4.715 -2.755) 5.502 29.994 ( 3.178 -1.616 -1.397) 3.829 30.128 ( -1.854 -1.016 4.010) 4.533 30.306 ( -0.295 -1.031 5.842) 5.940 30.604 ( 5.804 2.583 -4.784) 7.953 30.914 ( -3.999 14.434 -6.277) 16.240 31.276 ( -0.163 2.933 4.976) 5.778 31.701 ( -7.309 -7.779 9.730) 14.443 32.110 ( 2.697 2.620 -13.116) 13.644 32.748 ( 3.575 3.673 2.617) 5.755 32.982 ( -2.252 3.871 8.887) 9.952 33.141 ( -2.103 7.464 3.658) 8.574 34.261 ( 1.402 13.785 -20.939) 25.108 34.545 ( 0.412 -6.074 3.348) 6.948 34.829 ( -4.577 -4.907 1.146) 6.808 34.911 ( -0.434 3.485 2.027) 4.055 35.450 ( 2.453 5.057 -3.280) 6.507 36.327 ( 0.406 1.886 4.784) 5.158 36.969 ( 1.142 18.934 -20.529) 27.950 37.473 ( -2.533 -3.189 6.569) 7.729 37.800 ( -0.341 2.646 -0.222) 2.677 38.047 ( 3.088 1.343 1.415) 3.653 38.209 ( 1.611 -9.309 8.981) 13.035 38.516 ( 3.478 -1.279 -4.874) 6.123 38.790 ( -4.144 0.177 -7.198) 8.308 38.963 ( 6.420 -0.308 -3.834) 7.484 39.196 ( -6.956 1.464 -3.156) 7.777 39.511 ( -1.673 3.005 -3.918) 5.214 39.635 ( 1.202 1.066 -1.919) 2.503 49.176 ( 0.043 -1.544 0.906) 1.791 49.335 ( -3.109 -3.735 1.006) 4.963 49.473 ( -1.525 1.611 -0.433) 2.260 49.533 ( 0.212 1.613 0.146) 1.634 86.574 ( -0.818 -0.312 -0.698) 1.119 86.677 ( 3.839 2.494 -3.947) 6.044 86.810 ( -7.943 1.423 2.213) 8.367 87.169 ( 11.512 -2.673 -1.582) 11.924 89.415 ( 0.747 -0.630 1.809) 2.056 89.468 ( -0.539 -1.754 -0.026) 1.835 89.581 ( -0.298 -0.231 2.602) 2.629 89.749 ( 7.400 -11.483 8.067) 15.865 90.014 ( 4.294 -14.050 25.353) 29.302 90.636 ( -1.468 -15.468 3.822) 16.001 91.430 ( 1.201 8.513 -1.594) 8.744 91.532 ( 9.012 -0.180 -23.249) 24.936 92.164 ( 2.064 -2.247 -5.554) 6.336 92.505 ( 1.031 21.621 -7.417) 22.881 92.705 ( -5.268 -2.122 9.027) 10.665 93.441 ( -4.466 -20.864 10.250) 23.671 95.238 ( -3.196 -3.029 3.967) 5.927 95.695 ( -0.810 -0.003 10.726) 10.757 95.948 ( -2.036 6.402 -2.056) 7.026 96.113 ( 1.504 -0.214 5.039) 5.263 96.624 ( -3.449 -4.816 11.692) 13.107 96.813 ( 2.162 3.062 1.270) 3.957 96.996 ( 0.787 -1.273 -2.928) 3.288 98.641 ( 3.495 41.102 -48.980) 64.036 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 18.579 19.375 26.019) 37.384 1.480 ( 17.595 18.124 29.765) 39.039 1.831 ( 7.436 42.617 33.471) 54.698 2.976 ( 10.069 4.664 -15.209) 18.827 3.299 ( -20.477 4.870 3.471) 21.332 3.866 ( -3.793 6.952 7.948) 11.220 3.942 ( 3.377 0.131 2.041) 3.948 4.170 ( 1.133 -2.444 -13.885) 14.144 4.363 ( 2.015 -2.228 5.612) 6.365 4.516 ( 2.074 1.838 3.167) 4.208 4.587 ( 2.781 -5.288 -0.473) 5.993 4.867 ( 4.004 -5.816 -0.256) 7.066 4.924 ( 7.599 -3.818 -2.599) 8.893 5.097 ( -6.553 -2.095 -6.197) 9.259 5.170 ( 3.607 -3.780 4.493) 6.891 5.360 ( 0.514 -1.672 5.598) 5.865 5.434 ( 0.413 -0.445 -1.495) 1.614 5.466 ( -3.664 -4.179 -0.401) 5.572 5.683 ( -5.355 -2.253 2.117) 6.183 5.818 ( -2.943 0.554 -4.187) 5.147 6.030 ( 1.186 1.601 5.180) 5.550 6.283 ( -6.355 -12.493 0.976) 14.051 6.341 ( -3.585 -8.894 -0.856) 9.627 6.558 ( -2.952 0.740 -8.091) 8.644 6.649 ( -8.426 -2.528 -5.923) 10.605 6.771 ( 4.989 -1.887 -4.493) 6.974 6.838 ( 2.022 -7.705 3.689) 8.779 6.980 ( 3.031 2.855 -3.478) 5.426 7.159 ( 5.512 -8.302 4.950) 11.127 7.358 ( -9.345 3.124 -1.081) 9.912 7.477 ( 3.297 3.996 -7.675) 9.260 7.748 ( 15.983 -1.559 -5.990) 17.139 8.179 ( 9.205 0.640 5.363) 10.673 8.271 ( 7.208 4.905 3.598) 9.432 8.435 ( 0.659 -15.039 1.497) 15.127 8.619 ( 2.169 -14.344 -6.960) 16.090 9.173 ( -2.727 14.714 -1.983) 15.096 9.309 ( -11.323 -4.711 -0.495) 12.274 9.621 ( -7.153 9.788 -0.196) 12.124 10.052 ( -12.945 -0.220 -0.930) 12.981 10.102 ( -5.154 2.479 3.944) 6.947 10.549 ( -0.945 19.144 -8.739) 21.066 11.897 ( -7.584 -2.657 -0.117) 8.037 12.185 ( 1.258 9.157 -0.123) 9.244 12.317 ( 0.755 -0.446 3.236) 3.353 12.527 ( 6.492 2.594 0.241) 6.995 12.725 ( -0.940 3.646 1.140) 3.934 12.973 ( -1.105 -4.301 0.683) 4.493 13.163 ( -0.189 4.264 3.500) 5.520 13.856 ( -2.122 0.097 -4.713) 5.170 15.603 ( 3.033 -1.819 -1.485) 3.836 15.624 ( 2.560 -1.552 0.154) 2.998 15.783 ( -2.152 0.778 -0.722) 2.399 15.957 ( 2.638 -0.938 -2.743) 3.919 16.162 ( 1.024 -2.133 -1.897) 3.033 16.420 ( 1.278 -1.179 2.198) 2.803 16.440 ( 1.832 -3.384 0.373) 3.866 16.595 ( -3.533 -3.692 -1.026) 5.212 16.774 ( -0.479 0.270 -2.774) 2.828 16.938 ( -0.014 1.305 -0.873) 1.570 17.095 ( -2.609 3.592 0.948) 4.540 17.426 ( 3.531 0.002 -0.396) 3.553 21.878 ( -1.031 -5.471 1.532) 5.774 22.088 ( -1.677 4.419 0.400) 4.743 22.164 ( 0.146 -4.897 3.995) 6.321 22.276 ( 2.121 -0.041 3.067) 3.729 22.376 ( -2.355 -6.550 3.372) 7.734 22.523 ( 1.410 0.995 2.000) 2.641 22.596 ( -6.083 2.166 3.691) 7.437 22.732 ( -1.800 -0.791 -1.779) 2.652 23.018 ( -4.502 -2.861 0.503) 5.358 23.168 ( 2.554 1.363 3.720) 4.713 23.494 ( -0.454 -3.620 4.175) 5.545 23.518 ( -0.595 -1.345 -0.378) 1.519 23.748 ( -0.023 3.375 -1.999) 3.923 23.987 ( 3.777 -1.725 2.683) 4.944 24.590 ( -0.001 -0.006 -7.443) 7.443 24.991 ( -1.870 -6.030 4.288) 7.632 25.143 ( -1.856 -3.850 5.668) 7.099 25.638 ( -0.145 2.946 -10.773) 11.169 25.999 ( 1.820 7.402 6.653) 10.117 26.347 ( 13.049 -4.823 -13.510) 19.392 26.569 ( 2.714 3.727 13.028) 13.820 27.375 ( 1.682 -0.504 -3.215) 3.663 27.482 ( 5.038 -1.043 -6.772) 8.505 27.652 ( 6.289 5.356 -0.239) 8.264 27.892 ( 5.738 -1.388 -8.309) 10.192 28.462 ( -1.530 -22.654 4.651) 23.177 28.652 ( 2.123 -15.613 6.289) 16.966 28.841 ( 9.843 -14.620 -1.618) 17.699 28.990 ( -1.980 -2.904 -4.355) 5.597 29.504 ( 3.406 11.630 -4.350) 12.876 29.649 ( -2.658 2.013 3.860) 5.101 29.735 ( -0.369 5.094 1.205) 5.247 30.011 ( 0.675 3.074 -5.861) 6.652 30.109 ( -2.305 -8.565 3.766) 9.636 30.336 ( 0.317 0.809 4.780) 4.859 30.639 ( 0.639 -3.908 -0.555) 3.999 30.837 ( -3.291 14.984 -5.821) 16.409 31.282 ( -2.699 5.521 8.953) 10.859 31.456 ( -17.791 2.193 6.843) 19.187 32.092 ( 2.524 0.412 -15.772) 15.978 32.837 ( -0.458 3.046 8.758) 9.283 32.902 ( -5.719 4.510 6.123) 9.515 33.156 ( 1.477 10.387 0.679) 10.513 34.056 ( -9.106 16.852 -8.182) 20.829 34.543 ( -2.539 -5.317 3.878) 7.054 34.747 ( -5.370 -9.276 -0.136) 10.719 34.973 ( 5.387 5.180 -1.359) 7.596 35.477 ( 0.842 4.861 -1.003) 5.034 36.428 ( 7.529 -2.083 1.469) 7.948 36.896 ( 0.097 16.191 -12.481) 20.443 37.500 ( 2.653 -3.142 4.560) 6.140 37.826 ( 1.768 -0.822 3.712) 4.193 38.094 ( 1.288 0.998 1.462) 2.189 38.248 ( -2.716 -2.630 6.951) 7.912 38.493 ( -3.744 -1.488 -2.628) 4.810 38.674 ( -4.124 -0.055 -6.395) 7.610 38.952 ( -4.925 1.889 -1.966) 5.630 39.054 ( -2.439 3.003 -0.033) 3.869 39.467 ( -0.292 -1.339 -0.992) 1.692 39.628 ( -0.911 0.449 -1.197) 1.570 49.176 ( -0.437 -1.803 1.123) 2.168 49.311 ( 0.151 -2.119 0.043) 2.125 49.449 ( -0.571 2.456 -0.751) 2.631 49.552 ( 1.223 1.421 0.119) 1.878 86.557 ( 0.385 -0.394 -2.018) 2.092 86.684 ( -0.463 1.184 -1.967) 2.342 86.790 ( 4.808 0.754 2.536) 5.487 87.854 ( 45.359 -13.352 -20.560) 51.560 89.424 ( -1.220 -1.669 1.262) 2.422 89.445 ( -1.252 -0.825 1.266) 1.962 89.571 ( -1.640 0.228 1.845) 2.479 89.818 ( 0.399 -0.082 -1.868) 1.912 90.318 ( 11.880 -35.753 25.971) 45.759 90.626 ( -1.332 -19.604 1.279) 19.691 91.432 ( 2.526 7.220 -10.937) 13.346 91.628 ( 9.278 1.351 -11.527) 14.858 92.136 ( -2.465 1.903 -5.279) 6.129 92.472 ( -0.727 18.354 -6.476) 19.476 92.603 ( -9.268 -4.746 6.770) 12.420 93.295 ( -13.838 -6.767 12.685) 19.955 95.245 ( 1.745 -5.894 1.026) 6.232 95.736 ( -0.017 -0.729 8.152) 8.185 95.939 ( 0.872 7.503 2.405) 7.927 96.161 ( 1.130 1.795 3.930) 4.466 96.573 ( -6.130 -8.366 7.179) 12.614 96.865 ( 1.397 4.318 3.641) 5.819 97.019 ( 3.195 -2.797 -3.427) 5.457 98.216 ( -19.776 44.174 -27.290) 55.562 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.372 23.218 31.488) 39.268 1.878 ( 7.328 28.455 30.565) 42.398 2.357 ( 27.958 11.133 15.555) 33.875 2.921 ( -21.778 8.863 9.713) 25.440 3.163 ( 16.670 3.086 -16.683) 23.785 3.680 ( -10.544 9.296 5.527) 15.104 4.151 ( 7.436 -3.111 -8.980) 12.067 4.199 ( 9.531 -1.954 -1.730) 9.882 4.404 ( 0.342 -2.604 5.106) 5.742 4.513 ( -0.149 -1.262 -0.105) 1.275 4.676 ( 3.575 0.374 -3.293) 4.875 4.864 ( -5.602 -6.943 -4.606) 10.040 5.006 ( 2.449 -3.133 -1.232) 4.163 5.025 ( 1.082 0.180 1.218) 1.639 5.185 ( -3.637 -8.141 1.479) 9.038 5.318 ( -8.055 -5.163 2.321) 9.845 5.382 ( -2.022 6.785 -1.104) 7.165 5.430 ( -0.628 0.207 0.701) 0.964 5.683 ( 5.320 2.489 2.433) 6.358 5.789 ( 0.988 -0.085 0.616) 1.168 6.055 ( -1.383 -13.219 2.932) 13.611 6.170 ( -5.206 -6.375 1.328) 8.337 6.312 ( 1.879 -1.888 -6.816) 7.318 6.441 ( -10.968 0.137 2.838) 11.330 6.486 ( -0.568 5.868 -5.718) 8.213 6.710 ( -2.658 1.155 -4.697) 5.519 6.958 ( 6.372 -3.299 -7.348) 10.270 7.084 ( 4.728 -1.702 -2.161) 5.470 7.135 ( -4.883 3.528 2.636) 6.576 7.306 ( 1.509 -1.565 3.257) 3.916 7.643 ( 15.551 -8.388 -2.844) 17.896 8.012 ( 15.172 -6.132 -4.581) 16.993 8.323 ( 0.632 -4.897 -4.533) 6.703 8.380 ( 7.688 -6.564 2.696) 10.462 8.527 ( 4.157 -6.505 3.498) 8.475 8.614 ( 2.535 -9.555 -2.239) 10.135 9.037 ( -14.844 -3.032 -3.183) 15.482 9.095 ( -5.393 9.482 -0.343) 10.914 9.456 ( -9.585 6.228 -2.139) 11.629 9.777 ( -14.710 2.423 -2.286) 15.082 9.960 ( -12.001 4.977 6.252) 14.418 10.501 ( -1.216 18.146 -4.287) 18.685 11.815 ( -0.996 -2.038 -0.523) 2.328 12.132 ( -5.694 11.122 0.956) 12.531 12.377 ( 3.087 -2.202 1.606) 4.118 12.604 ( 0.604 4.721 1.405) 4.962 12.750 ( 3.780 1.953 -1.192) 4.419 12.953 ( -1.088 -2.660 0.232) 2.883 13.169 ( -0.940 3.647 3.679) 5.265 13.804 ( -1.312 -1.971 -3.628) 4.332 15.649 ( 2.054 -0.953 -2.359) 3.270 15.690 ( 3.926 -1.998 0.403) 4.423 15.755 ( -0.004 0.482 0.209) 0.525 15.970 ( 0.213 -0.909 -2.649) 2.809 16.177 ( 1.302 -1.904 -1.615) 2.816 16.416 ( -0.048 -3.412 -1.430) 3.700 16.530 ( 1.690 -3.845 4.640) 6.258 16.532 ( -0.034 -5.158 0.016) 5.158 16.741 ( -1.612 0.933 -3.404) 3.880 16.929 ( -0.539 1.996 -0.310) 2.090 17.065 ( -0.633 4.105 -0.721) 4.216 17.476 ( 1.804 0.833 -0.186) 1.996 21.869 ( -0.378 -4.867 0.400) 4.898 22.068 ( -0.589 3.952 0.435) 4.019 22.173 ( -1.464 -3.804 4.024) 5.728 22.308 ( -2.625 -1.514 3.957) 4.984 22.371 ( 2.802 -2.417 2.291) 4.352 22.510 ( -2.475 0.427 0.280) 2.527 22.562 ( -0.555 0.963 2.539) 2.771 22.689 ( -1.998 1.511 -0.642) 2.586 22.936 ( -3.485 -1.223 -0.052) 3.694 23.231 ( 1.380 2.661 5.483) 6.249 23.490 ( -0.245 -1.739 0.544) 1.839 23.544 ( 1.656 -3.481 1.856) 4.278 23.747 ( 0.798 1.176 -2.084) 2.523 24.047 ( 1.070 -2.791 2.257) 3.746 24.555 ( 0.458 -0.009 -8.700) 8.712 24.958 ( -3.593 -7.046 6.891) 10.490 25.136 ( -1.985 -4.744 6.123) 7.996 25.621 ( 3.582 5.665 -8.417) 10.760 26.061 ( 1.131 7.041 6.611) 9.724 26.411 ( -0.022 -0.807 -10.983) 11.012 26.808 ( 18.373 -0.326 3.565) 18.718 27.420 ( 4.538 1.866 -4.531) 6.678 27.591 ( 7.975 -2.873 -2.544) 8.850 27.808 ( 9.443 0.327 1.046) 9.507 28.001 ( 10.871 1.669 -7.529) 13.328 28.329 ( -12.426 -12.494 2.233) 17.762 28.679 ( -1.444 -12.348 2.420) 12.666 28.851 ( -7.993 -1.057 -5.544) 9.785 29.018 ( 6.553 -14.797 -2.478) 16.371 29.431 ( -5.613 3.235 -6.925) 9.483 29.654 ( 0.604 7.621 0.875) 7.695 29.768 ( 1.433 0.516 2.826) 3.210 29.993 ( 0.373 3.827 -4.136) 5.647 30.073 ( -2.758 -6.962 1.687) 7.676 30.352 ( -0.596 -2.412 2.963) 3.867 30.664 ( 1.529 -7.619 4.290) 8.877 30.675 ( -12.200 13.171 -0.095) 17.953 31.206 ( -8.285 10.678 8.505) 15.968 31.321 ( -1.348 7.491 6.746) 10.171 32.058 ( 2.500 -4.721 -17.430) 18.230 32.723 ( -8.858 6.514 4.740) 11.973 32.947 ( 0.753 1.795 8.167) 8.396 33.192 ( 2.922 15.238 -1.473) 15.585 33.931 ( -3.037 9.918 -0.551) 10.387 34.485 ( -5.500 -7.050 2.846) 9.383 34.652 ( -3.811 -5.409 0.770) 6.661 35.049 ( 3.334 6.572 -2.600) 7.814 35.481 ( 0.408 3.871 -0.280) 3.902 36.583 ( 8.576 -2.734 -0.546) 9.018 36.859 ( -0.152 11.048 -4.807) 12.049 37.607 ( 6.836 -2.956 2.823) 7.965 37.869 ( -0.549 -3.080 7.324) 7.964 38.112 ( -1.665 1.706 0.898) 2.548 38.147 ( -7.345 0.534 3.355) 8.092 38.409 ( -3.897 -0.730 -2.300) 4.583 38.639 ( 2.650 -0.336 -1.526) 3.077 38.863 ( -5.126 -1.628 -1.051) 5.480 39.047 ( 2.013 3.051 -2.391) 4.368 39.480 ( 1.371 -3.825 -0.459) 4.089 39.598 ( -1.514 0.073 -1.104) 1.875 49.174 ( -0.350 -2.347 0.956) 2.558 49.322 ( 0.994 -2.463 -0.855) 2.791 49.442 ( -0.072 2.752 -0.094) 2.755 49.571 ( 0.800 1.702 -0.070) 1.882 86.566 ( 1.544 -0.773 -2.546) 3.076 86.685 ( 1.321 0.213 -2.353) 2.707 86.919 ( 6.630 1.310 4.287) 8.003 88.414 ( 26.914 -9.991 -18.752) 34.290 89.385 ( -2.172 -1.583 -0.639) 2.762 89.443 ( -1.153 -0.871 4.142) 4.387 89.544 ( -1.905 0.065 1.514) 2.434 89.798 ( -1.118 1.218 -1.245) 2.069 90.564 ( -0.906 -20.220 -0.470) 20.245 90.610 ( 4.776 -38.716 10.143) 40.306 91.436 ( 4.202 8.594 -13.312) 16.393 91.724 ( 5.749 6.677 -12.518) 15.308 92.045 ( -5.623 2.420 3.544) 7.074 92.424 ( -2.012 7.674 -6.495) 10.253 92.470 ( -5.884 0.055 4.551) 7.439 93.134 ( -10.152 3.652 15.565) 18.938 95.283 ( 2.322 -9.086 -1.826) 9.555 95.761 ( -0.456 -1.932 4.566) 4.979 95.991 ( 2.068 7.489 6.265) 9.981 96.186 ( -0.129 6.080 3.596) 7.066 96.489 ( -5.358 -9.435 3.585) 11.428 96.872 ( -2.111 4.455 1.589) 5.180 97.077 ( 4.424 -3.497 -3.038) 6.406 97.846 ( -10.113 36.509 -12.169) 39.790 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -7.502 20.320 25.779) 33.671 2.087 ( -0.337 33.317 25.157) 41.749 2.644 ( -11.967 9.144 9.663) 17.894 2.752 ( 6.224 -4.749 16.830) 18.562 3.373 ( 13.076 -0.518 -15.106) 19.987 3.646 ( 1.454 19.618 8.788) 21.545 4.161 ( 2.742 -5.707 -13.341) 14.767 4.319 ( -1.202 -1.583 2.127) 2.911 4.431 ( 0.181 -3.812 1.239) 4.013 4.545 ( 3.580 -1.500 -1.620) 4.206 4.689 ( 5.385 -2.981 -6.586) 9.015 4.733 ( -5.002 -1.698 -0.456) 5.302 4.988 ( -2.075 3.539 1.339) 4.315 5.057 ( -3.019 -0.058 -8.661) 9.172 5.118 ( -5.755 2.644 9.269) 11.226 5.213 ( 1.303 -8.851 -0.846) 8.987 5.354 ( 0.938 2.851 4.411) 5.335 5.423 ( -3.184 -2.002 1.663) 4.112 5.811 ( 1.547 3.324 0.380) 3.686 5.823 ( 4.505 -1.793 0.049) 4.849 6.010 ( -3.632 -11.943 0.460) 12.491 6.172 ( 4.756 -8.474 0.762) 9.747 6.206 ( -8.809 -2.401 -1.343) 9.229 6.354 ( 0.136 1.921 -5.220) 5.564 6.467 ( -0.710 7.983 -2.374) 8.359 6.747 ( 7.929 6.323 5.226) 11.409 7.020 ( -1.325 1.360 -0.480) 1.958 7.039 ( 2.352 0.290 -7.347) 7.720 7.138 ( 0.894 -4.255 -2.906) 5.230 7.377 ( 2.603 -1.659 5.449) 6.263 7.952 ( 17.157 -12.089 -1.449) 21.039 8.190 ( -3.868 -13.611 -6.323) 15.498 8.239 ( 2.161 -10.124 -3.667) 10.983 8.430 ( -11.021 -16.675 3.040) 20.218 8.549 ( 7.120 -0.392 -7.226) 10.152 8.717 ( 3.194 -2.677 2.237) 4.730 8.854 ( -0.140 2.182 -0.610) 2.270 9.028 ( -1.686 10.373 -0.330) 10.514 9.279 ( -5.238 5.795 -3.820) 8.696 9.533 ( -9.329 -2.603 -4.885) 10.847 9.785 ( -8.676 6.662 8.321) 13.744 10.458 ( -1.213 18.924 -5.070) 19.629 11.848 ( 4.432 0.584 -0.716) 4.527 12.016 ( -6.902 6.688 1.463) 9.721 12.427 ( 1.722 1.144 0.138) 2.072 12.589 ( -2.254 6.454 1.875) 7.089 12.804 ( 2.065 1.017 -3.076) 3.842 12.938 ( -0.491 -1.164 -0.568) 1.386 13.173 ( -0.437 2.553 4.825) 5.476 13.780 ( 0.366 -3.085 -2.852) 4.217 15.643 ( -0.626 -0.283 -3.167) 3.241 15.756 ( 2.518 -1.212 2.701) 3.886 15.792 ( 2.903 -0.687 -0.523) 3.029 15.946 ( -1.277 -1.511 -2.357) 3.077 16.190 ( 0.922 -1.453 -1.597) 2.347 16.411 ( 0.096 -4.636 -0.637) 4.680 16.490 ( -1.721 -5.708 -0.373) 5.974 16.622 ( 1.505 -6.823 6.119) 9.288 16.705 ( 0.953 3.319 -3.554) 4.955 16.924 ( 0.045 2.394 1.262) 2.707 17.055 ( -0.022 4.961 -3.187) 5.897 17.486 ( -0.429 1.002 -0.925) 1.430 21.872 ( 0.783 -5.126 -0.362) 5.198 22.057 ( -2.452 0.211 3.437) 4.227 22.154 ( -0.966 -0.543 0.889) 1.420 22.269 ( -2.580 1.601 2.175) 3.735 22.429 ( 1.211 -2.843 2.177) 3.780 22.497 ( -1.349 -3.020 0.711) 3.383 22.550 ( 1.823 1.909 -0.645) 2.717 22.657 ( -2.281 3.021 2.467) 4.518 22.903 ( -0.371 0.221 0.354) 0.558 23.255 ( -1.268 3.147 4.032) 5.269 23.494 ( -0.221 -1.700 1.842) 2.516 23.575 ( 0.643 -3.356 1.570) 3.760 23.759 ( 1.550 -0.077 -1.675) 2.283 24.046 ( -1.649 -3.205 0.745) 3.681 24.540 ( 2.471 0.028 -8.188) 8.553 24.951 ( -1.170 -7.756 10.719) 13.282 25.126 ( -2.067 -5.410 5.692) 8.120 25.683 ( 5.997 7.738 -5.463) 11.211 26.086 ( -1.889 5.966 6.128) 8.759 26.315 ( -3.498 2.314 -11.204) 11.964 27.182 ( 19.619 -6.224 -3.278) 20.842 27.500 ( 7.373 4.083 -4.444) 9.528 27.671 ( -1.195 -4.646 1.814) 5.129 27.952 ( -2.056 -4.222 5.181) 6.993 28.058 ( -3.437 -4.947 -4.136) 7.307 28.270 ( 13.329 2.875 -0.566) 13.647 28.560 ( -10.490 -4.764 -7.516) 13.756 28.744 ( 0.153 -4.760 0.309) 4.772 29.011 ( -6.194 -12.845 -1.815) 14.376 29.325 ( -0.812 3.105 -10.914) 11.376 29.655 ( 1.402 6.088 -5.512) 8.332 29.797 ( -0.427 0.816 2.199) 2.384 29.971 ( -1.712 1.104 -0.625) 2.131 30.050 ( -0.587 -3.428 0.929) 3.600 30.328 ( -2.963 2.720 -0.262) 4.030 30.481 ( -7.883 0.499 7.450) 10.858 30.750 ( 4.825 -3.654 8.163) 10.162 31.131 ( -3.587 11.416 4.396) 12.749 31.339 ( -1.529 11.797 8.383) 14.552 32.040 ( 4.541 -9.345 -16.625) 19.604 32.611 ( -4.576 7.179 1.491) 8.643 32.962 ( -2.311 1.338 4.896) 5.577 33.244 ( 2.461 17.040 -0.183) 17.218 33.908 ( -0.318 5.895 1.727) 6.151 34.397 ( -3.756 -7.431 0.982) 8.384 34.630 ( -0.272 -3.031 4.212) 5.196 35.068 ( 0.431 8.610 -3.177) 9.188 35.493 ( 0.982 2.165 -0.685) 2.474 36.718 ( 5.907 -1.702 -2.084) 6.491 36.836 ( -0.926 7.599 0.433) 7.668 37.758 ( 7.621 -2.166 1.450) 8.055 37.868 ( -3.366 -3.133 9.061) 10.162 37.956 ( -9.418 -3.024 1.691) 10.035 38.156 ( 1.360 3.943 0.329) 4.184 38.333 ( -2.341 -0.962 -3.555) 4.364 38.699 ( 0.592 3.629 -4.150) 5.545 38.761 ( -2.006 -4.473 1.878) 5.250 39.095 ( 3.801 1.454 -1.924) 4.501 39.492 ( -0.174 -4.338 -0.177) 4.345 39.574 ( -0.245 -0.408 -1.330) 1.413 49.171 ( -0.341 -2.677 0.718) 2.792 49.338 ( 1.165 -2.718 -0.908) 3.094 49.444 ( 0.074 2.596 0.834) 2.728 49.579 ( 0.235 2.125 -0.299) 2.159 86.583 ( 1.395 -0.894 -2.426) 2.938 86.690 ( 0.400 0.277 -3.748) 3.780 87.050 ( 3.841 1.055 8.035) 8.969 88.732 ( 16.162 -7.134 -9.759) 20.182 89.354 ( -0.647 -1.242 -0.502) 1.488 89.434 ( -1.810 -0.947 3.994) 4.486 89.523 ( -0.957 -0.097 1.410) 1.707 89.782 ( -0.072 0.953 -0.126) 0.964 90.424 ( -8.559 -30.488 -13.525) 34.434 90.731 ( 1.402 -27.185 7.732) 28.298 91.461 ( 5.402 11.202 -15.169) 19.615 91.689 ( -2.352 12.349 -11.971) 17.359 92.004 ( -0.755 -2.043 2.316) 3.179 92.352 ( -4.021 -5.075 7.202) 9.685 92.457 ( 3.133 10.346 -4.333) 11.646 93.067 ( -5.595 6.505 17.077) 19.111 95.312 ( 2.007 -10.165 -2.503) 10.660 95.763 ( -1.186 -3.075 3.280) 4.650 96.052 ( 0.671 4.384 6.535) 7.898 96.200 ( -0.185 11.325 4.521) 12.195 96.421 ( -3.153 -8.361 2.224) 9.209 96.815 ( -3.052 4.393 -3.031) 6.148 97.131 ( 2.389 -3.214 -2.529) 4.736 97.710 ( -0.837 30.234 -6.022) 30.839 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -18.053 19.414 23.010) 35.104 2.007 ( -19.507 29.636 16.360) 39.070 2.472 ( -15.061 7.590 6.495) 18.073 2.949 ( 8.252 4.645 24.009) 25.809 3.459 ( 1.047 -0.642 -9.822) 9.898 3.666 ( -1.515 16.024 8.587) 18.243 4.153 ( -0.338 -3.694 -5.372) 6.528 4.247 ( -2.112 -3.900 -8.413) 9.511 4.420 ( -0.221 -3.937 -2.413) 4.623 4.634 ( -0.981 2.476 3.902) 4.724 4.725 ( 7.843 -13.107 -4.308) 15.870 4.766 ( -0.206 4.885 -8.430) 9.745 4.927 ( 4.020 4.309 -2.305) 6.327 4.942 ( -4.817 -0.770 8.105) 9.460 5.148 ( 1.300 2.659 4.242) 5.173 5.272 ( 4.084 -8.863 -0.188) 9.760 5.343 ( -3.074 2.512 1.047) 4.105 5.431 ( 2.516 -1.242 3.593) 4.559 5.760 ( -5.168 -1.905 -2.421) 6.016 5.880 ( -0.323 0.054 -2.903) 2.922 5.954 ( -4.044 -3.688 5.108) 7.487 5.994 ( -6.670 -1.394 -5.670) 8.864 6.273 ( -0.813 4.679 -7.080) 8.525 6.414 ( 10.526 -10.280 8.233) 16.860 6.523 ( 7.314 4.691 2.072) 8.933 6.903 ( -0.062 0.903 -4.032) 4.132 6.970 ( 2.850 4.008 3.510) 6.042 7.074 ( 0.870 -3.096 -4.455) 5.494 7.165 ( 4.602 -2.367 -1.063) 5.283 7.434 ( 0.399 0.584 8.678) 8.707 7.896 ( -16.895 -16.260 -6.786) 24.411 8.061 ( -10.711 -11.439 -7.376) 17.320 8.260 ( 5.160 -12.817 0.541) 13.828 8.390 ( 0.969 -4.508 -4.313) 6.314 8.508 ( -2.300 -1.487 -6.599) 7.145 8.804 ( -8.078 3.531 -1.167) 8.893 8.882 ( 10.402 -4.562 -0.480) 11.368 8.997 ( 4.291 9.774 4.320) 11.516 9.361 ( 2.689 -1.192 -2.203) 3.675 9.454 ( 13.317 -0.564 -6.197) 14.699 9.758 ( 1.764 7.491 6.443) 10.037 10.412 ( -0.567 19.347 -6.786) 20.510 11.899 ( -3.755 1.407 0.863) 4.102 11.965 ( 5.926 4.527 -0.112) 7.458 12.426 ( -2.419 3.324 0.200) 4.116 12.567 ( -0.356 6.637 1.004) 6.722 12.787 ( -2.006 0.932 -3.146) 3.846 12.932 ( 0.440 -0.828 -1.087) 1.435 13.200 ( 0.639 1.056 5.284) 5.426 13.792 ( 2.191 -2.833 -2.322) 4.268 15.615 ( -0.833 0.092 -2.656) 2.786 15.789 ( -1.169 -1.985 0.626) 2.387 15.827 ( 0.873 0.025 2.674) 2.814 15.919 ( 0.318 -2.310 -3.286) 4.029 16.198 ( 0.725 -1.023 -1.215) 1.746 16.417 ( 1.095 -4.444 -1.179) 4.727 16.448 ( -3.036 -5.556 -0.444) 6.347 16.640 ( -0.489 -5.915 4.996) 7.758 16.752 ( 3.651 -0.117 -1.792) 4.069 16.955 ( 2.364 3.932 3.782) 5.946 17.024 ( -1.415 5.510 -4.917) 7.519 17.455 ( -2.005 0.583 -2.243) 3.064 21.895 ( 1.769 -4.916 -0.314) 5.234 22.002 ( -4.678 -3.963 3.921) 7.278 22.154 ( 0.172 1.871 -1.331) 2.303 22.236 ( -1.801 3.315 2.827) 4.714 22.434 ( -2.386 -2.741 1.538) 3.946 22.477 ( 1.295 -1.728 0.961) 2.363 22.605 ( -0.715 2.021 1.560) 2.652 22.640 ( 2.598 2.054 0.784) 3.404 22.918 ( 1.624 0.231 1.365) 2.134 23.228 ( -2.938 2.846 1.806) 4.472 23.489 ( -1.372 -1.747 2.687) 3.486 23.581 ( -0.909 -2.909 1.933) 3.609 23.783 ( 1.334 0.296 -0.632) 1.506 24.003 ( -2.696 -2.909 -1.152) 4.130 24.569 ( 4.116 0.097 -6.621) 7.796 25.020 ( 2.479 -8.915 13.386) 16.273 25.116 ( -1.660 -5.660 5.082) 7.785 25.768 ( 4.943 8.517 -2.980) 10.288 26.050 ( -4.302 4.155 3.782) 7.077 26.204 ( -2.723 4.207 -11.850) 12.866 27.396 ( 5.942 -5.761 -6.115) 10.291 27.428 ( -19.763 -6.571 -0.509) 20.833 27.734 ( 10.933 -1.955 3.408) 11.618 27.864 ( 2.715 1.475 -1.390) 3.388 28.084 ( -5.276 -5.713 4.211) 8.843 28.271 ( -7.598 2.988 -3.773) 8.994 28.572 ( 8.238 -8.633 -1.876) 12.079 28.708 ( -3.508 -5.481 -1.385) 6.653 28.948 ( 4.236 -10.482 -6.239) 12.912 29.279 ( 2.476 8.748 -14.520) 17.132 29.655 ( 0.583 6.884 -2.701) 7.418 29.767 ( -3.415 -0.545 -1.131) 3.638 29.963 ( 1.048 0.686 1.793) 2.188 29.999 ( -3.003 -3.876 -2.735) 5.615 30.301 ( 0.867 6.261 -1.121) 6.420 30.429 ( -3.373 -9.387 5.833) 11.554 30.931 ( 9.163 4.380 14.979) 18.097 31.114 ( 0.113 9.714 2.903) 10.139 31.317 ( -5.024 12.685 6.872) 15.277 32.071 ( 6.352 -8.460 -14.758) 18.158 32.582 ( 1.056 7.875 0.793) 7.985 32.920 ( -3.328 -0.591 1.227) 3.595 33.264 ( -0.775 15.831 2.072) 15.985 33.926 ( 1.143 6.569 2.297) 7.053 34.380 ( 1.252 -6.514 1.268) 6.753 34.670 ( 2.007 -3.420 5.450) 6.740 35.048 ( -0.483 9.989 -3.955) 10.754 35.503 ( 0.368 1.694 -0.948) 1.976 36.716 ( -4.417 -2.461 -2.303) 5.556 36.877 ( 4.178 7.574 1.090) 8.718 37.759 ( -7.815 -4.261 1.484) 9.024 37.841 ( -3.745 -1.178 9.090) 9.901 37.939 ( 5.803 -1.960 0.310) 6.133 38.156 ( -1.673 4.680 1.510) 5.194 38.314 ( 2.389 -1.873 -4.514) 5.440 38.599 ( -4.067 1.302 -4.794) 6.420 38.835 ( 4.859 -1.153 0.626) 5.033 39.150 ( 1.952 0.706 0.997) 2.303 39.483 ( -0.075 -3.674 -0.912) 3.786 39.572 ( 0.415 -0.672 -1.272) 1.498 49.168 ( -0.298 -2.650 0.556) 2.724 49.356 ( 1.212 -3.102 -0.589) 3.382 49.451 ( 0.125 1.936 1.519) 2.464 49.578 ( -0.151 2.616 -0.397) 2.651 86.590 ( 0.436 -0.856 -2.063) 2.276 86.662 ( -1.228 0.603 -4.105) 4.327 87.110 ( -2.415 0.418 10.047) 10.342 88.947 ( 10.809 -8.006 -2.591) 13.698 89.362 ( 1.722 -1.191 -0.109) 2.096 89.414 ( -1.899 -0.685 1.590) 2.570 89.525 ( 0.361 -0.093 1.614) 1.657 89.796 ( 1.387 0.574 0.083) 1.503 90.106 ( -18.149 -39.319 -20.972) 48.117 90.743 ( -2.563 -18.889 4.148) 19.508 91.476 ( 4.165 12.619 -18.213) 22.546 91.586 ( -2.522 10.064 -9.042) 13.763 92.013 ( 2.519 -5.159 -4.984) 7.602 92.358 ( 0.045 5.066 9.680) 10.926 92.528 ( 5.018 4.455 0.838) 6.762 93.081 ( -1.959 6.013 18.747) 19.785 95.334 ( 1.575 -10.536 -2.473) 10.936 95.748 ( -2.157 -4.447 3.569) 6.097 96.067 ( -1.591 1.727 5.067) 5.584 96.206 ( -1.748 8.008 1.407) 8.316 96.416 ( 0.874 -0.697 6.657) 6.750 96.754 ( -1.098 4.695 -4.864) 6.849 97.133 ( -0.804 -2.726 -2.799) 3.989 97.741 ( 6.875 31.300 -4.790) 32.402 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -19.201 21.602 23.732) 37.397 1.569 ( -32.312 14.103 5.526) 35.686 2.111 ( -25.692 34.215 16.208) 45.754 3.258 ( 7.617 4.501 19.595) 21.500 3.351 ( -4.000 1.706 -0.956) 4.453 3.748 ( 6.300 7.642 5.491) 11.324 4.066 ( -8.412 -0.165 1.027) 8.476 4.195 ( 0.387 0.360 -11.315) 11.328 4.382 ( -2.440 -4.060 -1.551) 4.984 4.573 ( -4.149 -2.718 4.387) 6.622 4.666 ( -1.420 -2.203 -7.888) 8.312 4.812 ( 1.146 -8.063 -1.740) 8.328 5.007 ( 5.075 -0.467 3.063) 5.946 5.094 ( 9.064 0.238 -1.918) 9.268 5.103 ( -5.304 -2.202 0.726) 5.789 5.310 ( 0.570 -5.199 6.195) 8.108 5.373 ( -0.973 1.916 -1.409) 2.569 5.463 ( -0.025 -0.508 3.270) 3.309 5.629 ( -7.372 -2.139 -2.928) 8.216 5.764 ( 0.584 -1.798 -2.089) 2.817 5.948 ( 1.197 -1.036 -5.061) 5.303 5.989 ( 3.451 4.275 2.158) 5.903 6.223 ( -0.822 8.866 -1.850) 9.095 6.655 ( 9.707 -13.338 7.090) 17.955 6.673 ( 2.817 0.409 3.464) 4.483 6.842 ( 1.891 -2.771 -5.252) 6.232 6.993 ( -3.367 -2.699 -0.949) 4.419 7.067 ( 2.538 -2.010 -6.438) 7.206 7.239 ( -0.998 -1.613 2.165) 2.878 7.488 ( 0.017 3.191 10.459) 10.935 7.584 ( -10.659 -16.739 -4.628) 20.377 7.836 ( -6.782 -1.949 -8.414) 10.982 8.217 ( -9.690 9.662 -7.512) 15.611 8.295 ( -12.806 -7.954 -5.849) 16.170 8.360 ( 0.036 -10.814 -3.061) 11.239 8.833 ( 3.813 -3.929 3.789) 6.659 8.996 ( 5.024 9.194 -3.988) 11.210 9.165 ( 9.218 -0.129 3.343) 9.807 9.421 ( 9.355 -5.594 -2.772) 11.247 9.784 ( 17.575 6.443 0.087) 18.719 9.884 ( 9.710 5.769 0.997) 11.338 10.387 ( 2.203 18.335 -8.379) 20.279 11.862 ( 0.334 -1.577 1.102) 1.953 12.093 ( 7.116 7.315 -0.088) 10.205 12.350 ( -5.543 2.736 0.738) 6.225 12.559 ( -1.906 5.807 -0.713) 6.153 12.735 ( -1.561 1.765 -0.531) 2.415 12.950 ( 2.002 -1.760 -0.914) 2.818 13.231 ( -0.184 -0.923 4.711) 4.804 13.834 ( 3.478 -1.174 -2.379) 4.374 15.590 ( -0.603 0.120 -2.152) 2.238 15.724 ( -4.860 -2.287 0.100) 5.372 15.849 ( -0.200 0.100 2.765) 2.774 15.921 ( 1.057 -2.051 -3.774) 4.424 16.205 ( 0.192 -1.437 -0.306) 1.481 16.376 ( -3.549 -4.603 -1.261) 5.947 16.444 ( 2.344 -3.099 -2.008) 4.374 16.665 ( 0.062 -7.910 5.757) 9.783 16.806 ( 3.204 0.148 -0.847) 3.318 16.959 ( -2.634 5.379 -5.760) 8.309 17.037 ( 3.781 4.129 4.870) 7.420 17.400 ( -2.227 -0.235 -3.358) 4.036 21.925 ( 1.150 -3.258 0.938) 3.580 21.941 ( -3.447 -5.538 3.152) 7.245 22.143 ( -0.652 1.597 1.268) 2.141 22.236 ( 0.504 2.198 1.401) 2.655 22.390 ( -3.712 -2.542 2.123) 4.975 22.509 ( 1.430 -0.200 1.068) 1.796 22.597 ( 0.104 4.630 3.365) 5.725 22.704 ( 3.260 -1.109 -0.707) 3.515 22.979 ( 3.899 -0.618 2.421) 4.631 23.171 ( -3.499 2.249 0.027) 4.159 23.476 ( -1.410 -1.761 3.168) 3.889 23.564 ( -1.919 -2.068 3.108) 4.197 23.792 ( -0.262 1.708 -0.123) 1.732 23.942 ( -2.824 -2.220 -2.501) 4.377 24.614 ( 3.447 -0.028 -5.053) 6.117 25.112 ( -1.350 -5.714 4.661) 7.496 25.144 ( 3.320 -10.590 12.599) 16.791 25.826 ( 2.568 7.441 -3.863) 8.768 25.980 ( -4.606 4.008 3.667) 7.122 26.108 ( -1.230 3.424 -12.251) 12.780 27.018 ( -21.945 -3.549 1.705) 22.295 27.439 ( 1.677 -2.758 -4.811) 5.794 27.806 ( -0.117 0.493 4.185) 4.216 27.872 ( -10.600 -3.848 -1.862) 11.430 28.074 ( 6.018 -10.834 -0.073) 12.394 28.152 ( -3.667 -2.013 0.664) 4.235 28.519 ( -6.357 -13.559 -4.295) 15.579 28.790 ( 6.411 -6.267 -0.329) 8.971 28.957 ( -2.406 -11.194 -10.221) 15.348 29.295 ( 6.312 14.493 -14.123) 21.198 29.666 ( -0.197 2.875 -0.643) 2.952 29.690 ( 0.394 5.317 -2.057) 5.715 29.933 ( -0.797 -7.646 -0.764) 7.725 30.062 ( 4.548 7.260 2.717) 8.987 30.337 ( 4.809 7.171 -3.624) 9.363 30.381 ( -3.883 -10.191 3.336) 11.405 31.152 ( 2.945 10.888 -1.044) 11.327 31.190 ( 2.028 7.187 13.218) 15.181 31.249 ( 2.619 8.635 12.390) 15.328 32.113 ( 4.747 -3.016 -13.273) 14.415 32.651 ( 5.119 9.154 1.028) 10.538 32.873 ( -1.630 -4.328 1.333) 4.813 33.241 ( -3.120 13.088 4.024) 14.044 33.980 ( 4.636 10.734 0.670) 11.712 34.438 ( 3.628 -6.052 1.719) 7.263 34.746 ( 3.251 -4.205 5.314) 7.516 35.021 ( -0.451 9.905 -4.361) 10.832 35.495 ( -0.748 2.476 -1.401) 2.942 36.580 ( -8.983 -4.674 -1.333) 10.214 36.954 ( 4.763 11.145 -4.329) 12.870 37.626 ( -7.747 -4.271 4.890) 10.108 37.827 ( -1.384 0.730 5.851) 6.057 37.996 ( 0.203 -0.382 -1.545) 1.605 38.137 ( -1.476 2.308 4.264) 5.068 38.360 ( 4.722 -1.770 -4.874) 7.013 38.581 ( 5.590 2.911 -3.642) 7.279 38.905 ( 2.187 -1.703 -0.926) 2.922 39.176 ( 0.198 2.230 3.861) 4.463 39.485 ( 0.452 -3.478 -0.547) 3.549 39.579 ( 1.454 0.617 -1.971) 2.526 49.167 ( -0.143 -2.322 0.563) 2.393 49.374 ( 0.770 -3.980 -0.161) 4.057 49.462 ( 0.339 1.111 1.568) 1.951 49.572 ( -0.399 2.733 -0.096) 2.764 86.581 ( -0.230 -0.611 -1.762) 1.879 86.621 ( -0.982 0.826 -3.419) 3.652 87.052 ( -8.304 -0.014 8.989) 12.238 89.048 ( -6.013 -27.592 -20.025) 34.619 89.327 ( -7.563 -2.420 -11.504) 13.978 89.411 ( 2.762 -1.423 0.587) 3.162 89.524 ( -5.379 -8.477 2.957) 10.466 89.607 ( -11.442 -18.705 -3.521) 22.208 89.856 ( 0.649 -0.916 6.715) 6.808 90.698 ( -3.597 -14.443 3.273) 15.240 91.441 ( 0.121 10.915 -10.712) 15.294 91.531 ( 3.284 6.586 -19.112) 20.480 92.057 ( 4.406 -6.103 -4.000) 8.524 92.425 ( 3.839 16.281 1.732) 16.817 92.630 ( 3.267 0.043 8.552) 9.155 93.171 ( 2.035 1.347 20.198) 20.345 95.342 ( 0.209 -10.743 -2.115) 10.951 95.718 ( -3.294 -4.909 5.166) 7.851 96.058 ( -1.525 1.669 4.951) 5.442 96.141 ( -4.324 2.320 -3.529) 6.044 96.497 ( 2.472 3.808 11.406) 12.276 96.741 ( 1.538 5.238 -2.457) 5.986 97.085 ( -2.660 -2.192 -3.144) 4.666 97.937 ( 18.987 40.908 -8.843) 45.958 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -35.655 14.594 -0.221) 38.527 1.256 ( -12.240 29.498 28.757) 42.975 1.806 ( -19.126 45.744 32.691) 59.389 3.106 ( -9.181 2.218 -8.075) 12.426 3.577 ( 5.735 3.578 15.164) 16.602 3.835 ( -5.806 -3.260 -2.188) 7.009 3.932 ( 1.392 5.513 7.264) 9.225 4.176 ( 2.368 6.283 -3.612) 7.624 4.345 ( -1.299 -4.164 -0.100) 4.363 4.534 ( -2.946 -4.895 4.754) 7.433 4.636 ( -3.765 -3.115 -1.227) 5.038 4.785 ( 0.830 -3.856 -5.520) 6.784 4.950 ( -7.845 -7.074 -2.462) 10.846 5.081 ( -2.808 -0.277 0.784) 2.928 5.189 ( 5.155 6.914 -1.035) 8.686 5.316 ( -0.294 -9.556 -3.461) 10.168 5.342 ( -0.108 -4.347 5.241) 6.810 5.465 ( 0.216 -5.932 2.020) 6.270 5.593 ( 5.515 3.096 6.408) 9.004 5.818 ( -0.709 0.142 2.442) 2.546 6.020 ( 2.162 6.597 0.222) 6.946 6.075 ( 11.557 5.677 -5.670) 14.070 6.260 ( 5.434 0.609 3.341) 6.408 6.609 ( -5.367 -6.608 -3.986) 9.400 6.800 ( -0.018 -2.561 -2.852) 3.833 6.863 ( -0.176 -14.231 5.509) 15.261 6.943 ( -0.935 -5.686 -1.430) 5.937 7.074 ( -4.516 0.667 -3.351) 5.663 7.129 ( -2.966 -7.178 -1.016) 7.833 7.429 ( -2.725 0.019 -9.614) 9.992 7.536 ( 1.077 -8.601 -1.612) 8.817 7.841 ( 4.984 7.221 7.232) 11.370 7.966 ( -12.331 2.489 -7.434) 14.612 8.041 ( -5.998 7.106 -4.842) 10.484 8.396 ( 2.290 -13.856 -1.191) 14.095 8.776 ( -8.643 -11.718 0.775) 14.581 9.107 ( 7.528 21.758 -3.642) 23.310 9.337 ( 7.683 -0.404 0.916) 7.748 9.609 ( 8.834 1.190 0.890) 8.958 10.009 ( 7.455 7.256 2.915) 10.804 10.109 ( 11.339 -2.626 -1.545) 11.741 10.444 ( 10.432 19.029 -13.513) 25.565 11.931 ( 6.364 -2.438 1.118) 6.906 12.195 ( -0.595 9.279 0.443) 9.309 12.259 ( -0.567 -0.167 1.167) 1.308 12.485 ( -4.573 4.208 -1.049) 6.302 12.735 ( 0.495 4.026 1.908) 4.483 12.988 ( 1.892 -3.800 -0.597) 4.287 13.219 ( -3.679 -2.091 3.714) 5.630 13.893 ( 4.184 0.956 -4.071) 5.915 15.574 ( -0.105 -0.485 -1.772) 1.840 15.641 ( -3.738 -2.115 0.066) 4.296 15.846 ( -0.879 0.334 0.928) 1.321 15.910 ( -0.406 -1.066 -3.095) 3.299 16.192 ( -1.348 -2.720 -0.794) 3.138 16.332 ( -0.520 -2.414 0.481) 2.516 16.477 ( 2.059 -3.197 -3.766) 5.352 16.681 ( -1.052 -5.804 3.948) 7.098 16.839 ( -1.544 0.953 -0.077) 1.817 16.907 ( 1.405 2.442 -3.815) 4.743 17.117 ( 2.246 3.253 3.523) 5.295 17.356 ( -0.499 -1.016 -2.997) 3.204 21.908 ( -1.776 -6.509 2.588) 7.226 21.972 ( 3.469 -4.026 6.259) 8.211 22.147 ( -0.224 3.966 2.818) 4.871 22.256 ( -0.284 1.486 1.683) 2.263 22.335 ( -1.013 -5.221 0.063) 5.319 22.526 ( -0.643 -0.292 1.911) 2.038 22.641 ( 1.967 4.434 5.498) 7.332 22.752 ( 2.209 -2.695 -0.887) 3.596 23.048 ( 0.724 -2.192 2.015) 3.064 23.122 ( -0.277 1.351 -0.791) 1.590 23.468 ( -1.402 -1.705 4.951) 5.421 23.556 ( -0.469 -1.278 4.099) 4.319 23.779 ( -0.576 3.702 -0.888) 3.850 23.892 ( -0.976 -1.453 -1.388) 2.234 24.642 ( 1.815 -0.278 -4.305) 4.681 25.096 ( -3.719 -6.765 5.051) 9.226 25.199 ( -3.178 -10.161 5.514) 11.989 25.789 ( -2.727 4.104 -9.872) 11.033 25.946 ( -1.930 7.304 7.187) 10.427 26.078 ( 4.414 -1.350 -9.527) 10.587 26.688 ( -14.755 -0.480 4.352) 15.391 27.428 ( -0.931 -1.432 -2.022) 2.647 27.662 ( -8.511 -2.235 -4.879) 10.062 27.857 ( 0.888 -0.653 -1.622) 1.961 28.011 ( -12.711 -16.819 5.531) 21.795 28.050 ( -9.294 -12.248 -5.027) 16.175 28.404 ( 1.721 -9.689 1.968) 10.036 28.820 ( -4.179 -9.747 -1.189) 10.672 28.912 ( 6.501 -2.344 -5.137) 8.610 29.357 ( 5.263 19.915 -7.686) 21.986 29.672 ( 0.686 4.445 2.055) 4.945 29.747 ( 4.574 4.469 -3.982) 7.533 29.941 ( 1.745 -6.346 0.185) 6.584 30.125 ( 0.594 8.628 4.330) 9.671 30.317 ( -3.616 -7.831 4.329) 9.651 30.471 ( 10.266 7.079 -6.193) 13.923 31.051 ( -7.611 12.524 -3.425) 15.050 31.237 ( 2.219 2.178 3.805) 4.914 31.555 ( 12.462 2.967 18.709) 22.675 32.119 ( 2.683 1.361 -12.219) 12.584 32.715 ( 1.415 7.189 -2.200) 7.650 32.910 ( 3.439 -2.685 7.182) 8.403 33.191 ( -4.422 9.977 5.033) 12.017 34.129 ( 13.255 14.365 -7.359) 20.886 34.507 ( 2.502 -6.311 2.117) 7.111 34.827 ( 2.459 -4.978 4.752) 7.308 34.981 ( -2.577 7.930 -3.843) 9.181 35.461 ( -1.473 3.766 -3.368) 5.263 36.402 ( -9.092 -2.196 1.339) 9.448 37.002 ( 4.726 15.743 -15.143) 22.349 37.524 ( -6.257 -3.465 7.308) 10.226 37.828 ( -0.791 4.917 -1.596) 5.230 37.988 ( 0.861 -2.840 2.571) 3.926 38.147 ( 0.018 -2.947 7.686) 8.232 38.441 ( 6.256 -1.315 -5.057) 8.151 38.761 ( 14.335 6.906 -6.014) 17.010 38.892 ( -2.860 -4.824 -0.479) 5.629 39.216 ( 2.282 3.829 2.717) 5.220 39.497 ( 1.637 0.098 0.114) 1.643 39.606 ( 2.391 1.089 -2.482) 3.614 49.169 ( 0.129 -1.834 0.748) 1.985 49.376 ( -0.906 -5.173 0.069) 5.253 49.478 ( 0.563 0.609 0.942) 1.255 49.557 ( -1.541 1.721 -0.044) 2.311 86.575 ( 0.289 -0.012 -0.761) 0.814 86.609 ( 2.127 1.234 -3.114) 3.968 86.917 ( -9.044 0.253 6.293) 11.021 88.027 ( -66.419 -34.155 -44.098) 86.733 89.366 ( 4.714 -0.645 2.948) 5.597 89.453 ( 1.208 -2.689 2.740) 4.025 89.522 ( 1.955 -8.794 13.380) 16.130 89.599 ( 1.145 -3.347 6.351) 7.269 89.911 ( 0.920 -0.346 9.753) 9.803 90.655 ( -2.719 -13.689 3.838) 14.475 91.414 ( 0.625 8.864 -2.267) 9.171 91.514 ( 6.287 3.103 -26.262) 27.182 92.123 ( 4.273 -4.904 -3.726) 7.497 92.492 ( 3.914 21.754 -5.951) 22.890 92.708 ( -0.369 -1.024 11.237) 11.290 93.339 ( 5.620 -11.470 17.734) 21.855 95.308 ( -3.639 -8.846 -0.079) 9.565 95.685 ( -3.213 -2.330 8.625) 9.494 96.028 ( -4.398 5.095 -4.125) 7.894 96.073 ( -0.223 -0.551 5.160) 5.194 96.587 ( 0.884 0.419 12.228) 12.267 96.775 ( 1.891 3.931 1.019) 4.480 97.022 ( -1.956 -1.545 -3.439) 4.248 98.375 ( 35.057 48.179 -26.264) 65.115 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 12.393 30.900 13.415) 35.894 1.941 ( -1.461 35.692 19.547) 40.720 2.681 ( -3.866 50.008 17.272) 53.047 3.083 ( -0.007 8.353 -8.612) 11.998 3.605 ( -5.138 -3.173 -1.626) 6.254 3.703 ( 2.799 -1.460 3.216) 4.506 4.120 ( 1.352 0.470 1.385) 1.992 4.202 ( -4.125 2.816 2.677) 5.666 4.278 ( -0.655 -7.842 3.292) 8.530 4.442 ( -5.978 -5.322 0.462) 8.017 4.534 ( -0.539 1.802 -0.664) 1.995 4.680 ( 0.414 -6.342 0.995) 6.433 4.759 ( 3.748 -2.349 -0.322) 4.435 4.990 ( 1.444 -9.390 -3.512) 10.128 5.073 ( -1.096 -5.859 -2.826) 6.596 5.266 ( 0.958 3.350 3.247) 4.763 5.338 ( 5.311 -3.803 2.122) 6.868 5.565 ( 1.178 4.045 0.364) 4.228 5.731 ( -3.229 1.679 2.626) 4.488 5.881 ( -2.434 3.749 -4.099) 6.065 6.009 ( -6.030 -5.461 2.810) 8.607 6.156 ( 0.418 -7.457 -0.687) 7.500 6.246 ( 0.438 -3.372 -0.387) 3.422 6.414 ( 3.480 -4.201 -0.924) 5.533 6.607 ( -1.000 -10.032 0.086) 10.082 6.715 ( -4.580 -5.450 -9.000) 11.475 6.808 ( 1.151 -11.293 6.951) 13.310 6.898 ( 2.548 0.527 -0.048) 2.603 6.960 ( 0.295 -3.382 -2.369) 4.140 7.458 ( 1.218 -0.767 -4.201) 4.441 7.621 ( 11.166 2.489 -5.941) 12.891 7.698 ( -11.572 4.034 2.214) 12.453 7.987 ( 3.665 -5.824 -3.498) 7.719 8.215 ( -1.435 -4.001 -0.059) 4.251 8.275 ( 5.340 9.468 4.367) 11.714 8.387 ( -5.095 -12.087 0.034) 13.116 9.467 ( 1.404 5.542 -6.963) 9.009 9.507 ( -2.659 9.196 -3.296) 10.124 9.842 ( 2.587 4.616 5.327) 7.508 9.978 ( -1.288 -6.423 0.916) 6.615 10.281 ( 0.795 9.092 1.491) 9.248 10.809 ( 6.837 7.038 -12.916) 16.220 12.037 ( -3.972 -1.299 1.989) 4.629 12.101 ( 2.277 1.149 -0.312) 2.570 12.414 ( 1.256 3.183 2.111) 4.021 12.518 ( 0.135 4.311 0.004) 4.313 12.862 ( -1.220 4.668 -0.320) 4.836 12.893 ( -0.495 -1.528 0.927) 1.855 13.233 ( 0.182 4.086 3.601) 5.449 13.892 ( -0.327 -2.929 -4.700) 5.547 15.532 ( 0.080 -2.255 -0.945) 2.447 15.575 ( 0.186 -1.142 -0.212) 1.176 15.835 ( -1.698 0.120 -0.911) 1.931 15.897 ( 2.067 -0.774 -1.725) 2.801 16.076 ( -0.085 -5.775 -0.401) 5.790 16.285 ( 1.074 -5.944 3.683) 7.074 16.419 ( -0.644 -1.039 1.911) 2.269 16.611 ( -1.993 -1.631 -3.025) 3.973 16.824 ( -1.397 0.978 -4.516) 4.828 16.969 ( 2.235 2.921 -3.417) 5.021 17.178 ( -0.712 1.641 0.463) 1.848 17.353 ( 2.870 -0.251 -0.046) 2.881 21.773 ( -0.630 -5.403 2.364) 5.932 21.987 ( 3.271 -3.053 5.663) 7.217 22.205 ( -1.195 -0.385 0.149) 1.265 22.241 ( -1.028 -0.550 1.630) 2.004 22.283 ( 0.454 -0.648 2.734) 2.846 22.507 ( 0.204 -0.744 2.105) 2.242 22.691 ( -2.158 -0.375 -1.436) 2.619 22.751 ( -0.746 2.398 2.273) 3.387 23.004 ( -1.149 -2.001 1.137) 2.572 23.116 ( 0.906 -1.585 -1.777) 2.548 23.436 ( -1.693 -1.020 4.996) 5.373 23.521 ( -1.227 -1.925 2.142) 3.130 23.860 ( -1.210 4.156 -1.773) 4.677 23.881 ( 2.749 -0.818 2.180) 3.603 24.630 ( -0.189 0.258 -4.464) 4.476 24.914 ( -3.740 -4.648 4.770) 7.638 25.048 ( -1.287 -5.954 5.625) 8.292 25.743 ( -1.716 1.314 -10.796) 11.010 26.061 ( 7.623 -3.098 -4.843) 9.548 26.132 ( 1.057 6.692 -3.330) 7.549 26.582 ( -2.128 3.265 10.905) 11.580 27.366 ( -2.024 -1.445 -2.143) 3.282 27.484 ( -0.821 0.144 -6.314) 6.369 27.645 ( 0.776 -2.307 0.805) 2.564 27.805 ( 2.574 -6.161 -2.850) 7.260 28.035 ( 0.044 -1.840 2.461) 3.074 28.316 ( 2.481 -7.346 7.827) 11.017 28.580 ( 0.298 -6.450 -4.609) 7.934 28.956 ( 1.586 -1.243 4.402) 4.841 29.611 ( 0.176 -6.589 -14.312) 15.757 29.715 ( 2.189 -10.935 -0.358) 11.158 29.833 ( 4.516 14.309 -0.854) 15.029 30.039 ( -8.192 1.228 2.820) 8.750 30.111 ( 5.812 11.836 -3.720) 13.701 30.480 ( 0.159 13.325 7.220) 15.157 30.658 ( -0.399 3.996 -0.108) 4.018 31.112 ( -2.412 5.850 -5.605) 8.453 31.301 ( 1.763 -1.484 2.544) 3.432 31.611 ( -6.988 -1.729 15.385) 16.986 32.186 ( 2.157 5.114 -10.130) 11.551 32.788 ( 1.874 0.900 4.529) 4.984 33.156 ( -0.659 12.276 3.463) 12.772 33.326 ( -0.759 10.703 1.191) 10.795 34.228 ( 3.261 -10.576 -10.180) 15.037 34.403 ( 0.385 -8.204 5.127) 9.681 34.785 ( -5.875 0.857 3.345) 6.814 35.012 ( -1.915 5.131 0.051) 5.477 35.510 ( 3.023 0.721 -5.618) 6.420 36.382 ( -0.848 3.632 6.231) 7.262 37.153 ( 1.148 3.000 -8.263) 8.865 37.382 ( -2.518 -6.003 6.962) 9.531 37.868 ( -3.702 3.539 -1.954) 5.482 38.057 ( 6.838 -0.230 3.764) 7.809 38.128 ( -0.158 -0.518 3.436) 3.478 38.490 ( 2.668 -1.195 -6.210) 6.864 38.703 ( -4.022 -5.539 2.028) 7.140 38.961 ( 5.756 -1.618 -9.534) 11.254 39.163 ( -3.533 -3.096 -0.324) 4.708 39.566 ( -2.235 2.243 -4.611) 5.594 39.656 ( 0.693 0.846 -2.259) 2.510 49.142 ( 0.074 -1.802 0.671) 1.924 49.281 ( -0.820 -2.033 -0.228) 2.203 49.501 ( -0.377 1.302 0.286) 1.385 49.568 ( -0.124 1.850 -0.054) 1.855 86.569 ( -0.999 -0.141 -0.054) 1.010 86.721 ( 4.946 2.370 -2.263) 5.933 86.822 ( -8.211 -0.022 0.938) 8.265 87.097 ( 7.412 -4.593 -1.241) 8.808 89.398 ( -0.041 -1.079 1.547) 1.887 89.431 ( 0.116 -1.682 0.777) 1.856 89.517 ( 5.466 -6.134 12.281) 14.776 89.607 ( -0.706 0.204 3.441) 3.519 89.975 ( -0.687 1.853 6.343) 6.643 90.338 ( -3.960 -14.260 3.772) 15.272 91.433 ( 5.275 -6.057 -23.213) 24.563 91.605 ( 2.847 7.616 2.322) 8.456 92.072 ( 4.162 -6.223 -3.424) 8.233 92.668 ( -4.932 -0.377 4.577) 6.739 92.844 ( 1.140 10.954 -6.707) 12.895 93.262 ( -2.397 -0.459 2.160) 3.259 95.182 ( -3.134 -2.299 6.498) 7.572 95.719 ( -0.271 1.970 7.966) 8.211 96.021 ( -0.882 -0.532 1.590) 1.895 96.164 ( 1.258 6.787 3.344) 7.670 96.644 ( -5.271 3.763 9.839) 11.779 96.839 ( 4.327 -1.898 -5.505) 7.255 97.013 ( -0.750 3.955 2.204) 4.589 99.070 ( 2.034 10.385 -29.403) 31.249 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 26.934 20.695 17.761) 38.330 2.045 ( 2.400 32.801 21.048) 39.048 2.755 ( 2.380 46.987 16.689) 49.920 3.114 ( 8.222 9.747 -9.543) 15.927 3.436 ( -10.819 8.576 -4.028) 14.382 3.889 ( 9.150 -5.638 2.270) 10.985 3.982 ( -8.896 0.945 4.061) 9.825 4.168 ( -0.407 5.139 -0.256) 5.161 4.286 ( 0.606 -10.162 1.158) 10.246 4.349 ( -3.211 -10.004 0.643) 10.527 4.556 ( 0.852 -2.966 -1.354) 3.370 4.780 ( 6.881 -8.954 0.104) 11.293 4.830 ( 5.249 2.369 1.054) 5.854 5.009 ( 1.602 -5.978 -2.119) 6.542 5.059 ( -0.220 -6.142 -0.345) 6.156 5.315 ( 2.364 0.713 1.055) 2.685 5.380 ( -1.976 -2.190 -5.471) 6.216 5.529 ( -3.059 -3.917 3.642) 6.162 5.717 ( 1.225 7.002 2.519) 7.541 5.811 ( -2.127 0.876 -3.440) 4.139 5.904 ( -6.738 -5.252 5.123) 9.961 6.158 ( 0.032 -3.136 -0.604) 3.193 6.211 ( -1.157 -6.268 -4.683) 7.909 6.522 ( -1.348 -3.702 -0.641) 3.992 6.552 ( 0.475 -11.808 0.727) 11.840 6.643 ( 4.963 -2.421 -11.447) 12.709 6.807 ( -5.495 -0.986 5.021) 7.509 6.986 ( 6.341 -5.189 3.627) 8.960 7.023 ( 5.534 -1.821 0.377) 5.838 7.431 ( -4.720 1.643 -3.982) 6.390 7.545 ( -3.388 3.023 2.622) 5.244 7.778 ( 9.865 3.321 -8.741) 13.592 8.048 ( 1.863 -11.144 4.883) 12.309 8.192 ( -0.029 -6.598 -1.280) 6.721 8.342 ( 0.700 -12.321 -5.938) 13.695 8.427 ( 8.944 7.511 4.156) 12.396 9.331 ( -12.135 4.782 -6.149) 14.420 9.393 ( -6.253 8.276 -4.357) 11.251 9.719 ( -13.243 -3.687 5.057) 14.647 9.975 ( -4.331 0.556 -1.484) 4.612 10.251 ( -5.310 8.612 4.391) 11.029 10.840 ( 2.159 10.546 -8.044) 13.438 11.891 ( -6.328 1.823 -0.507) 6.605 12.234 ( 6.215 -2.653 1.541) 6.931 12.414 ( -2.189 8.472 1.708) 8.915 12.579 ( 6.116 1.773 0.027) 6.368 12.830 ( -1.405 6.302 -0.600) 6.485 12.895 ( 0.107 -2.677 0.951) 2.843 13.250 ( -0.555 4.595 4.046) 6.147 13.827 ( -3.628 -3.097 -4.664) 6.672 15.559 ( 3.188 -2.217 -1.033) 4.018 15.601 ( 2.591 -0.977 0.096) 2.771 15.789 ( -2.164 -0.055 -1.511) 2.640 15.934 ( 2.096 -1.350 -1.665) 2.998 16.087 ( 1.168 -4.998 0.004) 5.133 16.321 ( 0.307 -8.080 4.033) 9.036 16.418 ( -0.148 0.749 2.355) 2.475 16.525 ( -4.613 -2.982 -3.259) 6.387 16.783 ( -0.467 0.441 -5.555) 5.592 16.996 ( 1.588 4.000 -2.196) 4.832 17.151 ( -1.511 2.013 -0.759) 2.629 17.429 ( 4.367 0.342 0.636) 4.426 21.780 ( -0.020 -4.492 2.069) 4.945 22.069 ( 1.807 -3.549 6.038) 7.233 22.161 ( -2.611 2.637 0.081) 3.712 22.245 ( 0.577 -4.498 1.050) 4.655 22.293 ( 0.105 -0.895 2.883) 3.021 22.544 ( 0.338 0.963 2.463) 2.666 22.620 ( -3.403 -0.227 -0.983) 3.549 22.733 ( -1.440 1.639 0.682) 2.286 22.966 ( -3.177 -2.313 -0.017) 3.930 23.172 ( 4.920 -0.819 1.420) 5.186 23.431 ( -0.836 -2.606 4.108) 4.936 23.504 ( -1.115 -0.256 0.545) 1.267 23.819 ( -1.973 3.603 -2.369) 4.742 23.944 ( 2.151 -2.346 3.181) 4.500 24.598 ( -0.512 0.846 -5.738) 5.823 24.870 ( -3.754 -5.977 4.062) 8.143 25.042 ( -2.347 -5.811 6.239) 8.843 25.700 ( 2.600 3.193 -10.685) 11.451 26.157 ( 2.382 7.699 4.370) 9.168 26.227 ( 13.106 -6.421 -14.960) 20.900 26.667 ( 4.454 6.213 12.491) 14.645 27.338 ( 1.388 -2.585 -2.649) 3.952 27.509 ( 5.486 2.712 -6.498) 8.926 27.711 ( 4.307 0.304 2.303) 4.893 27.873 ( 6.998 -3.835 -3.710) 8.800 28.065 ( 1.204 -11.433 1.661) 11.616 28.396 ( 1.872 -10.644 6.777) 12.757 28.618 ( 5.883 -7.865 -3.417) 10.399 28.961 ( -3.383 -0.045 3.797) 5.086 29.533 ( -1.560 -6.124 -13.413) 14.827 29.723 ( -1.185 -8.129 -0.068) 8.215 29.907 ( -5.293 7.265 0.837) 9.027 29.922 ( 3.900 4.670 0.409) 6.098 30.146 ( -0.082 9.713 -3.748) 10.411 30.469 ( -5.195 8.747 6.826) 12.251 30.610 ( -3.430 2.367 2.055) 4.647 31.047 ( -3.228 6.952 -5.898) 9.671 31.350 ( 1.846 -0.311 4.036) 4.449 31.504 ( -9.857 3.645 11.667) 15.702 32.143 ( -1.788 5.276 -9.781) 11.256 32.868 ( 3.101 -0.094 7.959) 8.542 33.061 ( -8.501 11.022 2.528) 14.147 33.379 ( 4.245 11.332 -1.032) 12.145 34.185 ( -2.611 -2.848 -7.242) 8.208 34.399 ( -3.952 -8.905 5.638) 11.257 34.661 ( -6.025 1.807 1.486) 6.463 35.062 ( 5.761 3.489 -2.331) 7.127 35.537 ( 1.603 0.837 -3.080) 3.571 36.435 ( 3.828 2.161 4.754) 6.475 37.120 ( -0.875 6.933 -6.441) 9.503 37.411 ( 2.602 -5.806 5.454) 8.380 37.826 ( -1.487 1.019 3.072) 3.562 38.115 ( 0.879 0.792 0.444) 1.264 38.219 ( 4.050 -0.680 4.244) 5.906 38.446 ( -4.140 -3.777 -5.774) 8.046 38.620 ( -4.328 -2.514 0.189) 5.009 38.975 ( -1.131 -1.302 -7.261) 7.463 39.096 ( -1.814 1.244 -1.067) 2.445 39.457 ( -5.143 0.534 -2.232) 5.631 39.634 ( -1.672 0.170 -1.518) 2.265 49.137 ( -0.890 -2.007 0.963) 2.398 49.273 ( 0.265 -1.713 -0.891) 1.949 49.494 ( -0.377 1.974 0.295) 2.031 49.583 ( 1.400 1.640 -0.245) 2.170 86.551 ( -0.240 -0.158 -1.077) 1.115 86.701 ( -2.943 0.366 -0.222) 2.974 86.826 ( 6.994 3.161 0.452) 7.689 87.564 ( 35.199 -14.988 -7.438) 38.973 89.388 ( -1.733 -1.731 0.265) 2.464 89.424 ( -0.797 -1.256 2.054) 2.537 89.580 ( -1.790 0.733 1.586) 2.501 89.708 ( 6.458 -10.066 10.871) 16.162 89.981 ( -2.846 -1.753 13.513) 13.920 90.276 ( -3.959 -16.209 -0.174) 16.686 91.432 ( 5.760 -5.242 -20.312) 21.754 91.705 ( 6.015 6.779 3.528) 9.725 92.113 ( 2.394 -4.051 -5.312) 7.097 92.550 ( -9.726 -0.090 3.040) 10.190 92.789 ( -2.836 12.749 -7.783) 15.204 93.224 ( -3.066 -0.986 3.963) 5.107 95.156 ( -2.408 -3.169 5.177) 6.530 95.744 ( -0.790 1.262 6.355) 6.527 96.025 ( 0.213 -0.226 2.721) 2.739 96.224 ( 2.735 6.408 6.001) 9.196 96.566 ( -6.348 4.164 5.384) 9.306 96.919 ( 5.665 -2.306 -2.340) 6.549 97.004 ( -1.545 4.297 2.078) 5.017 98.795 ( -14.193 18.060 -25.521) 34.335 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.642 30.901 19.495) 36.718 2.256 ( 20.849 14.291 16.070) 29.953 2.848 ( -2.267 29.735 13.670) 32.805 3.203 ( -13.218 20.312 1.546) 24.283 3.263 ( 10.613 7.410 -12.064) 17.694 3.825 ( 1.523 3.769 4.682) 6.200 4.070 ( 1.465 -6.253 -9.567) 11.523 4.193 ( 3.322 1.107 1.890) 3.979 4.342 ( 0.531 -5.382 6.854) 8.731 4.367 ( 6.023 -13.904 1.333) 15.212 4.518 ( -0.221 -2.262 -3.993) 4.595 4.876 ( 2.840 -9.286 2.989) 10.160 4.948 ( -5.538 -1.556 -5.985) 8.301 5.017 ( 8.158 3.458 4.031) 9.734 5.040 ( 2.278 -2.609 -2.893) 4.513 5.272 ( -6.878 -2.126 4.839) 8.674 5.357 ( 1.464 -4.230 -4.533) 6.371 5.538 ( 1.119 0.837 -1.191) 1.836 5.716 ( -1.294 4.469 0.900) 4.739 5.807 ( 3.143 2.146 2.785) 4.716 5.849 ( -2.153 -0.557 1.641) 2.764 6.085 ( -4.737 -3.837 -1.772) 6.348 6.252 ( 4.617 -4.595 -3.809) 7.546 6.410 ( -7.337 -3.655 5.759) 10.017 6.537 ( -1.202 -0.659 -6.650) 6.790 6.726 ( -1.638 -0.160 -0.455) 1.707 6.793 ( 10.754 -9.975 -6.584) 16.078 7.095 ( 2.994 0.413 0.398) 3.048 7.146 ( 5.790 -6.479 5.902) 10.504 7.299 ( -6.370 5.616 1.152) 8.570 7.575 ( 4.531 -1.342 0.808) 4.794 7.878 ( 4.560 -8.085 -6.302) 11.220 8.080 ( -1.649 -14.094 4.040) 14.754 8.223 ( 1.887 -8.625 -3.339) 9.439 8.321 ( 2.422 -9.360 -5.513) 11.129 8.629 ( 10.551 4.811 2.132) 11.790 9.055 ( -12.129 4.161 -8.330) 15.290 9.254 ( -6.237 5.793 -2.532) 8.881 9.481 ( -13.980 -3.772 4.841) 15.268 9.778 ( -13.793 -0.236 -5.320) 14.785 10.138 ( -9.557 10.340 7.899) 16.145 10.831 ( 0.368 14.325 -4.986) 15.173 11.838 ( 0.929 3.784 -1.311) 4.111 12.257 ( -5.709 -0.298 2.142) 6.104 12.423 ( 4.052 8.324 0.226) 9.261 12.695 ( 5.388 3.166 -0.636) 6.281 12.816 ( 0.022 5.680 -0.040) 5.680 12.906 ( 0.703 -1.985 0.701) 2.220 13.244 ( -1.887 3.883 3.581) 5.609 13.740 ( -3.237 -4.657 -3.724) 6.784 15.621 ( 3.375 -1.538 -1.979) 4.204 15.661 ( 3.576 -1.005 0.524) 3.751 15.756 ( -0.410 -0.200 -0.549) 0.714 15.943 ( -0.298 -1.711 -2.060) 2.694 16.111 ( 1.139 -4.505 0.516) 4.675 16.318 ( -1.739 -7.681 1.674) 8.052 16.427 ( -1.700 -4.918 0.767) 5.260 16.466 ( 0.524 -0.833 2.095) 2.314 16.754 ( 0.168 0.267 -5.711) 5.720 16.995 ( -0.818 4.109 -0.258) 4.197 17.137 ( 1.062 3.024 -3.082) 4.447 17.495 ( 2.378 1.080 -0.004) 2.612 21.784 ( -0.239 -3.749 0.748) 3.831 22.069 ( -4.378 -3.096 6.691) 8.574 22.154 ( 1.599 1.283 -1.173) 2.362 22.263 ( 1.502 -2.399 -1.445) 3.178 22.338 ( 2.160 -1.325 5.385) 5.952 22.485 ( -4.317 -1.851 -1.288) 4.870 22.601 ( -1.015 1.865 1.860) 2.823 22.712 ( -1.404 1.096 1.255) 2.179 22.922 ( -1.077 -0.133 0.458) 1.178 23.274 ( 4.151 1.224 3.125) 5.338 23.442 ( 0.160 -3.049 2.339) 3.847 23.495 ( -0.145 -0.793 1.457) 1.665 23.774 ( -1.391 1.516 -2.808) 3.481 23.975 ( -0.320 -4.165 2.673) 4.960 24.560 ( -0.291 0.609 -6.487) 6.522 24.818 ( -3.744 -6.690 5.496) 9.433 25.023 ( -2.852 -6.223 6.451) 9.406 25.740 ( 6.526 6.185 -8.723) 12.528 26.216 ( 1.315 7.579 3.610) 8.498 26.359 ( 7.733 -4.133 -16.569) 18.746 26.848 ( 10.327 4.781 7.858) 13.830 27.408 ( 6.460 -3.150 -0.625) 7.214 27.589 ( 5.089 1.961 -5.480) 7.731 27.781 ( 2.692 -2.168 1.483) 3.761 27.986 ( 1.560 -10.262 2.373) 10.648 28.122 ( 8.811 0.161 -4.191) 9.758 28.440 ( 0.926 -11.128 2.543) 11.453 28.732 ( 6.027 -11.956 -1.805) 13.510 28.860 ( -9.248 1.357 3.733) 10.065 29.433 ( -2.163 -2.852 -13.377) 13.848 29.682 ( -1.521 -9.686 -4.085) 10.622 29.849 ( -1.521 5.042 1.130) 5.386 29.977 ( 0.026 4.048 3.096) 5.096 30.104 ( -0.951 6.649 -5.665) 8.787 30.373 ( -6.976 1.177 5.327) 8.856 30.570 ( -4.932 0.345 8.607) 9.927 30.932 ( -4.928 11.893 -3.361) 13.305 31.400 ( -5.843 7.608 6.313) 11.483 31.419 ( 3.541 2.812 5.507) 7.126 32.036 ( -4.943 3.489 -7.734) 9.820 32.911 ( -6.057 11.719 0.865) 13.220 32.956 ( -0.461 -1.431 8.304) 8.439 33.450 ( 5.028 10.202 -4.370) 12.184 34.106 ( -2.600 5.715 -3.941) 7.413 34.321 ( -6.579 -8.169 5.871) 12.020 34.607 ( -1.231 2.017 2.438) 3.395 35.155 ( 5.430 3.341 -4.452) 7.776 35.536 ( -0.434 1.086 -0.980) 1.525 36.556 ( 6.877 -0.279 2.541) 7.336 37.069 ( -2.140 9.669 -2.929) 10.327 37.525 ( 7.219 -5.161 4.259) 9.843 37.819 ( -2.047 -1.702 5.598) 6.199 38.135 ( -9.113 0.126 -0.273) 9.118 38.154 ( -0.197 0.309 -0.785) 0.867 38.388 ( -1.127 -1.827 -1.515) 2.627 38.595 ( 1.871 -2.674 2.432) 4.069 38.880 ( -4.779 2.149 -5.366) 7.500 39.094 ( 1.674 1.657 -2.337) 3.318 39.400 ( -0.968 -3.948 -0.317) 4.077 39.589 ( -2.276 -0.912 -1.608) 2.932 49.124 ( -0.916 -2.475 1.040) 2.837 49.279 ( 0.857 -1.911 -1.395) 2.516 49.491 ( -0.273 2.147 0.781) 2.301 49.608 ( 1.311 1.842 -0.509) 2.318 86.554 ( 1.038 -0.335 -1.416) 1.787 86.684 ( 0.572 -0.343 -0.624) 0.913 86.972 ( 7.633 4.498 2.025) 9.089 88.121 ( 28.532 -19.344 -12.608) 36.704 89.350 ( -1.869 -1.792 -0.621) 2.663 89.421 ( -1.220 -1.208 3.849) 4.215 89.545 ( -2.325 0.078 1.322) 2.675 89.805 ( 1.340 -2.631 -1.623) 3.369 90.019 ( -4.157 -18.429 17.654) 25.857 90.208 ( -0.975 -15.026 1.597) 15.142 91.459 ( 6.576 -4.222 -17.020) 18.729 91.828 ( 6.077 5.908 -3.836) 9.303 92.115 ( -0.066 1.002 -1.564) 1.859 92.363 ( -10.809 -0.901 2.154) 11.058 92.699 ( -2.255 11.189 -7.730) 13.786 93.194 ( -3.018 2.374 7.996) 8.870 95.146 ( -0.992 -4.658 3.816) 6.102 95.748 ( -1.459 0.367 4.668) 4.905 96.046 ( 0.437 -1.651 2.625) 3.132 96.310 ( 2.522 5.479 8.809) 10.676 96.477 ( -5.093 7.055 3.111) 9.241 96.968 ( -2.515 2.596 -0.843) 3.711 97.010 ( 4.456 -1.205 -0.791) 4.684 98.443 ( -11.193 23.626 -16.955) 31.160 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -6.147 28.917 13.178) 32.367 2.627 ( 11.098 10.152 9.260) 17.663 2.804 ( -10.124 23.128 10.928) 27.511 2.980 ( -7.422 20.168 12.278) 24.751 3.374 ( 8.177 0.906 -10.057) 12.994 3.989 ( 1.608 -1.487 -8.858) 9.125 4.036 ( 6.440 3.816 0.757) 7.524 4.271 ( 3.387 -11.152 0.128) 11.656 4.310 ( -4.909 2.753 4.471) 7.188 4.398 ( 2.589 -8.672 -5.706) 10.699 4.643 ( 6.424 2.658 3.255) 7.677 4.793 ( -2.360 0.387 -0.789) 2.518 4.887 ( -6.927 -9.176 9.303) 14.789 5.049 ( 1.459 -3.473 -5.211) 6.430 5.159 ( 1.866 -0.008 3.988) 4.403 5.234 ( -0.077 6.767 -4.713) 8.246 5.356 ( 3.782 -0.556 -0.054) 3.823 5.455 ( -6.715 5.911 -1.078) 9.011 5.797 ( 0.135 1.509 0.006) 1.515 5.832 ( 5.380 -2.409 4.063) 7.159 5.891 ( 3.639 3.929 2.265) 5.814 6.031 ( 0.940 -5.594 -1.035) 5.766 6.162 ( -11.402 -2.344 1.145) 11.696 6.412 ( 2.043 3.641 -5.056) 6.557 6.491 ( 0.756 -5.952 -0.755) 6.047 6.782 ( 6.155 -3.696 4.699) 8.581 6.923 ( 6.893 -9.007 -8.737) 14.317 7.075 ( -4.025 3.183 -2.844) 5.867 7.203 ( -2.434 7.853 1.375) 8.335 7.297 ( 4.191 -6.422 7.771) 10.918 7.712 ( 7.100 -11.028 2.878) 13.428 7.883 ( -4.019 -16.499 -4.428) 17.549 8.002 ( -4.363 -13.521 -1.923) 14.337 8.140 ( -3.773 -12.465 -0.259) 13.027 8.480 ( 12.631 -2.327 -2.375) 13.062 8.761 ( 0.544 3.783 -3.513) 5.191 8.883 ( -1.334 0.772 -7.811) 7.962 9.173 ( -1.370 2.848 0.487) 3.198 9.313 ( -3.056 -0.261 2.178) 3.762 9.481 ( -13.810 -1.177 -7.488) 15.753 10.015 ( -6.760 12.943 8.644) 16.968 10.807 ( -0.453 15.812 -5.116) 16.625 11.895 ( 5.153 3.289 -1.463) 6.285 12.126 ( -7.599 4.761 1.076) 9.032 12.501 ( 3.068 5.764 0.715) 6.569 12.741 ( 0.286 8.626 -0.262) 8.635 12.829 ( 0.902 1.729 -1.414) 2.409 12.919 ( 0.219 -0.723 0.264) 0.801 13.227 ( -1.462 2.662 3.297) 4.483 13.689 ( -0.399 -6.221 -2.668) 6.780 15.637 ( 0.117 -0.254 -2.909) 2.923 15.729 ( 3.040 -1.321 0.431) 3.343 15.779 ( 2.152 -0.468 1.308) 2.562 15.907 ( -2.212 -2.314 -2.351) 3.972 16.131 ( 0.606 -4.401 1.079) 4.572 16.296 ( -0.879 -7.290 0.734) 7.380 16.395 ( -1.398 -4.754 -0.260) 4.962 16.501 ( 0.434 -3.356 4.338) 5.502 16.742 ( 1.509 0.492 -5.372) 5.601 16.989 ( 0.158 3.597 2.249) 4.245 17.144 ( 1.179 3.938 -5.273) 6.686 17.511 ( -0.343 1.435 -1.353) 2.002 21.785 ( 0.566 -3.649 -0.150) 3.695 22.004 ( -5.620 -3.535 5.187) 8.425 22.175 ( 1.301 0.519 -2.804) 3.135 22.282 ( 0.887 0.081 -1.276) 1.556 22.380 ( -0.547 -1.777 4.238) 4.628 22.436 ( -0.674 -3.163 1.893) 3.748 22.594 ( 0.524 2.154 0.145) 2.221 22.697 ( -1.225 1.454 3.352) 3.854 22.921 ( 0.008 1.411 0.956) 1.705 23.325 ( 0.079 3.473 0.435) 3.501 23.454 ( -0.441 -2.111 3.691) 4.275 23.508 ( 0.300 -2.837 2.509) 3.799 23.756 ( 1.098 -0.140 -2.078) 2.355 23.962 ( -1.896 -5.041 1.376) 5.559 24.543 ( 1.858 0.305 -5.671) 5.976 24.800 ( -1.448 -7.057 8.044) 10.799 25.002 ( -2.468 -6.535 6.099) 9.274 25.840 ( 7.462 7.757 -6.483) 12.565 26.214 ( -2.812 5.870 0.430) 6.524 26.366 ( 1.577 2.846 -12.815) 13.222 27.093 ( 13.197 -2.259 -1.117) 13.436 27.527 ( 5.355 -1.975 -2.533) 6.245 27.550 ( -8.101 -7.362 1.055) 10.997 27.899 ( 7.767 -0.167 5.511) 9.525 27.954 ( -2.555 -4.898 -2.480) 6.055 28.299 ( 8.410 -0.981 -0.283) 8.472 28.454 ( -1.421 -3.773 -4.031) 5.701 28.695 ( -5.791 -1.120 4.994) 7.728 28.772 ( -2.942 -9.726 -0.955) 10.206 29.372 ( 3.565 0.805 -14.061) 14.528 29.646 ( 0.157 -11.346 -6.439) 13.047 29.840 ( 0.267 3.928 -1.374) 4.170 29.939 ( -4.435 2.777 0.006) 5.233 30.077 ( 0.038 3.908 -3.907) 5.526 30.307 ( -2.516 -2.480 6.104) 7.053 30.467 ( -9.437 -0.908 9.154) 13.179 30.934 ( 4.938 15.718 5.940) 17.513 31.327 ( -4.432 8.231 3.023) 9.825 31.529 ( 4.022 6.745 6.097) 9.942 31.918 ( -3.113 -1.531 -6.695) 7.541 32.816 ( -2.962 12.169 -1.592) 12.625 32.960 ( -3.247 -1.263 5.670) 6.655 33.516 ( 4.036 8.827 -5.414) 11.114 34.059 ( -0.697 7.706 -2.885) 8.258 34.245 ( -4.156 -6.402 6.222) 9.847 34.625 ( 0.959 3.709 5.259) 6.506 35.211 ( 3.101 4.842 -5.163) 7.728 35.521 ( -0.609 0.162 -0.357) 0.725 36.676 ( 3.985 -2.550 0.750) 4.790 37.023 ( -1.467 10.628 0.059) 10.729 37.701 ( 8.964 -3.435 3.200) 10.118 37.796 ( -2.924 -3.673 4.298) 6.366 37.902 ( -11.341 -2.792 1.878) 11.830 38.219 ( 4.229 2.155 -0.598) 4.784 38.328 ( -4.054 0.907 -1.578) 4.444 38.650 ( -0.883 -6.210 2.979) 6.944 38.791 ( 0.379 5.315 -5.515) 7.669 39.125 ( 2.530 1.350 -1.702) 3.335 39.394 ( 0.025 -5.405 0.117) 5.406 39.548 ( -0.947 -2.051 -1.936) 2.976 49.115 ( -0.584 -2.821 0.916) 3.023 49.290 ( 1.003 -2.135 -1.420) 2.754 49.489 ( -0.374 2.012 1.213) 2.379 49.624 ( 0.707 2.166 -0.574) 2.350 86.569 ( 1.114 -0.310 -1.106) 1.600 86.691 ( 0.258 -0.323 -1.727) 1.775 87.100 ( 3.961 4.630 4.695) 7.692 88.478 ( 16.414 -19.641 -10.794) 27.779 89.325 ( -0.399 -1.578 -0.488) 1.699 89.412 ( -1.702 -1.155 4.038) 4.532 89.519 ( -0.962 -0.330 1.314) 1.661 89.793 ( -1.038 -3.685 -5.383) 6.605 89.869 ( -13.020 -18.817 0.137) 22.883 90.303 ( 3.649 -16.196 13.453) 21.368 91.509 ( 6.681 -3.643 -15.370) 17.150 91.842 ( 1.141 4.085 -18.244) 18.731 92.067 ( -7.293 6.117 1.521) 9.639 92.276 ( 1.138 -2.077 10.959) 11.212 92.652 ( 1.194 8.898 -7.800) 11.893 93.192 ( -1.915 5.613 10.982) 12.481 95.153 ( -0.113 -5.499 3.324) 6.427 95.736 ( -1.956 -0.176 3.867) 4.337 96.059 ( -0.216 -2.685 1.930) 3.314 96.350 ( -3.634 0.651 5.695) 6.787 96.453 ( 1.484 12.896 7.225) 14.856 96.906 ( -2.647 3.812 -3.583) 5.864 97.070 ( 2.403 -2.426 -1.519) 3.737 98.266 ( -0.768 24.629 -10.787) 26.898 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -12.927 29.663 9.986) 33.863 2.391 ( -25.655 12.996 -1.735) 28.811 2.859 ( 1.924 25.803 14.008) 29.423 3.159 ( 12.352 15.583 17.237) 26.316 3.449 ( 2.333 0.453 -6.094) 6.541 3.892 ( -5.047 -4.871 -6.965) 9.885 4.051 ( -3.735 -5.111 -3.403) 7.187 4.176 ( -4.282 4.534 -2.183) 6.608 4.350 ( 0.150 -4.919 2.157) 5.374 4.503 ( 8.085 -6.346 -1.589) 10.400 4.677 ( -3.667 3.729 4.973) 7.217 4.774 ( -5.923 -6.041 6.506) 10.672 4.886 ( 4.957 -1.663 -0.431) 5.246 5.004 ( -2.290 -2.493 -5.586) 6.531 5.150 ( -2.242 -2.075 -0.486) 3.093 5.227 ( -0.372 5.801 1.904) 6.117 5.356 ( 2.604 0.113 -0.941) 2.771 5.506 ( 6.414 8.543 3.635) 11.284 5.746 ( -5.479 6.048 -2.794) 8.626 5.868 ( -4.358 -3.092 2.896) 6.078 5.955 ( -7.226 -1.398 -3.985) 8.370 5.978 ( 4.424 4.571 3.816) 7.418 6.160 ( 9.503 -8.943 3.062) 13.404 6.386 ( -0.887 0.000 -0.042) 0.888 6.557 ( 4.062 -2.165 2.038) 5.034 6.895 ( -1.671 -7.345 -1.202) 7.628 6.949 ( 1.193 -1.890 -1.941) 2.960 7.002 ( 1.627 -2.442 -5.203) 5.973 7.165 ( -1.514 1.398 -0.037) 2.061 7.411 ( 1.354 -4.133 12.687) 13.412 7.554 ( -15.864 -16.342 -8.489) 24.306 7.870 ( 1.977 -12.583 -4.060) 13.368 7.988 ( 2.615 -8.599 3.398) 9.609 8.198 ( 6.455 -9.795 -2.056) 11.910 8.605 ( -3.015 4.257 -4.678) 7.007 8.668 ( -5.834 -4.403 2.511) 7.728 8.904 ( 10.899 -3.942 -9.206) 14.802 9.171 ( 0.105 8.315 -0.285) 8.320 9.280 ( -1.332 -1.872 -4.825) 5.344 9.468 ( 16.388 -1.389 -1.265) 16.495 9.996 ( 0.802 13.476 6.879) 15.151 10.767 ( -0.849 16.123 -6.649) 17.461 11.934 ( -2.880 1.758 -0.190) 3.380 12.076 ( 4.435 6.596 -0.488) 7.963 12.517 ( -2.225 5.503 1.749) 6.188 12.736 ( -0.911 8.822 -0.863) 8.911 12.810 ( -0.951 2.604 -2.102) 3.479 12.918 ( -0.383 -0.490 0.131) 0.636 13.224 ( -0.618 1.161 3.009) 3.284 13.707 ( 3.375 -5.925 -1.866) 7.069 15.619 ( -0.571 0.376 -2.485) 2.578 15.747 ( -2.165 -2.072 0.424) 3.027 15.823 ( 1.413 -0.420 2.255) 2.694 15.867 ( 0.265 -2.581 -3.167) 4.094 16.142 ( -0.130 -4.827 1.419) 5.033 16.289 ( -0.464 -7.621 -0.647) 7.662 16.376 ( -0.307 -2.368 0.468) 2.433 16.517 ( -0.466 -4.682 4.277) 6.358 16.762 ( 2.990 -0.133 -4.126) 5.097 17.030 ( 2.585 3.423 3.852) 5.765 17.120 ( -0.825 4.254 -6.573) 7.873 17.474 ( -2.415 1.328 -2.928) 4.021 21.814 ( 2.637 -3.244 -0.032) 4.180 21.917 ( -5.577 -4.208 2.682) 7.484 22.156 ( -1.592 -1.843 -4.045) 4.722 22.285 ( -0.295 1.661 1.975) 2.597 22.396 ( -0.437 -1.357 3.258) 3.556 22.444 ( 0.865 -1.528 2.585) 3.125 22.615 ( 0.884 -0.291 0.229) 0.958 22.706 ( 0.611 4.113 3.459) 5.409 22.929 ( 0.696 0.787 1.736) 2.029 23.293 ( -2.585 3.455 -2.301) 4.890 23.447 ( -1.974 -2.235 3.315) 4.459 23.524 ( -0.544 -2.551 4.429) 5.140 23.792 ( 2.858 0.566 -0.601) 2.975 23.926 ( -2.209 -4.713 -0.136) 5.207 24.574 ( 3.724 0.465 -5.009) 6.260 24.846 ( 1.716 -8.179 11.209) 13.982 24.991 ( -1.640 -6.387 5.512) 8.595 25.926 ( 3.889 6.750 -4.172) 8.837 26.137 ( -3.528 4.676 -5.442) 7.996 26.314 ( -1.577 6.380 -9.588) 11.624 27.274 ( -7.621 -6.160 0.060) 9.799 27.294 ( -1.677 -6.300 -4.445) 7.890 27.632 ( 5.100 -8.267 -1.766) 9.873 27.875 ( -3.006 0.532 -2.161) 3.740 28.014 ( -4.497 -2.024 10.139) 11.275 28.322 ( -6.624 1.435 -1.597) 6.963 28.424 ( 5.305 -4.401 -2.710) 7.407 28.594 ( -7.036 -4.568 1.394) 8.504 28.795 ( 4.511 -5.251 -0.758) 6.964 29.423 ( 8.450 3.931 -14.278) 17.050 29.621 ( 0.643 -13.469 -6.861) 15.130 29.829 ( -0.947 5.779 -1.815) 6.131 29.854 ( -2.676 0.542 -4.316) 5.107 30.094 ( 4.799 5.671 -2.249) 7.761 30.299 ( -3.703 -2.316 9.893) 10.814 30.403 ( 0.258 3.742 4.178) 5.614 31.124 ( 9.164 11.783 14.495) 20.807 31.272 ( -2.078 6.767 0.990) 7.148 31.542 ( -6.530 10.362 6.140) 13.701 31.926 ( 8.092 -5.771 -8.226) 12.901 32.796 ( 1.077 9.662 -0.517) 9.736 32.905 ( -3.698 2.536 1.448) 4.712 33.530 ( -0.180 8.961 -4.180) 9.889 34.056 ( 1.639 5.729 -2.727) 6.553 34.234 ( 0.051 -7.057 5.569) 8.990 34.681 ( 1.545 5.260 7.907) 9.622 35.223 ( 0.936 6.770 -5.180) 8.576 35.514 ( 0.010 -1.247 -0.738) 1.449 36.665 ( -5.237 -2.729 0.112) 5.906 37.043 ( 3.265 8.604 0.443) 9.213 37.652 ( -9.037 -6.150 2.047) 11.121 37.814 ( -2.260 -1.317 6.548) 7.051 37.923 ( 10.447 0.185 1.033) 10.500 38.239 ( -4.598 2.235 -0.423) 5.130 38.290 ( 3.820 1.305 -2.272) 4.633 38.574 ( -4.581 -4.357 -1.162) 6.428 38.849 ( 5.290 3.002 -2.943) 6.757 39.162 ( 1.676 0.325 0.424) 1.759 39.399 ( 0.577 -4.575 0.337) 4.624 39.543 ( 1.498 -2.103 -2.258) 3.430 49.112 ( -0.138 -2.818 0.759) 2.922 49.301 ( 0.777 -2.437 -1.062) 2.769 49.488 ( -0.331 1.749 1.262) 2.182 49.628 ( -0.040 2.255 -0.429) 2.295 86.579 ( 0.312 -0.080 -0.624) 0.702 86.671 ( -1.215 0.184 -2.377) 2.676 87.141 ( -2.689 3.350 6.465) 7.762 88.608 ( 0.831 -27.383 -9.419) 28.969 89.334 ( 1.560 -1.539 -0.109) 2.194 89.397 ( -1.598 -0.934 1.882) 2.640 89.507 ( -9.921 -8.423 -3.477) 13.470 89.543 ( -5.236 -7.919 -3.616) 10.158 89.822 ( 1.083 0.961 2.648) 3.018 90.400 ( 0.545 -14.932 10.373) 18.190 91.541 ( 4.651 -2.813 -18.445) 19.229 91.747 ( -2.305 5.259 -14.087) 15.212 91.941 ( -3.501 -1.197 -3.930) 5.398 92.423 ( 5.837 2.135 16.190) 17.342 92.665 ( 4.191 7.538 -8.862) 12.367 93.223 ( -0.616 7.472 11.464) 13.698 95.170 ( 0.095 -5.449 3.984) 6.751 95.715 ( -2.239 -0.073 3.842) 4.447 96.056 ( -0.892 -2.697 1.730) 3.326 96.284 ( -4.638 3.138 2.256) 6.037 96.534 ( 1.765 9.087 9.683) 13.396 96.854 ( -0.647 4.439 -4.308) 6.219 97.081 ( -0.303 -1.997 -1.795) 2.702 98.316 ( 11.011 25.099 -8.813) 28.790 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -28.610 19.631 -3.360) 34.860 2.009 ( -12.087 32.406 12.676) 36.836 2.861 ( -7.954 34.507 12.533) 37.565 3.341 ( -8.517 5.977 -3.412) 10.950 3.491 ( 13.454 11.325 11.701) 21.123 3.848 ( 2.087 -1.590 0.782) 2.737 3.918 ( -8.008 -15.695 -5.817) 18.555 4.161 ( 1.821 2.091 0.423) 2.805 4.342 ( -2.265 -1.875 3.112) 4.282 4.588 ( -1.322 1.856 1.671) 2.825 4.614 ( -0.441 -2.801 0.615) 2.901 4.651 ( -6.652 -4.893 -1.500) 8.393 4.867 ( -1.750 -9.377 -0.758) 9.569 5.078 ( -2.934 -8.082 -0.399) 8.608 5.101 ( 4.796 2.413 -0.911) 5.446 5.209 ( -1.464 2.765 3.613) 4.779 5.406 ( 0.452 -1.226 -4.063) 4.268 5.539 ( -11.175 2.506 0.003) 11.452 5.695 ( 8.903 9.871 5.288) 14.306 5.812 ( -0.158 9.553 1.383) 9.654 5.887 ( 1.085 -3.315 -3.769) 5.135 6.075 ( 3.833 2.870 2.023) 5.198 6.292 ( 2.006 -4.791 1.777) 5.490 6.428 ( 4.084 -8.557 7.083) 11.835 6.584 ( -3.903 -6.953 -0.608) 7.997 6.805 ( -0.596 -1.415 -3.239) 3.584 6.919 ( -3.677 -6.849 -1.513) 7.920 7.088 ( -1.303 -1.234 -5.989) 6.252 7.118 ( -1.307 -5.711 -0.264) 5.865 7.227 ( -6.363 -15.888 2.294) 17.268 7.495 ( 0.534 -1.113 -0.281) 1.266 7.895 ( 3.667 -3.505 -5.131) 7.215 8.048 ( -0.842 -2.970 4.009) 5.060 8.199 ( -2.842 -8.139 -3.648) 9.361 8.407 ( -9.823 7.539 -8.302) 14.908 8.622 ( -4.894 -11.777 6.678) 14.396 9.144 ( 16.444 -0.668 -7.882) 18.248 9.233 ( 10.645 6.974 -2.828) 13.037 9.391 ( 10.494 4.040 1.301) 11.320 9.781 ( 15.896 -4.740 -0.614) 16.599 10.091 ( 5.970 12.033 3.875) 13.980 10.725 ( 0.730 15.125 -9.208) 17.722 11.884 ( -0.808 3.381 0.368) 3.496 12.188 ( 5.835 2.152 0.044) 6.219 12.449 ( -5.436 7.133 1.868) 9.161 12.660 ( -5.448 2.247 -2.554) 6.423 12.828 ( 2.437 8.631 0.152) 8.970 12.907 ( -0.785 -1.885 0.601) 2.128 13.225 ( -0.660 0.162 2.250) 2.350 13.783 ( 5.409 -4.088 -1.759) 7.005 15.593 ( -1.221 0.204 -1.848) 2.224 15.673 ( -4.930 -2.629 0.384) 5.600 15.845 ( 0.486 -0.622 -0.165) 0.806 15.880 ( 1.495 -1.710 -1.299) 2.617 16.132 ( -1.690 -6.092 0.882) 6.384 16.267 ( -1.004 -6.105 -0.871) 6.248 16.391 ( 1.060 -1.575 1.074) 2.181 16.545 ( 1.839 -4.238 3.797) 5.980 16.807 ( 3.368 -0.594 -2.467) 4.217 17.055 ( -2.666 4.237 -6.679) 8.347 17.105 ( 3.243 2.897 3.272) 5.442 17.405 ( -3.072 0.744 -3.820) 4.958 21.835 ( -4.155 -4.989 2.348) 6.904 21.873 ( 3.042 -1.801 -0.183) 3.540 22.117 ( 0.183 -3.520 -1.954) 4.030 22.283 ( -1.443 2.232 3.188) 4.151 22.364 ( -4.370 -0.750 3.317) 5.537 22.495 ( 2.964 -0.807 0.556) 3.121 22.639 ( 1.866 -1.860 0.840) 2.766 22.730 ( 0.075 5.009 2.541) 5.617 22.973 ( 2.406 -0.014 3.260) 4.052 23.219 ( -3.920 2.302 -3.132) 5.521 23.431 ( -0.792 -2.481 1.961) 3.260 23.527 ( -1.737 -1.590 6.484) 6.899 23.830 ( 0.992 1.567 0.161) 1.862 23.890 ( -0.917 -2.412 -1.569) 3.020 24.615 ( 2.882 0.125 -4.408) 5.268 24.947 ( 1.932 -8.769 11.776) 14.809 24.994 ( -0.488 -5.964 4.956) 7.770 25.929 ( -1.445 1.943 -3.432) 4.200 26.052 ( -2.042 4.643 -9.251) 10.550 26.229 ( -2.488 7.721 -8.511) 11.757 26.939 ( -18.820 -3.754 3.828) 19.569 27.376 ( 3.827 -3.472 -5.149) 7.295 27.684 ( 2.059 -14.992 -6.306) 16.394 27.826 ( -3.047 0.464 2.830) 4.184 27.858 ( -12.554 -4.426 5.873) 14.550 28.218 ( -6.813 3.970 -0.497) 7.900 28.327 ( -7.382 -5.004 -1.762) 9.090 28.676 ( 7.085 -4.807 2.354) 8.879 28.785 ( -2.948 -5.615 -2.107) 6.682 29.540 ( 10.917 2.473 -14.765) 18.528 29.624 ( 3.256 -7.953 -6.259) 10.631 29.788 ( -2.017 -0.469 -0.871) 2.247 29.853 ( 4.679 9.740 -3.366) 11.318 30.197 ( 3.492 2.508 -0.414) 4.319 30.296 ( 0.576 6.413 9.540) 11.509 30.475 ( 5.408 6.268 1.635) 8.438 31.236 ( -0.321 1.880 1.189) 2.247 31.379 ( 1.899 7.860 10.427) 13.195 31.411 ( -2.920 7.388 8.858) 11.899 32.064 ( 9.457 -1.794 -9.030) 13.198 32.798 ( -2.559 -2.231 1.749) 3.819 32.910 ( 5.403 15.590 0.361) 16.504 33.480 ( -3.436 9.759 -1.724) 10.489 34.090 ( 3.969 0.809 -4.092) 5.758 34.288 ( 2.737 -8.429 4.223) 9.817 34.745 ( 1.058 4.537 8.973) 10.110 35.200 ( -1.209 7.313 -4.271) 8.555 35.509 ( -0.029 -1.803 -2.254) 2.886 36.531 ( -8.439 -0.744 1.600) 8.621 37.110 ( 3.884 4.643 -2.861) 6.696 37.519 ( -7.396 -6.298 5.784) 11.306 37.832 ( 1.013 0.179 6.210) 6.295 38.048 ( 1.715 4.616 -4.957) 6.987 38.170 ( -2.599 0.659 1.401) 3.025 38.345 ( 4.528 1.129 -3.543) 5.860 38.558 ( 4.169 -5.053 0.960) 6.621 38.910 ( 2.902 1.896 -5.288) 6.322 39.191 ( 0.972 -1.151 1.938) 2.455 39.432 ( 3.162 -1.549 1.258) 3.740 39.576 ( 3.050 -0.746 -2.493) 4.009 49.117 ( 0.354 -2.465 0.660) 2.576 49.306 ( 0.112 -2.783 -0.533) 2.835 49.490 ( 0.029 1.464 0.958) 1.750 49.617 ( -0.966 1.936 -0.185) 2.171 86.577 ( -0.069 0.278 -0.293) 0.409 86.636 ( -1.023 0.662 -2.269) 2.575 87.064 ( -8.302 1.712 6.079) 10.431 88.284 ( -30.507 -37.164 -16.701) 50.900 89.296 ( -1.832 -0.716 -1.875) 2.718 89.379 ( 2.504 -1.783 0.226) 3.083 89.396 ( -1.164 -2.017 4.715) 5.258 89.565 ( 1.513 0.563 1.954) 2.535 89.873 ( 2.634 1.066 3.522) 4.525 90.421 ( -2.480 -12.865 7.414) 15.054 91.505 ( 2.738 -2.858 -23.300) 23.634 91.646 ( -3.008 6.723 -6.750) 9.990 91.929 ( 3.413 -6.246 -3.340) 7.862 92.599 ( 4.437 1.123 14.961) 15.646 92.717 ( 6.233 7.987 -10.104) 14.308 93.265 ( -0.366 7.320 9.044) 11.641 95.190 ( -0.421 -4.500 5.553) 7.160 95.694 ( -2.024 0.675 4.876) 5.323 96.046 ( -1.086 -2.466 1.872) 3.281 96.211 ( -3.918 4.958 0.705) 6.359 96.598 ( 0.787 5.746 8.497) 10.287 96.840 ( 0.355 3.459 -2.464) 4.261 97.052 ( -1.737 -0.235 -1.238) 2.146 98.578 ( 21.975 23.724 -11.856) 34.443 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -20.803 28.482 0.384) 35.272 1.922 ( -5.898 36.197 16.993) 40.420 2.741 ( -10.119 45.584 15.071) 49.065 3.175 ( -5.795 5.341 -6.226) 10.043 3.698 ( 1.619 7.336 6.837) 10.158 3.710 ( -8.746 -11.034 -2.124) 14.239 3.976 ( 9.966 -2.738 0.732) 10.362 4.208 ( 1.269 0.798 4.543) 4.784 4.296 ( -3.115 -3.330 0.954) 4.659 4.509 ( -4.259 -0.521 1.984) 4.727 4.587 ( -0.846 -0.537 0.233) 1.029 4.675 ( 1.656 -7.921 2.361) 8.430 4.789 ( -5.690 -4.685 -3.485) 8.153 5.008 ( -2.496 -7.497 -0.370) 7.910 5.112 ( -1.345 -5.398 -3.972) 6.835 5.245 ( 2.834 -0.632 3.954) 4.906 5.294 ( -5.826 4.578 -2.668) 7.875 5.501 ( 3.820 0.115 2.070) 4.347 5.759 ( -0.882 7.874 1.886) 8.144 5.873 ( 2.603 9.869 1.298) 10.289 6.010 ( 9.418 -3.078 1.686) 10.051 6.116 ( 0.455 -3.307 -1.535) 3.674 6.275 ( -3.560 -2.637 1.307) 4.619 6.453 ( -5.568 -6.394 -1.317) 8.581 6.557 ( 4.256 -13.358 6.246) 15.348 6.815 ( -2.286 -0.606 -2.506) 3.446 6.854 ( -0.078 -5.147 -3.388) 6.162 6.869 ( -7.548 -13.661 -3.097) 15.912 7.041 ( -6.199 -7.663 -2.637) 10.202 7.401 ( 13.620 -2.106 0.654) 13.797 7.472 ( -0.897 2.040 -3.416) 4.079 7.889 ( -6.888 -7.319 -1.754) 10.203 7.971 ( -0.626 4.340 -5.655) 7.155 8.194 ( 1.815 0.147 1.794) 2.556 8.255 ( -3.601 6.212 -1.712) 7.382 8.513 ( -8.347 -12.871 3.206) 15.672 9.376 ( 11.364 2.720 -6.481) 13.362 9.452 ( 10.017 10.037 -1.834) 14.298 9.626 ( 13.870 4.368 2.266) 14.717 9.980 ( 4.374 -7.641 1.786) 8.984 10.214 ( 5.281 11.128 1.548) 12.415 10.734 ( 6.298 10.951 -12.834) 18.008 11.930 ( 5.406 2.026 0.990) 5.858 12.222 ( -4.931 -2.337 1.784) 5.741 12.384 ( -0.162 8.302 0.372) 8.312 12.557 ( -4.021 2.355 -0.962) 4.758 12.866 ( 1.022 7.189 0.267) 7.266 12.898 ( -0.571 -2.791 1.076) 3.046 13.222 ( -0.589 1.611 2.357) 2.915 13.869 ( 4.444 -3.045 -2.948) 6.141 15.557 ( -1.778 -1.277 -1.241) 2.516 15.599 ( -2.818 -1.779 0.058) 3.332 15.848 ( 0.260 -0.171 -0.915) 0.966 15.890 ( 0.143 -0.964 -1.322) 1.642 16.096 ( -1.846 -6.504 -0.178) 6.763 16.260 ( 0.194 -5.041 1.444) 5.247 16.413 ( 0.444 -2.242 1.755) 2.882 16.606 ( 2.675 -2.117 0.584) 3.461 16.847 ( 1.329 -0.280 -1.629) 2.121 16.978 ( -1.388 3.891 -6.605) 7.791 17.164 ( 1.611 1.966 1.930) 3.191 17.345 ( -1.250 -0.050 -2.513) 2.807 21.787 ( -2.126 -5.587 2.132) 6.346 21.919 ( 1.943 -1.293 2.532) 3.443 22.163 ( 4.278 -3.533 0.672) 5.589 22.261 ( -2.175 0.494 2.358) 3.246 22.298 ( -3.370 0.981 2.170) 4.127 22.520 ( -0.982 -0.561 1.169) 1.627 22.689 ( 3.044 -3.489 -1.529) 4.876 22.739 ( -0.493 5.459 4.324) 6.981 23.015 ( -0.061 -1.058 2.227) 2.467 23.139 ( -2.299 0.407 -3.134) 3.908 23.436 ( -0.369 -1.570 3.247) 3.626 23.526 ( -1.482 -1.731 5.941) 6.363 23.840 ( 0.822 -0.339 0.613) 1.080 23.877 ( -0.033 2.836 -1.720) 3.317 24.637 ( 1.522 -0.242 -3.871) 4.167 24.963 ( -3.504 -6.307 6.329) 9.598 25.034 ( 0.096 -6.846 6.671) 9.559 25.849 ( -3.976 0.195 -8.728) 9.593 25.999 ( 1.574 0.816 -6.526) 6.762 26.160 ( -1.490 7.975 -5.305) 9.693 26.671 ( -12.142 -0.352 7.174) 14.108 27.394 ( 0.499 -1.822 -3.270) 3.777 27.608 ( -7.871 -2.704 -3.765) 9.134 27.694 ( -5.953 -12.378 -0.007) 13.735 27.790 ( -0.404 -4.815 -0.221) 4.837 28.080 ( -5.906 6.536 0.035) 8.809 28.262 ( -0.495 -5.267 4.010) 6.638 28.638 ( -4.027 -7.165 -4.387) 9.316 28.868 ( 5.658 -1.518 4.551) 7.418 29.642 ( 6.247 -6.127 -15.810) 18.070 29.660 ( 3.130 -7.519 -4.017) 9.081 29.776 ( 1.360 10.664 0.731) 10.775 29.974 ( 8.761 10.368 -1.800) 13.693 30.165 ( -5.676 0.957 2.588) 6.311 30.404 ( 4.210 13.146 7.145) 15.543 30.596 ( 6.398 6.260 -0.305) 8.956 31.211 ( -5.008 3.251 -1.413) 6.135 31.276 ( -0.926 1.741 -0.556) 2.049 31.581 ( 1.808 0.738 18.697) 18.799 32.160 ( 5.729 2.626 -9.945) 11.774 32.766 ( -0.974 -0.143 1.683) 1.950 33.052 ( 7.660 14.218 3.236) 16.471 33.396 ( -5.154 10.102 0.491) 11.352 34.165 ( 6.804 -6.526 -7.645) 12.138 34.356 ( 2.242 -8.490 4.128) 9.703 34.796 ( 0.094 2.156 7.516) 7.820 35.122 ( -6.116 5.498 -1.795) 8.418 35.496 ( 1.089 -0.588 -5.409) 5.548 36.412 ( -5.369 2.411 4.671) 7.514 37.150 ( 2.938 1.869 -6.804) 7.643 37.428 ( -5.905 -6.101 7.773) 11.511 37.915 ( 5.131 0.951 5.204) 7.370 37.973 ( -4.894 3.909 -5.449) 8.302 38.138 ( -1.890 0.237 2.262) 2.957 38.430 ( 6.011 0.880 -5.353) 8.097 38.687 ( 5.267 -7.913 3.811) 10.241 38.916 ( 2.777 1.962 -9.705) 10.284 39.203 ( -0.883 -3.749 0.996) 3.978 39.533 ( 6.267 2.393 -0.373) 6.719 39.622 ( 3.082 0.501 -2.337) 3.900 49.130 ( 0.678 -1.969 0.623) 2.174 49.298 ( -0.759 -2.771 -0.167) 2.878 49.498 ( 0.324 1.150 0.612) 1.342 49.591 ( -1.749 1.676 -0.084) 2.424 86.578 ( -0.142 0.279 0.388) 0.499 86.636 ( 3.234 1.469 -2.372) 4.272 86.925 ( -8.151 0.732 4.349) 9.267 87.514 ( -38.254 -18.989 -13.170) 44.692 89.348 ( 4.565 -0.957 4.950) 6.801 89.395 ( -0.549 -1.848 4.654) 5.037 89.432 ( 1.865 -2.547 1.592) 3.535 89.596 ( 0.548 0.979 2.494) 2.735 89.937 ( 1.990 1.576 4.432) 5.107 90.390 ( -3.933 -12.559 5.785) 14.376 91.454 ( 4.057 -4.624 -23.863) 24.643 91.588 ( -0.776 7.192 -2.415) 7.626 91.999 ( 4.950 -7.050 -2.385) 8.938 92.689 ( -0.475 -0.457 8.066) 8.093 92.802 ( 6.384 8.858 -6.813) 12.870 93.282 ( -1.355 4.209 4.820) 6.541 95.200 ( -1.898 -3.047 6.784) 7.675 95.693 ( -0.997 1.680 6.986) 7.254 96.034 ( -1.106 -2.233 1.535) 2.927 96.158 ( -1.826 6.941 1.023) 7.250 96.646 ( -0.443 4.269 9.967) 10.852 96.828 ( 0.155 0.018 -4.406) 4.409 97.021 ( -1.148 2.516 0.595) 2.829 98.941 ( 22.522 15.616 -20.993) 34.523 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 7.345 30.468 9.311) 32.694 2.599 ( -1.702 30.463 12.595) 33.008 3.236 ( 1.882 0.184 -3.089) 3.622 3.361 ( 11.709 -2.957 0.649) 12.094 3.517 ( -4.289 17.090 0.556) 17.629 3.760 ( -5.162 7.357 -1.062) 9.050 3.999 ( -0.513 -11.855 8.258) 14.457 4.114 ( -0.201 -2.215 -4.056) 4.626 4.302 ( -1.681 4.811 3.621) 6.252 4.371 ( -2.670 -0.543 0.385) 2.752 4.446 ( 0.363 -8.615 -6.982) 11.095 4.644 ( 0.715 -4.292 5.167) 6.755 4.759 ( -7.649 4.257 6.369) 10.826 4.870 ( 3.789 0.728 -0.714) 3.924 5.025 ( -1.246 0.944 -6.942) 7.116 5.324 ( 4.432 2.885 -4.949) 7.242 5.424 ( 0.588 3.866 2.432) 4.605 5.483 ( -5.882 -4.653 -0.012) 7.500 5.701 ( -3.160 -7.197 -0.723) 7.894 5.809 ( 0.199 -3.645 -3.084) 4.778 6.002 ( -0.906 -7.713 1.454) 7.901 6.082 ( -5.951 -0.414 -1.118) 6.069 6.190 ( 2.534 2.431 -0.444) 3.540 6.327 ( -3.099 -5.692 -2.473) 6.937 6.412 ( -1.729 -10.429 7.351) 12.876 6.570 ( 6.413 -2.853 10.189) 12.373 6.688 ( 0.339 -1.364 -4.705) 4.910 6.872 ( 1.099 -4.798 -3.855) 6.252 6.960 ( 3.458 5.155 1.891) 6.489 7.449 ( -0.132 -1.917 -6.834) 7.099 7.550 ( 6.188 -7.464 2.031) 9.906 7.736 ( -5.726 0.533 6.124) 8.401 7.942 ( 3.690 0.364 -5.948) 7.009 8.182 ( -5.697 -5.056 -0.312) 7.623 8.233 ( -2.439 1.192 -1.567) 3.134 8.433 ( 4.011 5.885 2.116) 7.429 9.441 ( 2.111 -5.134 -4.173) 6.945 9.668 ( -2.285 3.061 -5.897) 7.026 9.825 ( -4.341 3.056 4.287) 6.824 10.059 ( 5.275 6.652 -1.225) 8.578 10.428 ( -0.324 4.987 0.483) 5.021 10.904 ( 5.260 3.097 -7.349) 9.553 12.020 ( -2.022 -0.524 1.442) 2.538 12.113 ( 0.040 0.193 -0.920) 0.941 12.439 ( 1.292 -0.129 3.272) 3.520 12.589 ( -0.008 2.712 0.506) 2.759 12.812 ( -0.174 -2.259 0.887) 2.433 13.027 ( -1.088 6.914 -2.425) 7.407 13.307 ( 1.527 3.088 3.386) 4.830 13.822 ( -0.666 -3.634 -3.148) 4.854 15.496 ( -0.031 -1.243 -0.357) 1.293 15.557 ( 0.273 -0.618 -0.611) 0.911 15.832 ( -1.808 -0.303 -1.510) 2.376 15.882 ( 1.935 -0.664 -1.835) 2.748 15.970 ( 0.293 -4.426 1.585) 4.710 16.166 ( -0.856 -5.113 5.305) 7.417 16.418 ( 0.717 0.433 2.542) 2.677 16.589 ( -2.617 -0.655 -4.376) 5.141 16.827 ( -0.538 -0.482 -4.850) 4.904 17.025 ( 3.224 2.371 -5.530) 6.826 17.205 ( -1.015 1.079 0.361) 1.525 17.355 ( 2.913 0.318 0.258) 2.941 21.689 ( -0.134 -3.042 2.577) 3.989 21.963 ( 2.576 0.197 3.184) 4.101 22.123 ( 1.521 -4.618 1.641) 5.131 22.272 ( -4.355 0.958 1.322) 4.651 22.293 ( 0.136 1.287 1.981) 2.366 22.479 ( 1.633 -1.860 2.867) 3.787 22.671 ( -0.388 -0.873 -3.455) 3.584 22.828 ( -2.042 4.301 2.438) 5.350 22.971 ( -2.607 -1.621 0.619) 3.131 23.082 ( 1.064 -1.595 -3.961) 4.400 23.427 ( -2.717 0.058 5.201) 5.868 23.485 ( 0.342 -1.683 2.718) 3.216 23.846 ( 1.230 -1.226 4.224) 4.567 23.953 ( -0.578 3.599 -3.225) 4.867 24.639 ( 0.530 0.683 -2.995) 3.117 24.831 ( -3.649 -3.519 3.239) 6.016 24.950 ( -1.435 -3.740 6.007) 7.220 25.730 ( 0.931 -2.054 -8.782) 9.067 26.023 ( 5.340 -0.077 -15.844) 16.720 26.257 ( 0.331 4.707 -0.526) 4.748 26.664 ( 1.104 4.678 10.202) 11.278 27.345 ( -2.632 -0.267 -1.145) 2.882 27.477 ( 0.046 -2.281 -2.613) 3.469 27.550 ( 4.664 -5.726 3.156) 8.031 27.701 ( 1.174 -2.086 0.744) 2.506 28.025 ( -4.028 -2.060 -3.650) 5.813 28.209 ( 0.455 -3.763 3.242) 4.988 28.596 ( -0.022 7.881 -5.622) 9.681 28.956 ( 1.335 1.268 9.133) 9.317 29.349 ( 2.192 -17.356 -4.524) 18.069 29.506 ( 0.863 -7.697 -9.980) 12.633 30.041 ( 0.170 6.442 1.659) 6.655 30.139 ( -3.466 5.917 0.869) 6.912 30.351 ( 5.229 10.675 -7.639) 14.130 30.721 ( -2.314 9.114 2.635) 9.766 30.757 ( 0.206 6.577 -2.281) 6.964 31.154 ( -2.546 -1.478 -1.094) 3.141 31.222 ( 1.477 -4.950 2.300) 5.655 31.615 ( -5.700 1.185 17.806) 18.734 32.297 ( 3.527 5.533 -4.992) 8.245 32.809 ( 0.478 1.326 3.574) 3.842 33.390 ( -1.326 10.380 -0.781) 10.494 33.511 ( 0.328 7.010 -0.587) 7.043 34.004 ( 3.118 -10.364 -6.588) 12.671 34.254 ( 0.129 -6.168 7.330) 9.581 34.820 ( -5.436 2.103 4.053) 7.100 35.090 ( -1.865 2.673 -1.033) 3.419 35.489 ( 3.493 -2.174 -6.023) 7.294 36.461 ( -1.197 3.996 7.070) 8.209 37.172 ( 1.622 -0.096 0.288) 1.650 37.257 ( -2.761 -5.970 7.540) 10.006 37.930 ( -3.804 3.141 -1.593) 5.184 38.057 ( 4.690 -0.270 1.415) 4.906 38.113 ( 1.072 -1.614 2.041) 2.814 38.474 ( -1.363 -0.413 -5.589) 5.768 38.632 ( 0.711 -1.311 2.722) 3.104 38.901 ( 2.297 -3.706 -8.997) 9.998 39.113 ( -0.541 -1.832 -0.576) 1.995 39.602 ( -1.950 1.542 -3.456) 4.257 39.662 ( 0.463 -0.261 -2.168) 2.232 49.112 ( 0.056 -1.117 0.534) 1.239 49.252 ( -0.204 -0.963 -0.929) 1.353 49.521 ( 0.009 0.728 0.635) 0.966 49.599 ( -0.180 1.139 -0.210) 1.172 86.568 ( -1.306 0.010 0.721) 1.492 86.774 ( 7.267 2.968 -1.571) 8.005 86.818 ( -8.411 -0.149 0.395) 8.421 86.999 ( 4.348 -5.069 -0.915) 6.741 89.381 ( -0.419 -0.503 2.099) 2.199 89.404 ( -0.120 -1.312 0.026) 1.318 89.442 ( 4.469 -1.925 8.135) 9.480 89.631 ( -1.100 1.740 1.592) 2.602 89.991 ( 1.321 -1.774 1.677) 2.776 90.125 ( -7.289 -5.947 7.221) 11.859 91.330 ( 4.474 -3.879 -21.635) 22.431 91.731 ( 2.662 5.241 3.042) 6.619 91.952 ( 4.975 -5.545 -3.070) 8.058 92.670 ( -4.119 0.348 3.170) 5.209 92.958 ( 3.566 2.255 -4.218) 5.965 93.325 ( -3.802 4.433 -6.251) 8.555 95.153 ( -3.965 -0.750 8.909) 9.781 95.757 ( -0.346 1.672 7.313) 7.509 95.988 ( -0.233 -1.759 0.709) 1.911 96.307 ( 0.619 6.558 6.052) 8.945 96.715 ( -5.237 2.686 7.894) 9.846 96.773 ( 4.437 -3.560 -5.239) 7.733 97.104 ( -0.319 4.130 2.237) 4.707 99.186 ( 1.681 2.995 -20.428) 20.715 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 19.744 24.749 12.779) 34.142 2.658 ( 2.002 28.680 11.919) 31.123 3.259 ( -0.231 7.031 2.713) 7.540 3.455 ( -0.841 10.782 -7.450) 13.132 3.610 ( 8.414 -10.156 1.218) 13.245 3.715 ( 1.819 10.356 1.719) 10.655 3.989 ( -1.081 -0.736 9.944) 10.029 4.048 ( -2.983 -6.938 -9.254) 11.944 4.230 ( -7.221 5.676 5.609) 10.762 4.334 ( -0.875 4.188 1.047) 4.405 4.470 ( 3.384 -7.464 -5.059) 9.631 4.657 ( 2.887 -0.073 1.325) 3.177 4.812 ( 7.315 -5.816 6.128) 11.175 4.924 ( 0.783 -3.233 -1.070) 3.494 5.005 ( 1.971 1.617 -5.301) 5.882 5.231 ( -8.920 -8.907 -2.364) 12.825 5.371 ( -1.700 2.205 -3.793) 4.705 5.503 ( 5.778 2.690 -1.009) 6.453 5.739 ( 1.814 -3.330 2.610) 4.603 5.818 ( 3.233 -2.336 -2.809) 4.879 5.954 ( -3.350 2.425 -3.767) 5.594 6.025 ( 0.062 -8.817 3.309) 9.418 6.178 ( -4.105 3.149 -0.454) 5.194 6.313 ( 2.418 -7.253 -0.369) 7.654 6.441 ( 2.195 -5.300 4.025) 7.007 6.660 ( 1.701 3.070 -6.064) 7.007 6.720 ( 2.208 -5.085 5.365) 7.715 6.906 ( 3.602 -4.771 -2.401) 6.442 7.024 ( 1.017 3.141 7.942) 8.601 7.427 ( 1.621 -0.553 -7.071) 7.276 7.595 ( -6.127 -6.392 8.645) 12.374 7.647 ( -2.662 -4.258 2.610) 5.660 8.036 ( 6.790 1.068 -4.878) 8.428 8.080 ( -5.462 -4.416 -2.294) 7.389 8.185 ( 1.232 -0.548 -6.281) 6.424 8.555 ( 7.222 4.749 3.392) 9.285 9.372 ( -7.437 -3.344 -4.164) 9.155 9.489 ( -12.037 2.079 -8.597) 14.937 9.662 ( -12.773 3.043 4.070) 13.747 10.020 ( -9.551 1.431 0.565) 9.674 10.394 ( -3.981 5.486 2.190) 7.123 10.986 ( 5.712 4.851 -5.035) 9.029 11.958 ( -2.692 4.703 -1.069) 5.523 12.161 ( 3.640 -4.581 0.539) 5.876 12.537 ( 5.653 2.424 3.111) 6.893 12.600 ( 1.644 2.063 0.738) 2.739 12.831 ( 1.766 -1.659 0.874) 2.576 12.989 ( -1.352 6.611 -3.235) 7.483 13.336 ( -0.667 3.921 4.583) 6.068 13.749 ( -5.001 -4.370 -3.913) 7.708 15.528 ( 3.494 -0.847 -0.441) 3.622 15.584 ( 2.756 -0.754 -0.440) 2.891 15.783 ( -2.099 -0.488 -2.157) 3.049 15.909 ( 1.446 -0.999 -1.277) 2.172 15.995 ( 1.264 -3.773 2.375) 4.634 16.170 ( -1.486 -6.279 5.172) 8.269 16.439 ( -0.941 1.225 2.123) 2.626 16.482 ( -4.411 -1.509 -3.487) 5.821 16.784 ( -0.721 -0.324 -6.763) 6.809 17.074 ( 3.163 3.628 -3.518) 5.962 17.173 ( -1.433 0.244 -1.227) 1.903 17.438 ( 4.842 0.500 0.956) 4.961 21.710 ( 0.717 -2.548 2.532) 3.663 22.033 ( 2.033 -0.199 4.607) 5.039 22.145 ( -1.941 -4.468 3.434) 5.960 22.202 ( -0.212 0.971 -0.461) 1.095 22.288 ( -0.412 -0.075 0.917) 1.008 22.557 ( 0.652 0.367 2.910) 3.005 22.596 ( -2.775 -1.528 -2.199) 3.856 22.791 ( -2.515 3.698 0.306) 4.483 22.923 ( -2.013 -2.315 -0.412) 3.096 23.149 ( 6.430 -1.152 -0.313) 6.540 23.393 ( -2.277 -1.279 3.808) 4.617 23.505 ( 0.158 0.253 1.741) 1.767 23.868 ( -1.714 0.619 1.879) 2.618 23.916 ( -1.300 0.202 -1.111) 1.722 24.624 ( -0.710 1.803 -3.518) 4.017 24.765 ( -4.521 -4.650 2.216) 6.854 24.941 ( -2.541 -4.084 6.046) 7.726 25.752 ( 5.798 1.947 -8.665) 10.606 26.109 ( 11.346 -4.265 -16.041) 20.106 26.293 ( 3.408 4.969 -0.025) 6.025 26.802 ( 7.432 7.024 10.980) 15.004 27.299 ( -0.057 -0.813 -2.471) 2.602 27.520 ( 3.012 -4.767 0.605) 5.672 27.658 ( 4.422 -3.929 5.694) 8.211 27.761 ( 4.403 -0.476 -0.245) 4.436 28.006 ( 6.035 -1.499 -6.788) 9.205 28.227 ( 0.125 -6.613 2.658) 7.128 28.572 ( -0.097 3.017 -4.370) 5.311 28.994 ( -2.338 3.471 9.115) 10.030 29.341 ( 0.944 -12.527 -9.478) 15.737 29.483 ( -0.195 -10.590 -5.173) 11.788 30.006 ( -3.968 5.029 1.092) 6.499 30.095 ( -0.822 5.996 -0.897) 6.118 30.346 ( -1.955 8.891 -7.211) 11.613 30.598 ( -11.266 5.438 4.671) 13.354 30.706 ( -4.848 4.541 -0.054) 6.643 31.136 ( 0.373 2.977 -2.989) 4.235 31.289 ( 4.528 -4.692 1.605) 6.715 31.577 ( -6.253 3.020 14.397) 15.984 32.292 ( -2.391 8.909 -1.747) 9.389 32.843 ( 0.802 -2.236 5.653) 6.131 33.286 ( -7.576 10.976 -1.766) 13.453 33.534 ( 2.127 3.243 -2.761) 4.760 34.055 ( 4.334 -7.596 -5.556) 10.361 34.275 ( -1.859 -3.035 9.855) 10.478 34.738 ( -3.791 4.295 0.794) 5.784 35.104 ( 3.665 0.860 -3.030) 4.832 35.519 ( 1.981 -1.986 -3.452) 4.448 36.494 ( 1.321 3.305 6.587) 7.487 37.199 ( 1.028 1.975 0.972) 2.429 37.292 ( 2.947 -5.557 6.745) 9.223 37.866 ( -3.201 2.852 0.970) 4.395 38.107 ( 1.942 -1.985 0.270) 2.790 38.206 ( 5.694 -0.770 2.481) 6.259 38.363 ( -7.596 -3.393 -6.963) 10.849 38.624 ( -2.127 2.454 2.530) 4.117 38.909 ( 2.089 -4.586 -7.260) 8.838 39.107 ( 0.560 0.086 -1.890) 1.973 39.478 ( -8.166 1.174 -3.338) 8.900 39.634 ( -2.307 -0.183 -1.630) 2.831 49.104 ( -1.136 -1.220 0.795) 1.847 49.247 ( 0.297 -0.904 -1.329) 1.634 49.523 ( -0.178 1.016 0.862) 1.344 49.610 ( 1.412 1.038 -0.470) 1.815 86.550 ( -0.418 0.069 -0.345) 0.546 86.700 ( -3.697 -0.263 0.455) 3.734 86.918 ( 9.710 6.371 -0.534) 11.626 87.293 ( 23.321 -12.653 -2.320) 26.634 89.362 ( -1.992 -0.875 -0.487) 2.229 89.400 ( -0.588 -1.073 2.594) 2.868 89.571 ( 4.111 -3.895 11.261) 12.605 89.601 ( -2.646 1.287 0.955) 3.094 89.998 ( -3.932 1.468 5.897) 7.238 90.016 ( -4.755 -9.891 0.755) 11.001 91.332 ( 5.845 -4.006 -18.690) 19.988 91.827 ( 5.514 5.288 3.860) 8.559 92.018 ( 3.997 -4.909 -4.068) 7.525 92.566 ( -8.046 1.109 0.652) 8.148 92.960 ( -1.675 4.956 -5.195) 7.372 93.237 ( -1.950 1.699 -4.048) 4.804 95.117 ( -3.900 -1.079 7.716) 8.713 95.772 ( -1.442 1.379 6.137) 6.454 95.990 ( 0.020 -2.021 0.789) 2.169 96.354 ( 0.339 5.423 9.003) 10.516 96.663 ( -2.688 5.069 2.946) 6.450 96.842 ( 4.022 -4.367 -0.403) 5.950 97.102 ( -1.013 4.187 1.692) 4.628 99.018 ( -8.047 6.403 -20.513) 22.946 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 15.541 19.183 10.523) 26.837 2.775 ( 4.840 26.344 8.817) 28.199 3.225 ( -5.245 9.372 4.291) 11.565 3.415 ( 0.948 7.956 -7.868) 11.230 3.555 ( -10.105 1.401 0.609) 10.220 3.776 ( -1.707 -7.650 -3.171) 8.455 3.945 ( 3.383 -0.475 -1.212) 3.625 4.129 ( 5.311 -3.822 2.751) 7.099 4.182 ( -1.262 -1.925 -0.247) 2.315 4.370 ( 2.295 2.897 5.556) 6.673 4.561 ( 9.910 4.252 1.560) 10.895 4.736 ( 2.368 -3.489 3.143) 5.259 4.825 ( -6.200 -4.876 -3.428) 8.600 4.946 ( 3.416 -6.749 -1.622) 7.736 5.115 ( 11.941 2.401 -4.832) 13.103 5.164 ( -0.515 -0.509 9.344) 9.372 5.343 ( 0.321 0.286 -3.433) 3.460 5.605 ( 6.637 3.800 -3.605) 8.455 5.737 ( -0.848 -0.812 -0.588) 1.313 5.896 ( 1.988 1.728 -0.400) 2.664 5.913 ( 2.800 2.890 -0.603) 4.069 6.029 ( -3.486 -7.240 -1.456) 8.166 6.138 ( 2.772 -0.433 4.582) 5.373 6.328 ( -3.057 -1.489 3.352) 4.775 6.513 ( 2.098 -3.072 -0.031) 3.720 6.642 ( 0.668 -1.077 -9.191) 9.278 6.727 ( -0.806 -1.196 -0.747) 1.624 6.996 ( 5.573 -6.245 6.207) 10.420 7.073 ( 1.682 -3.230 3.444) 5.013 7.413 ( -3.625 4.979 -0.117) 6.159 7.533 ( -0.130 -3.100 4.480) 5.450 7.634 ( -1.140 -13.000 4.967) 13.963 7.924 ( -8.989 -4.881 -4.975) 11.374 8.032 ( -4.718 -8.823 -5.558) 11.445 8.302 ( 12.485 5.793 -5.314) 14.754 8.710 ( 7.785 2.853 1.852) 8.496 9.139 ( -11.853 3.290 -10.627) 16.256 9.244 ( -11.266 -6.845 -2.223) 13.369 9.448 ( -11.597 2.570 4.598) 12.738 9.771 ( -15.366 -0.739 -1.730) 15.480 10.306 ( -6.824 6.340 5.366) 10.750 11.044 ( 2.830 7.452 -4.461) 9.134 11.932 ( 0.401 5.093 -1.592) 5.351 12.214 ( 1.381 -2.862 -0.070) 3.178 12.587 ( 0.855 6.933 1.049) 7.064 12.712 ( 7.238 -0.477 1.982) 7.520 12.875 ( 2.024 -1.295 0.696) 2.502 12.961 ( 0.274 7.405 -3.209) 8.075 13.319 ( -3.193 3.931 4.042) 6.480 13.628 ( -5.551 -6.488 -3.341) 9.169 15.603 ( 4.213 -0.074 -1.254) 4.396 15.642 ( 3.528 -1.087 -0.365) 3.710 15.752 ( -0.068 -0.168 -0.914) 0.932 15.911 ( -0.783 -1.366 -1.679) 2.302 16.029 ( 0.863 -3.269 2.899) 4.453 16.158 ( -1.994 -7.065 4.293) 8.504 16.352 ( -4.260 -2.654 -0.930) 5.105 16.483 ( 0.951 1.662 1.623) 2.510 16.747 ( 0.206 -0.874 -6.800) 6.859 17.070 ( -1.896 3.166 -0.315) 3.704 17.179 ( 3.041 1.181 -4.814) 5.815 17.515 ( 2.868 0.809 -0.032) 2.980 21.727 ( 0.096 -2.055 1.111) 2.338 22.023 ( -5.086 -1.374 6.701) 8.524 22.147 ( 1.955 -1.760 -1.308) 2.938 22.244 ( 3.129 0.480 -0.712) 3.245 22.311 ( 1.815 -1.441 3.749) 4.407 22.453 ( -5.973 -1.246 -2.486) 6.588 22.618 ( -0.064 0.067 2.897) 2.898 22.744 ( -2.254 2.070 -0.144) 3.063 22.920 ( 1.160 -0.326 1.295) 1.769 23.278 ( 6.475 -0.468 1.454) 6.653 23.393 ( 0.281 -1.686 3.865) 4.226 23.502 ( -1.211 0.938 1.307) 2.014 23.804 ( -3.303 1.522 -3.379) 4.964 23.899 ( -2.024 -3.381 3.103) 5.016 24.579 ( -2.020 1.271 -3.183) 3.978 24.708 ( -2.560 -4.483 2.335) 5.666 24.916 ( -3.057 -4.240 6.212) 8.119 25.850 ( 8.480 4.709 -7.624) 12.337 26.243 ( 9.808 -3.971 -16.473) 19.578 26.366 ( 4.722 4.285 -2.056) 6.699 26.986 ( 6.450 8.801 8.155) 13.622 27.342 ( 5.749 -2.822 -1.787) 6.649 27.519 ( -4.061 -10.541 0.484) 11.307 27.780 ( 6.595 2.894 5.198) 8.882 27.843 ( 4.342 -1.858 -0.358) 4.737 28.158 ( 7.658 -0.101 -1.356) 7.778 28.274 ( 7.800 -5.282 -1.373) 9.520 28.559 ( 0.993 -5.311 -3.322) 6.343 28.926 ( -10.323 5.371 10.157) 15.446 29.321 ( 2.366 -8.570 -11.391) 14.450 29.441 ( -0.676 -10.369 -7.742) 12.957 29.941 ( -2.350 3.777 -1.736) 4.776 30.093 ( -0.079 5.082 0.896) 5.161 30.235 ( -5.823 5.419 -6.130) 10.043 30.402 ( -11.585 3.336 6.526) 13.709 30.586 ( -9.246 -0.888 5.296) 10.692 31.136 ( 1.408 8.618 -1.579) 8.874 31.401 ( 7.769 -2.888 -1.860) 8.495 31.525 ( -5.350 4.084 9.458) 11.609 32.193 ( -8.523 11.064 2.496) 14.187 32.875 ( -1.074 -5.980 6.714) 9.055 33.146 ( -5.199 10.707 -3.180) 12.320 33.559 ( 2.637 1.141 -4.789) 5.585 34.073 ( -0.324 -6.232 -3.042) 6.942 34.296 ( -0.650 4.114 8.429) 9.402 34.711 ( 0.646 6.925 0.912) 7.015 35.171 ( 5.298 -1.284 -5.149) 7.499 35.524 ( -0.445 -1.752 -0.686) 1.933 36.564 ( 2.994 0.810 5.010) 5.892 37.216 ( 0.043 5.190 1.340) 5.360 37.425 ( 8.311 -4.469 5.892) 11.124 37.811 ( -3.775 0.894 2.786) 4.776 38.101 ( -13.272 -3.120 -5.758) 14.800 38.169 ( 3.559 0.933 0.246) 3.687 38.326 ( 3.569 -3.794 -0.442) 5.228 38.596 ( -2.710 2.447 4.621) 5.890 38.898 ( 0.485 -0.671 -6.870) 6.920 39.118 ( 1.772 0.982 -2.511) 3.226 39.340 ( -4.755 -2.042 -1.053) 5.281 39.569 ( -3.526 -0.875 -1.780) 4.045 49.085 ( -1.283 -1.444 0.968) 2.161 49.250 ( 0.737 -1.004 -1.655) 2.071 49.523 ( -0.384 1.118 1.195) 1.681 49.637 ( 1.613 1.102 -0.697) 2.074 86.553 ( 0.922 0.219 -0.651) 1.150 86.673 ( -0.157 -0.687 0.511) 0.870 87.108 ( 10.057 9.671 -0.025) 13.953 87.716 ( 22.649 -20.696 -5.760) 31.217 89.321 ( -1.795 -1.087 -0.780) 2.238 89.400 ( -1.084 -0.835 3.703) 3.948 89.549 ( -3.115 0.348 0.913) 3.265 89.657 ( -1.515 -7.246 7.447) 10.501 89.890 ( -6.168 -2.249 3.427) 7.406 90.007 ( 0.261 -5.164 5.015) 7.203 91.368 ( 6.530 -3.909 -15.519) 17.285 91.922 ( 4.115 3.296 -9.475) 10.843 92.089 ( 5.096 -1.968 5.125) 7.490 92.390 ( -10.701 2.105 -0.839) 10.939 92.865 ( -3.697 5.740 -8.425) 10.844 93.228 ( 0.636 1.211 3.316) 3.587 95.090 ( -2.554 -1.434 7.051) 7.635 95.764 ( -2.201 0.923 5.010) 5.550 95.995 ( 0.090 -2.451 0.724) 2.557 96.390 ( -1.450 2.774 9.498) 10.000 96.650 ( -0.208 8.694 2.694) 9.104 96.901 ( 1.921 -4.792 0.747) 5.217 97.085 ( -0.875 3.884 -0.535) 4.017 98.772 ( -7.628 10.638 -16.627) 21.162 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -1.288 19.402 6.337) 20.452 2.874 ( 0.985 18.809 1.157) 18.871 3.159 ( -2.292 9.179 4.638) 10.536 3.392 ( -1.905 13.264 -3.382) 13.820 3.421 ( -1.566 10.709 5.500) 12.140 3.669 ( -2.231 -19.530 -10.823) 22.440 4.069 ( -1.136 -6.522 -2.934) 7.241 4.130 ( 2.064 -3.511 2.098) 4.582 4.211 ( 5.519 -10.835 -2.908) 12.503 4.414 ( -0.060 1.520 2.854) 3.234 4.692 ( -2.342 -6.330 5.576) 8.755 4.769 ( 4.506 0.490 9.341) 10.383 4.856 ( 4.034 12.874 6.338) 14.906 4.965 ( 1.094 -7.991 -5.934) 10.013 5.111 ( -3.101 5.958 -1.266) 6.835 5.330 ( 2.591 4.840 -2.484) 6.025 5.417 ( 10.271 2.289 4.841) 11.583 5.649 ( 0.883 10.171 -6.600) 12.157 5.764 ( 3.829 -1.966 0.484) 4.332 5.909 ( -0.637 -2.396 -2.012) 3.193 5.981 ( 2.540 5.016 1.637) 5.856 5.989 ( 3.212 5.025 0.727) 6.008 6.166 ( -11.845 4.000 4.529) 13.297 6.284 ( 2.144 -11.086 9.425) 14.708 6.485 ( 0.587 3.001 -5.621) 6.399 6.638 ( 2.451 -8.860 -3.532) 9.847 6.745 ( 1.808 -9.025 -4.123) 10.086 7.102 ( -0.411 -2.701 0.155) 2.737 7.147 ( 6.507 -6.674 6.851) 11.568 7.319 ( -5.493 2.649 0.596) 6.127 7.552 ( -3.635 -4.542 1.498) 6.008 7.638 ( -5.439 -6.632 0.841) 8.618 7.751 ( -1.819 -11.739 -1.199) 11.939 7.934 ( 1.213 -8.347 -0.383) 8.443 8.527 ( 13.662 6.873 -3.735) 15.743 8.815 ( 1.604 1.884 -2.617) 3.602 8.899 ( -9.367 0.711 -13.259) 16.249 9.092 ( -1.775 -9.188 1.725) 9.515 9.320 ( -4.289 -0.301 5.684) 7.127 9.499 ( -10.536 2.808 -6.173) 12.530 10.224 ( -4.485 7.793 6.799) 11.273 11.051 ( 0.469 8.798 -5.185) 10.223 11.945 ( 1.224 1.556 -0.964) 2.202 12.213 ( -0.527 3.871 -1.511) 4.188 12.610 ( 0.713 4.564 1.575) 4.881 12.818 ( 2.240 0.206 0.209) 2.259 12.905 ( 1.525 0.129 0.587) 1.639 12.963 ( 0.902 9.377 -2.443) 9.732 13.273 ( -2.935 2.382 2.835) 4.725 13.542 ( -1.724 -8.575 -2.018) 8.977 15.636 ( 0.845 0.164 -2.653) 2.789 15.711 ( 3.351 -0.477 -0.419) 3.411 15.775 ( 1.881 0.012 1.431) 2.363 15.866 ( -2.615 -1.615 -2.483) 3.951 16.046 ( -0.623 -3.720 2.964) 4.797 16.147 ( -1.022 -6.653 3.646) 7.655 16.309 ( -0.619 -3.393 1.317) 3.692 16.495 ( -0.462 1.363 0.723) 1.611 16.731 ( 1.461 -1.260 -6.354) 6.640 17.049 ( -0.176 2.340 1.815) 2.967 17.203 ( 2.017 2.081 -6.502) 7.119 17.537 ( -0.066 1.066 -1.649) 1.964 21.732 ( 0.692 -1.769 0.224) 1.913 21.948 ( -5.942 -2.006 4.629) 7.795 22.159 ( 0.339 -1.486 -4.575) 4.822 22.289 ( 1.806 0.922 -1.585) 2.574 22.358 ( -1.556 -0.725 4.700) 5.003 22.375 ( 0.899 -2.997 1.852) 3.635 22.620 ( -0.629 0.529 1.524) 1.731 22.731 ( 0.765 2.058 2.372) 3.232 22.943 ( -0.109 0.565 1.625) 1.724 23.370 ( 2.741 0.846 -2.146) 3.583 23.426 ( 0.154 -0.524 6.503) 6.526 23.477 ( -2.018 -0.427 2.307) 3.094 23.756 ( 0.495 0.185 -2.533) 2.587 23.868 ( -2.457 -4.109 2.444) 5.375 24.551 ( 0.747 0.573 -0.993) 1.369 24.689 ( -0.891 -4.138 2.830) 5.092 24.893 ( -2.408 -4.200 6.192) 7.860 25.967 ( 6.840 4.796 -6.142) 10.369 26.285 ( 3.029 1.708 -14.957) 15.356 26.428 ( 3.154 2.974 -5.558) 7.048 27.104 ( 4.908 3.362 0.479) 5.969 27.392 ( -9.393 -8.708 -0.545) 12.820 27.454 ( 4.961 -3.959 -0.098) 6.348 27.891 ( 1.120 -1.367 -0.884) 1.976 27.926 ( 4.941 1.557 6.425) 8.253 28.248 ( 5.430 -2.412 2.414) 6.413 28.436 ( 3.314 0.527 -1.359) 3.621 28.593 ( 3.999 -5.375 -2.135) 7.031 28.749 ( -10.574 3.305 8.945) 14.239 29.306 ( 0.489 -9.837 -9.009) 13.348 29.411 ( 4.112 -6.338 -14.747) 16.570 29.927 ( 2.965 3.863 -5.577) 7.404 30.019 ( -9.023 3.592 0.891) 9.752 30.146 ( -0.813 2.548 -3.060) 4.064 30.296 ( -3.092 2.296 9.078) 9.861 30.451 ( -7.149 -1.899 7.653) 10.643 31.188 ( 3.571 9.078 4.294) 10.658 31.453 ( -4.056 4.746 3.105) 6.973 31.575 ( 10.898 -1.118 -2.797) 11.307 32.012 ( -12.650 9.513 4.977) 16.592 32.852 ( -3.602 -5.582 4.033) 7.772 33.092 ( 0.305 11.025 -2.117) 11.231 33.584 ( 2.418 -0.551 -5.343) 5.891 34.043 ( -1.213 -5.436 -0.078) 5.571 34.300 ( -2.286 7.750 2.868) 8.574 34.766 ( 3.292 9.095 5.103) 10.936 35.241 ( 5.122 -1.382 -6.412) 8.322 35.496 ( -2.549 -2.309 1.046) 3.595 36.628 ( 1.116 -2.065 3.473) 4.191 37.210 ( -1.208 7.552 0.735) 7.683 37.641 ( 11.095 -2.181 4.352) 12.116 37.744 ( -5.576 -1.232 1.305) 5.858 37.838 ( -9.459 -3.832 0.157) 10.207 38.252 ( 4.208 1.923 -0.903) 4.714 38.347 ( -0.298 -0.338 -1.430) 1.499 38.551 ( -5.132 -3.068 4.816) 7.678 38.889 ( 2.445 4.239 -6.092) 7.815 39.145 ( 1.954 0.731 -1.712) 2.698 39.294 ( -0.486 -4.516 0.234) 4.548 39.506 ( -1.778 -1.928 -2.356) 3.525 49.070 ( -0.747 -1.630 0.935) 2.022 49.257 ( 0.876 -1.126 -1.687) 2.209 49.520 ( -0.564 1.070 1.351) 1.813 49.658 ( 0.902 1.234 -0.688) 1.676 86.572 ( 1.143 0.522 -0.109) 1.261 86.677 ( 0.008 -0.965 0.022) 0.965 87.252 ( 4.617 11.366 0.808) 12.295 88.010 ( 11.458 -25.747 -7.526) 29.169 89.299 ( -0.245 -1.020 -0.457) 1.144 89.394 ( -1.559 -0.712 3.963) 4.318 89.510 ( -1.426 -0.775 1.049) 1.933 89.548 ( -9.809 -7.754 -0.832) 12.531 89.837 ( -1.518 0.891 1.652) 2.414 90.082 ( 2.912 -6.991 11.821) 14.038 91.422 ( 6.406 -3.878 -13.156) 15.138 91.877 ( 0.013 0.276 -21.094) 21.096 92.168 ( -9.626 3.679 -1.960) 10.490 92.267 ( 5.910 0.558 12.462) 13.803 92.786 ( -0.177 4.661 -8.733) 9.900 93.274 ( 1.427 2.755 7.331) 7.961 95.089 ( -1.238 -1.577 7.186) 7.460 95.743 ( -2.291 0.619 4.463) 5.055 95.999 ( -0.035 -2.630 0.652) 2.710 96.384 ( -3.202 1.866 7.000) 7.921 96.672 ( 0.449 9.118 4.319) 10.099 96.910 ( -1.084 -2.969 0.498) 3.199 97.077 ( 0.800 2.359 -2.427) 3.478 98.632 ( 0.407 12.628 -12.046) 17.457 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -14.759 20.747 -1.655) 25.515 2.763 ( -9.358 25.108 1.595) 26.842 3.186 ( 0.543 6.864 4.938) 8.473 3.448 ( 3.196 -7.289 0.598) 7.981 3.459 ( 6.889 9.844 2.522) 12.277 3.604 ( -0.127 -7.468 -10.065) 12.533 3.964 ( -3.260 -7.497 -8.126) 11.527 4.157 ( -1.063 -4.662 3.396) 5.864 4.292 ( -0.306 -4.379 5.142) 6.760 4.477 ( 8.801 -3.879 -3.299) 10.168 4.658 ( -8.107 6.019 14.582) 17.737 4.825 ( -0.930 -1.989 -0.912) 2.377 4.933 ( -3.997 -4.847 -0.321) 6.291 4.937 ( 0.538 7.143 6.606) 9.745 5.026 ( -2.931 2.678 -2.937) 4.938 5.341 ( -1.252 7.487 -0.740) 7.627 5.478 ( -2.376 6.478 1.968) 7.175 5.723 ( 6.084 10.105 2.362) 12.029 5.815 ( 2.069 -2.767 -4.217) 5.452 5.861 ( -11.881 2.056 -0.657) 12.076 5.960 ( 4.260 -6.964 1.535) 8.307 6.032 ( 3.933 12.531 -0.698) 13.152 6.141 ( 2.889 7.663 6.314) 10.341 6.276 ( -4.956 -10.242 8.672) 14.306 6.510 ( 0.037 -2.985 -2.442) 3.857 6.719 ( 1.248 -14.005 -6.054) 15.309 6.723 ( 2.388 -10.342 2.820) 10.982 7.041 ( -3.183 0.397 0.422) 3.235 7.163 ( -8.249 -2.636 -1.681) 8.821 7.279 ( -8.198 -5.078 3.082) 10.124 7.378 ( 1.231 -2.963 -9.944) 10.449 7.583 ( 2.629 -12.182 2.855) 12.786 7.872 ( 8.670 -7.399 5.476) 12.645 8.083 ( 9.411 -1.919 2.964) 10.052 8.615 ( -11.096 1.521 -0.330) 11.204 8.701 ( -4.429 2.219 -10.105) 11.254 8.840 ( 12.662 0.743 -6.044) 14.050 9.187 ( 8.528 -9.238 -2.795) 12.879 9.306 ( 1.195 4.511 2.210) 5.163 9.444 ( 8.638 0.451 -3.434) 9.307 10.218 ( 0.581 8.414 6.102) 10.410 11.017 ( -1.006 9.147 -6.601) 11.325 11.957 ( 0.355 0.635 -0.283) 0.781 12.203 ( 0.517 5.612 -1.888) 5.944 12.615 ( -1.220 3.980 2.029) 4.631 12.782 ( -4.945 -0.314 -1.438) 5.160 12.904 ( -1.800 -0.139 0.275) 1.826 12.997 ( 3.279 11.198 -1.283) 11.739 13.241 ( -1.868 0.709 1.810) 2.696 13.566 ( 4.947 -8.146 -0.951) 9.578 15.630 ( -0.261 0.612 -2.327) 2.420 15.716 ( -3.372 -1.020 -0.015) 3.523 15.814 ( 1.482 -0.287 0.714) 1.670 15.830 ( 0.886 -1.122 -2.093) 2.534 16.035 ( -1.780 -5.369 2.061) 6.020 16.152 ( -0.540 -5.407 3.829) 6.647 16.338 ( 2.619 -1.646 2.312) 3.861 16.474 ( -1.630 -0.290 0.334) 1.689 16.743 ( 2.919 -1.396 -5.563) 6.436 17.083 ( 2.349 2.000 3.240) 4.474 17.185 ( -0.376 2.333 -7.584) 7.944 17.500 ( -2.503 1.162 -3.238) 4.254 21.771 ( 3.433 -1.274 0.585) 3.708 21.850 ( -6.035 -2.452 1.775) 6.752 22.106 ( -2.961 -2.490 -5.232) 6.507 22.306 ( 1.032 0.748 0.640) 1.427 22.374 ( -0.236 -0.916 4.155) 4.261 22.413 ( 1.794 -1.543 2.466) 3.417 22.606 ( -1.368 -0.505 0.607) 1.580 22.790 ( 2.863 4.065 4.703) 6.844 22.936 ( -0.535 -0.341 1.633) 1.752 23.350 ( -2.460 2.122 -5.430) 6.327 23.419 ( -2.580 -0.477 3.321) 4.232 23.484 ( -0.499 -1.598 7.127) 7.321 23.804 ( 4.511 0.566 -0.579) 4.583 23.837 ( -1.624 -3.814 1.362) 4.363 24.590 ( 3.086 1.310 -1.846) 3.827 24.713 ( 1.644 -5.480 7.163) 9.167 24.887 ( -1.313 -3.900 5.905) 7.198 26.009 ( -0.168 1.963 -4.948) 5.326 26.241 ( 0.815 5.680 -16.594) 17.558 26.418 ( -0.976 3.634 -6.396) 7.420 27.171 ( -13.644 -4.025 0.505) 14.235 27.194 ( 5.256 -4.135 -3.527) 7.561 27.483 ( -0.880 -5.545 -2.214) 6.035 27.881 ( -1.953 -0.161 -0.140) 1.965 27.986 ( -2.778 -0.840 6.810) 7.402 28.284 ( -11.505 -3.104 6.830) 13.735 28.442 ( 9.942 3.533 -1.177) 10.617 28.573 ( -6.542 1.958 0.165) 6.831 28.726 ( 0.883 -1.748 4.262) 4.690 29.261 ( 0.209 -15.393 -8.631) 17.649 29.483 ( 11.446 -2.256 -19.516) 22.737 29.870 ( -6.289 1.691 3.280) 7.292 29.978 ( 4.479 7.564 -5.280) 10.254 30.162 ( 4.125 0.904 -2.209) 4.765 30.332 ( 1.948 4.096 9.755) 10.758 30.441 ( 2.472 0.096 6.154) 6.632 31.276 ( 1.219 3.557 5.491) 6.655 31.415 ( -0.312 7.053 6.137) 9.355 31.721 ( -4.952 7.156 1.641) 8.856 31.850 ( 4.352 -1.750 -2.763) 5.444 32.808 ( -2.479 -2.375 2.334) 4.151 33.119 ( 3.286 12.254 -0.901) 12.718 33.592 ( 0.839 -1.409 -4.625) 4.907 34.042 ( 1.069 -5.355 -0.077) 5.461 34.243 ( -4.298 6.289 0.689) 7.648 34.848 ( 1.557 10.229 8.381) 13.316 35.294 ( 3.471 0.655 -6.334) 7.252 35.449 ( -2.743 -4.910 0.899) 5.696 36.618 ( -3.766 -1.838 2.918) 5.106 37.183 ( -1.408 5.275 -1.298) 5.612 37.543 ( -10.160 -4.471 2.855) 11.462 37.791 ( 0.154 -0.941 4.165) 4.272 37.937 ( 14.860 0.834 2.017) 15.019 38.248 ( -3.254 0.607 -3.139) 4.562 38.362 ( 1.295 3.753 0.880) 4.066 38.464 ( -4.277 -5.666 1.188) 7.198 38.923 ( 3.400 3.615 -5.344) 7.293 39.159 ( -0.041 -0.467 -0.194) 0.508 39.317 ( 2.776 -3.464 1.458) 4.672 39.500 ( 2.586 -1.976 -2.943) 4.388 49.067 ( 0.025 -1.623 0.789) 1.805 49.265 ( 0.647 -1.236 -1.415) 1.987 49.516 ( -0.507 0.976 1.202) 1.629 49.662 ( -0.169 1.214 -0.506) 1.326 86.588 ( 0.309 0.880 0.636) 1.129 86.665 ( -1.064 -0.753 -0.579) 1.426 87.265 ( -3.835 10.041 1.587) 10.865 88.025 ( -6.764 -28.702 -8.175) 30.600 89.308 ( 1.409 -1.020 -0.039) 1.739 89.360 ( -7.063 -3.277 -3.513) 8.542 89.382 ( -1.530 -0.645 3.613) 3.976 89.529 ( 1.947 0.088 1.771) 2.634 89.838 ( 0.678 0.520 2.080) 2.249 90.183 ( 1.440 -7.192 11.769) 13.868 91.466 ( 4.647 -3.507 -14.388) 15.522 91.774 ( 0.523 -0.913 -20.790) 20.817 91.973 ( -9.181 2.870 -1.272) 9.703 92.456 ( 6.825 1.188 12.151) 13.987 92.777 ( 3.443 3.769 -8.991) 10.339 93.341 ( 1.855 4.261 7.498) 8.821 95.110 ( -0.503 -1.365 8.413) 8.538 95.724 ( -1.939 0.702 4.298) 4.767 95.999 ( -0.250 -2.474 0.661) 2.573 96.345 ( -3.687 2.626 4.643) 6.485 96.692 ( -0.264 6.487 2.698) 7.031 96.884 ( -1.920 -1.204 1.562) 2.752 97.084 ( 0.897 1.898 -2.020) 2.914 98.683 ( 10.395 12.472 -9.889) 19.011 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -21.784 26.039 -4.303) 34.221 2.644 ( -5.972 30.487 6.995) 31.844 3.195 ( -0.263 2.300 0.989) 2.517 3.413 ( -5.957 -18.638 -8.611) 21.377 3.585 ( 5.621 2.753 0.673) 6.295 3.673 ( 9.540 2.230 0.253) 9.801 3.900 ( -2.252 2.733 -1.582) 3.879 4.131 ( -0.886 -2.346 -3.802) 4.554 4.321 ( -0.677 -2.206 11.265) 11.499 4.545 ( -10.104 3.604 16.498) 19.679 4.621 ( 5.105 1.637 -5.571) 7.732 4.701 ( -8.166 -0.095 -7.052) 10.790 4.798 ( -4.252 3.917 -1.135) 5.892 4.911 ( -5.151 -3.166 2.426) 6.514 5.104 ( 6.518 -3.885 5.001) 9.088 5.261 ( -6.211 1.671 2.618) 6.944 5.461 ( -0.017 7.684 -0.610) 7.708 5.624 ( -11.043 6.041 -4.088) 13.234 5.799 ( 0.581 0.149 0.901) 1.082 5.883 ( 4.756 5.209 3.870) 8.045 6.056 ( 2.753 -5.778 6.150) 8.876 6.099 ( -0.317 6.242 0.787) 6.299 6.148 ( 1.304 1.532 -2.807) 3.453 6.282 ( -0.437 -5.449 10.091) 11.477 6.441 ( -4.997 -9.564 -3.162) 11.244 6.625 ( -7.575 -18.753 2.825) 20.422 6.787 ( 3.971 -0.239 -3.354) 5.203 6.936 ( -9.642 -4.920 -3.605) 11.409 7.022 ( -7.382 -4.822 -1.461) 8.937 7.195 ( 8.977 2.812 -3.912) 10.188 7.468 ( 4.125 -2.560 -1.271) 5.018 7.672 ( 4.539 -9.865 1.771) 11.003 8.026 ( 3.387 -7.618 2.379) 8.670 8.189 ( 1.755 6.380 1.005) 6.693 8.409 ( -8.199 -4.111 -2.237) 9.441 8.555 ( -7.223 3.029 -3.522) 8.588 9.098 ( 16.017 -0.682 -5.343) 16.898 9.369 ( 15.349 1.322 -2.946) 15.685 9.450 ( 10.906 4.323 0.471) 11.741 9.674 ( 14.941 -4.877 -0.716) 15.733 10.291 ( 4.341 7.750 3.943) 9.719 10.957 ( -1.713 8.372 -8.228) 11.862 11.964 ( 0.850 3.969 -0.162) 4.062 12.202 ( -0.662 -0.147 -0.290) 0.737 12.586 ( -2.959 5.960 1.399) 6.800 12.658 ( -6.808 -1.211 -0.884) 6.971 12.867 ( -2.282 -1.501 0.153) 2.736 13.037 ( 1.309 10.069 -0.259) 10.157 13.231 ( 0.447 0.307 0.421) 0.686 13.683 ( 7.263 -5.579 -0.670) 9.183 15.600 ( -2.464 0.471 -1.428) 2.887 15.632 ( -4.318 -1.533 -0.178) 4.586 15.833 ( 1.390 -0.278 -2.903) 3.230 15.856 ( 1.229 -0.987 1.159) 1.957 16.003 ( -2.281 -6.002 1.071) 6.510 16.158 ( -0.933 -4.428 4.190) 6.167 16.391 ( 0.897 1.294 0.508) 1.654 16.483 ( 3.474 -2.617 2.352) 4.944 16.783 ( 3.714 -1.501 -4.518) 6.038 17.121 ( -2.232 2.498 -6.746) 7.532 17.151 ( 2.705 1.679 1.777) 3.646 17.424 ( -3.664 0.969 -3.935) 5.463 21.756 ( -4.657 -2.908 1.505) 5.693 21.858 ( 5.088 0.181 0.229) 5.097 22.039 ( -1.222 -3.800 -2.866) 4.914 22.315 ( -1.750 1.145 3.284) 3.893 22.348 ( -3.655 -0.826 3.784) 5.325 22.484 ( 4.889 -0.342 -0.877) 4.979 22.589 ( -0.552 -2.491 -0.016) 2.552 22.835 ( -0.111 4.991 3.633) 6.174 22.970 ( 2.056 -0.644 4.466) 4.958 23.253 ( -4.892 1.170 -5.110) 7.171 23.396 ( -0.505 -0.870 0.606) 1.174 23.499 ( -1.920 -1.291 8.723) 9.025 23.808 ( -1.156 -2.335 0.940) 2.770 23.898 ( 4.553 1.780 -0.731) 4.943 24.621 ( 1.842 0.532 -3.417) 3.918 24.809 ( 3.027 -5.195 9.991) 11.660 24.898 ( -0.322 -3.537 5.408) 6.470 25.922 ( -5.285 -1.310 -6.665) 8.606 26.163 ( -0.949 5.580 -17.353) 18.253 26.352 ( -2.599 4.113 -5.618) 7.432 26.900 ( -15.241 -0.000 3.820) 15.712 27.287 ( 5.962 -6.662 -4.510) 10.013 27.450 ( -0.469 -6.478 -2.045) 6.809 27.798 ( -8.719 -0.876 2.015) 8.991 27.857 ( -11.076 0.610 4.123) 11.835 28.174 ( -2.044 -3.648 2.704) 4.980 28.373 ( -12.151 2.713 0.035) 12.451 28.628 ( 5.470 1.790 -1.719) 6.006 28.749 ( 1.619 1.647 6.257) 6.669 29.262 ( 3.749 -17.704 -7.432) 19.563 29.566 ( 5.366 -4.674 -17.467) 18.861 29.872 ( 4.800 5.729 3.019) 8.060 30.050 ( 6.015 9.500 -3.287) 11.715 30.230 ( 2.294 0.951 1.900) 3.127 30.470 ( 9.190 7.828 2.626) 12.355 30.561 ( 6.778 2.282 5.120) 8.796 31.254 ( -2.512 0.427 -1.595) 3.006 31.496 ( -7.879 4.219 8.043) 12.024 31.521 ( -3.298 3.769 10.652) 11.770 32.040 ( 12.798 -0.735 -6.760) 14.493 32.787 ( -0.916 0.741 2.027) 2.345 33.203 ( 5.973 13.227 0.181) 14.515 33.574 ( -0.646 -0.334 -3.291) 3.370 34.058 ( 0.712 -4.089 -5.099) 6.575 34.181 ( -2.446 -0.485 4.610) 5.242 34.887 ( -1.698 8.678 8.746) 12.437 35.285 ( -2.987 1.414 -1.784) 3.756 35.425 ( 1.418 -5.931 -4.156) 7.379 36.539 ( -5.609 1.225 3.889) 6.935 37.153 ( -0.623 0.414 -2.395) 2.509 37.405 ( -7.869 -4.638 7.295) 11.689 37.846 ( 3.299 1.124 4.271) 5.512 38.129 ( 1.726 3.171 -4.748) 5.965 38.166 ( -3.004 -0.515 -1.107) 3.243 38.379 ( 4.891 -1.690 2.059) 5.569 38.465 ( 2.496 -0.379 -0.363) 2.551 38.942 ( 1.460 0.740 -6.969) 7.159 39.147 ( -1.135 -2.407 0.601) 2.728 39.419 ( 7.273 -0.218 2.203) 7.602 39.558 ( 4.582 -0.909 -2.851) 5.473 49.078 ( 0.779 -1.413 0.622) 1.730 49.267 ( 0.148 -1.286 -1.016) 1.646 49.514 ( -0.188 0.852 0.870) 1.232 49.647 ( -1.242 1.054 -0.289) 1.654 86.590 ( -0.335 0.944 1.059) 1.458 86.643 ( -0.596 -0.084 -0.966) 1.138 87.139 ( -9.958 6.527 1.736) 12.033 87.698 ( -22.628 -23.673 -8.422) 33.814 89.288 ( 0.080 -0.199 -0.553) 0.593 89.348 ( 2.516 -1.217 0.319) 2.812 89.375 ( -0.755 -0.602 2.519) 2.698 89.583 ( 2.426 1.045 2.097) 3.373 89.879 ( 2.424 -0.499 2.835) 3.763 90.230 ( -1.969 -6.299 9.922) 11.916 91.440 ( 1.833 -2.869 -21.285) 21.555 91.729 ( 1.691 0.992 -10.871) 11.046 91.849 ( -2.797 -1.121 -0.292) 3.027 92.610 ( 4.076 0.416 9.765) 10.590 92.821 ( 5.546 3.007 -8.664) 10.718 93.397 ( 0.932 5.228 3.927) 6.605 95.144 ( -0.653 -0.908 10.060) 10.122 95.715 ( -1.249 1.102 4.896) 5.172 95.996 ( -0.417 -2.141 0.691) 2.288 96.303 ( -2.717 3.868 3.404) 5.825 96.695 ( 0.312 3.735 0.155) 3.751 96.851 ( -3.157 -1.262 3.054) 4.571 97.090 ( 0.391 2.962 -0.328) 3.005 98.894 ( 16.641 9.768 -11.444) 22.434 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -13.618 31.025 0.711) 33.890 2.598 ( -3.909 31.596 10.927) 33.660 3.215 ( 2.963 -6.622 -1.760) 7.465 3.277 ( -2.498 -1.359 -6.900) 7.463 3.604 ( -4.249 9.859 1.773) 10.881 3.848 ( -3.680 8.167 1.510) 9.084 3.875 ( 10.143 -7.860 3.629) 13.335 4.111 ( 0.870 -4.383 -4.838) 6.586 4.325 ( -3.244 3.172 6.970) 8.317 4.438 ( -7.339 -1.123 4.154) 8.508 4.523 ( -3.355 -3.564 -1.156) 5.029 4.647 ( -4.317 -1.236 -0.349) 4.504 4.800 ( 4.890 -3.250 -3.237) 6.705 4.846 ( -4.349 4.033 8.932) 10.722 5.122 ( -4.128 2.412 -4.822) 6.791 5.269 ( 2.957 1.227 -0.066) 3.202 5.418 ( -2.764 1.012 0.205) 2.951 5.492 ( -0.531 7.618 1.726) 7.829 5.798 ( -0.645 0.218 -1.829) 1.951 5.908 ( -8.913 -10.574 -0.872) 13.856 5.999 ( -0.816 -2.117 4.211) 4.783 6.148 ( 1.797 8.044 -4.987) 9.633 6.162 ( -0.653 -8.500 2.920) 9.012 6.359 ( 1.377 -0.600 2.357) 2.796 6.381 ( 2.879 -6.844 7.493) 10.549 6.493 ( -7.584 -18.052 5.775) 20.414 6.764 ( -6.028 -3.001 -5.371) 8.614 6.863 ( 4.470 2.100 -2.456) 5.515 6.922 ( -1.918 -1.951 -3.290) 4.279 7.379 ( 10.363 -2.999 -0.469) 10.798 7.489 ( 0.109 -0.640 -4.183) 4.233 7.745 ( 1.833 -5.169 2.986) 6.245 7.983 ( -4.095 -2.432 -4.580) 6.607 8.241 ( 1.870 3.985 2.200) 4.921 8.289 ( -5.885 -4.872 1.533) 7.793 8.428 ( -4.076 4.679 -1.888) 6.486 9.335 ( 11.272 -3.348 -4.665) 12.650 9.628 ( 7.970 0.867 -2.238) 8.323 9.688 ( 15.861 6.467 1.584) 17.202 9.915 ( 10.580 0.440 -1.122) 10.648 10.388 ( 3.965 6.245 1.709) 7.592 10.894 ( 0.061 5.636 -9.120) 10.722 11.995 ( 2.329 4.261 0.344) 4.868 12.165 ( -3.474 -3.568 0.995) 5.078 12.487 ( -6.490 1.349 0.650) 6.661 12.594 ( -0.986 2.727 0.723) 2.988 12.828 ( -1.865 -2.203 0.624) 2.953 13.045 ( -0.026 7.757 -1.012) 7.823 13.260 ( 2.057 1.885 1.269) 3.065 13.794 ( 4.691 -3.969 -1.641) 6.360 15.531 ( -3.323 -1.097 -0.387) 3.521 15.578 ( -1.882 -0.534 -0.697) 2.076 15.844 ( 1.099 0.004 -2.033) 2.311 15.871 ( 0.233 -0.998 -0.637) 1.207 15.973 ( -1.256 -5.313 0.990) 5.548 16.159 ( -1.022 -4.355 4.674) 6.470 16.398 ( 0.258 0.268 1.474) 1.520 16.580 ( 4.446 -0.831 -0.279) 4.532 16.826 ( 2.614 -1.492 -3.479) 4.601 17.043 ( -1.619 2.529 -7.778) 8.337 17.199 ( 1.163 1.464 1.606) 2.465 17.351 ( -1.852 0.504 -2.416) 3.085 21.700 ( -2.237 -3.184 1.830) 4.300 21.920 ( 1.542 1.288 0.748) 2.144 22.068 ( 3.959 -5.080 0.483) 6.459 22.277 ( -1.900 0.451 3.377) 3.901 22.319 ( -2.017 1.044 2.469) 3.355 22.504 ( -2.946 -0.927 0.714) 3.170 22.628 ( 5.173 -2.477 -2.431) 6.229 22.841 ( -0.947 4.516 3.581) 5.841 23.003 ( -1.022 -0.476 3.051) 3.252 23.140 ( -4.112 -0.232 -5.573) 6.930 23.412 ( 1.284 -0.689 2.314) 2.734 23.493 ( -2.871 -1.521 7.516) 8.188 23.810 ( 0.710 -1.474 2.090) 2.654 23.953 ( 2.009 3.354 -1.924) 4.357 24.635 ( 1.351 0.085 -3.090) 3.374 24.860 ( -1.533 -3.996 5.896) 7.285 24.932 ( 0.339 -3.599 6.619) 7.542 25.797 ( -3.659 -3.445 -8.416) 9.802 26.061 ( -0.598 3.883 -16.719) 17.174 26.285 ( -2.205 4.213 -2.976) 5.610 26.694 ( -8.838 2.463 7.139) 11.625 27.352 ( 2.685 -3.230 -3.063) 5.198 27.468 ( 2.757 -7.499 0.849) 8.035 27.594 ( -10.858 -0.031 0.621) 10.876 27.729 ( -4.439 -2.345 -0.010) 5.021 28.155 ( -7.430 -0.457 1.105) 7.526 28.191 ( -1.731 -2.035 1.589) 3.109 28.627 ( -0.295 7.151 -6.383) 9.590 28.864 ( 4.000 1.187 9.720) 10.578 29.309 ( 4.010 -19.008 -4.679) 19.982 29.545 ( 1.092 -6.087 -13.027) 14.420 29.988 ( 4.832 7.564 1.276) 9.066 30.153 ( 3.949 6.799 -0.894) 7.913 30.270 ( 3.534 7.066 -1.765) 8.095 30.650 ( 8.370 10.428 -0.049) 13.372 30.700 ( 5.466 3.979 2.661) 7.265 31.209 ( -0.855 -1.621 -2.717) 3.277 31.285 ( -10.657 -1.065 2.356) 10.966 31.604 ( -1.910 1.385 18.683) 18.832 32.211 ( 8.799 2.242 -6.681) 11.273 32.790 ( 0.074 2.413 2.311) 3.342 33.326 ( 6.387 12.460 0.716) 14.020 33.540 ( -1.723 3.323 -1.810) 4.158 34.017 ( -0.667 -6.331 -7.240) 9.640 34.206 ( 1.218 -6.015 6.434) 8.892 34.875 ( -3.433 4.965 7.056) 9.285 35.182 ( -6.786 0.602 0.212) 6.816 35.451 ( 3.782 -3.110 -7.032) 8.569 36.474 ( -3.662 3.409 5.918) 7.750 37.148 ( 0.941 -1.249 -1.155) 1.944 37.309 ( -6.420 -5.210 8.223) 11.661 37.937 ( 4.008 2.223 4.220) 6.230 38.045 ( -4.295 2.280 -5.551) 7.380 38.118 ( -1.925 -2.391 0.722) 3.153 38.482 ( 2.927 3.596 -4.823) 6.690 38.552 ( 6.108 -5.039 3.913) 8.832 38.919 ( 0.554 -1.276 -8.854) 8.962 39.129 ( -1.082 -3.008 0.389) 3.221 39.568 ( 6.546 1.192 -0.332) 6.662 39.625 ( 3.883 -0.162 -2.345) 4.540 49.098 ( 1.007 -1.170 0.496) 1.622 49.261 ( -0.273 -1.181 -0.791) 1.447 49.517 ( 0.108 0.694 0.632) 0.945 49.618 ( -1.573 1.037 -0.160) 1.891 86.585 ( -1.022 0.332 1.388) 1.755 86.662 ( 4.170 1.069 -1.437) 4.538 86.957 ( -9.335 2.909 1.454) 9.885 87.227 ( -21.815 -11.436 -5.642) 25.269 89.334 ( 3.396 -0.438 4.268) 5.472 89.375 ( 0.053 -0.501 1.324) 1.416 89.392 ( 1.557 -1.471 0.610) 2.227 89.624 ( 0.878 1.722 2.019) 2.795 89.942 ( 2.693 -1.430 2.656) 4.044 90.205 ( -5.216 -5.639 8.475) 11.438 91.370 ( 2.590 -3.290 -23.325) 23.698 91.706 ( -0.201 4.837 -1.392) 5.038 91.873 ( 4.442 -5.519 -2.133) 7.399 92.686 ( 0.058 0.076 6.301) 6.302 92.893 ( 5.828 2.009 -6.616) 9.043 93.398 ( -1.622 5.429 -1.770) 5.936 95.167 ( -2.229 -0.632 10.248) 10.507 95.727 ( -0.301 1.554 6.582) 6.770 95.991 ( -0.414 -1.854 0.675) 2.016 96.285 ( -0.832 5.514 3.697) 6.691 96.714 ( 1.268 1.685 1.936) 2.863 96.794 ( -3.817 -1.660 0.764) 4.232 97.097 ( 0.115 3.802 1.401) 4.053 99.125 ( 13.570 4.995 -16.070) 21.618 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 4.575 0.000 7.077) 8.427 2.972 ( 6.204 -0.000 4.650) 7.753 3.054 ( -0.986 0.000 11.494) 11.536 3.379 ( 6.471 0.000 -4.585) 7.931 3.637 ( -1.807 -0.000 0.620) 1.911 3.722 ( -3.609 0.000 -1.259) 3.822 4.011 ( 3.463 0.000 -7.449) 8.215 4.087 ( 1.181 -0.000 -1.398) 1.830 4.332 ( -4.599 0.000 -5.543) 7.202 4.347 ( -0.368 0.000 0.936) 1.005 4.491 ( -1.617 -0.000 9.387) 9.525 4.532 ( 1.898 0.000 4.402) 4.793 4.861 ( -7.324 0.000 5.966) 9.446 4.880 ( 1.945 0.000 -1.772) 2.631 5.029 ( -3.100 0.000 -7.616) 8.223 5.377 ( 2.721 0.000 -15.390) 15.628 5.434 ( -11.529 0.000 12.272) 16.838 5.482 ( -0.245 -0.000 -6.253) 6.258 5.552 ( 1.471 0.000 -3.243) 3.561 5.751 ( -0.143 0.000 -1.564) 1.571 5.907 ( -3.801 0.000 11.294) 11.916 6.074 ( -1.232 0.000 -1.920) 2.282 6.236 ( 2.073 0.000 -3.529) 4.093 6.253 ( -0.271 -0.000 -1.869) 1.889 6.276 ( -1.182 0.000 16.051) 16.095 6.579 ( 3.564 0.000 6.163) 7.119 6.700 ( 4.442 0.000 -2.338) 5.020 6.798 ( -1.819 0.000 -6.140) 6.404 7.068 ( 3.987 0.000 -0.596) 4.031 7.342 ( 2.178 -0.000 0.110) 2.181 7.502 ( 0.541 0.000 -3.002) 3.050 7.739 ( -3.273 0.000 7.269) 7.972 7.946 ( 3.035 0.000 -0.878) 3.160 8.120 ( -5.703 0.000 0.173) 5.706 8.271 ( -1.771 0.000 -5.669) 5.939 8.492 ( 3.635 0.000 1.403) 3.896 9.374 ( 0.582 0.000 -1.719) 1.815 9.676 ( -0.465 0.000 -4.779) 4.801 9.894 ( -3.970 0.000 0.172) 3.974 10.129 ( 4.452 0.000 -2.958) 5.346 10.473 ( -0.432 0.000 0.902) 1.000 10.934 ( 4.522 0.000 -5.354) 7.009 12.015 ( -1.033 0.000 0.912) 1.378 12.114 ( -0.903 0.000 -1.210) 1.510 12.433 ( 1.205 0.000 3.954) 4.134 12.617 ( -0.032 0.000 0.723) 0.723 12.791 ( 0.043 0.000 0.906) 0.907 13.102 ( -1.167 0.000 -3.381) 3.577 13.339 ( 2.203 0.000 3.328) 3.992 13.780 ( -0.951 0.000 -2.514) 2.688 15.485 ( 0.063 0.000 -0.214) 0.223 15.551 ( 0.215 0.000 -0.768) 0.798 15.828 ( -2.018 0.000 -1.856) 2.742 15.875 ( 2.020 0.000 -1.954) 2.811 15.924 ( 0.551 0.000 2.433) 2.494 16.113 ( -1.621 0.000 6.040) 6.253 16.424 ( 1.180 0.000 2.400) 2.675 16.583 ( -3.060 0.000 -4.566) 5.497 16.819 ( 0.025 0.000 -4.625) 4.625 17.050 ( 3.759 0.000 -6.600) 7.596 17.216 ( -1.558 0.000 0.796) 1.750 17.359 ( 3.008 0.000 0.060) 3.008 21.659 ( 0.037 0.000 2.677) 2.677 21.974 ( 2.316 0.000 1.869) 2.976 22.068 ( 1.699 0.000 2.622) 3.124 22.277 ( -3.557 0.000 2.062) 4.111 22.312 ( -1.549 0.000 0.695) 1.697 22.455 ( 2.552 0.000 3.449) 4.290 22.662 ( 0.103 0.000 -3.695) 3.696 22.886 ( -1.202 0.000 2.265) 2.564 22.943 ( -4.495 0.000 0.382) 4.511 23.065 ( 1.213 0.000 -4.813) 4.963 23.431 ( -4.479 0.000 5.505) 7.097 23.465 ( 2.459 0.000 2.779) 3.710 23.834 ( 1.074 0.000 4.811) 4.929 23.991 ( -0.835 0.000 -3.599) 3.695 24.649 ( 1.082 0.000 -2.058) 2.325 24.792 ( -3.782 0.000 2.127) 4.339 24.912 ( -1.728 0.000 6.112) 6.352 25.703 ( 2.650 0.000 -8.174) 8.593 26.028 ( 3.294 0.000 -18.454) 18.746 26.303 ( 0.765 0.000 -0.665) 1.014 26.721 ( 2.760 0.000 8.430) 8.871 27.373 ( 2.878 0.000 1.744) 3.365 27.383 ( -6.038 0.000 1.772) 6.292 27.519 ( 3.488 0.000 2.085) 4.064 27.686 ( 2.793 0.000 0.078) 2.794 27.992 ( -4.144 0.000 -5.926) 7.231 28.172 ( -0.282 0.000 1.029) 1.067 28.739 ( -3.827 0.000 -1.893) 4.270 29.002 ( 6.048 0.000 -10.866) 12.436 29.093 ( 0.766 0.000 18.834) 18.850 29.425 ( 0.501 0.000 -14.121) 14.130 30.103 ( -0.707 0.000 1.628) 1.774 30.201 ( -2.619 0.000 0.413) 2.651 30.466 ( 4.943 0.000 -8.582) 9.903 30.805 ( -0.804 0.000 -2.808) 2.921 30.854 ( -0.587 0.000 -4.692) 4.729 31.106 ( -4.669 0.000 12.352) 13.205 31.172 ( 2.386 0.000 -4.334) 4.948 31.630 ( -5.142 0.000 18.156) 18.870 32.359 ( 5.104 0.000 -1.939) 5.460 32.826 ( -0.978 0.000 1.926) 2.160 33.507 ( 0.850 0.000 -1.604) 1.815 33.576 ( -2.330 0.000 -1.907) 3.011 33.889 ( 2.986 0.000 -6.051) 6.748 34.191 ( 0.821 0.000 8.608) 8.647 34.845 ( -5.697 0.000 4.201) 7.078 35.115 ( -1.348 0.000 -1.554) 2.058 35.461 ( 3.585 0.000 -5.689) 6.724 36.507 ( -1.172 0.000 7.168) 7.264 37.165 ( 2.026 0.000 4.182) 4.647 37.193 ( -3.147 0.000 6.492) 7.215 37.981 ( -3.248 -0.000 -2.626) 4.177 38.033 ( -0.318 0.000 0.652) 0.725 38.093 ( 5.115 0.000 2.933) 5.896 38.471 ( -3.562 0.000 -3.872) 5.262 38.629 ( 3.489 0.000 1.398) 3.759 38.856 ( 0.613 0.000 -8.518) 8.540 39.095 ( 0.542 0.000 -1.242) 1.355 39.621 ( -2.136 0.000 -3.192) 3.841 39.655 ( 0.786 -0.000 -1.923) 2.078 49.101 ( 0.045 0.000 0.492) 0.494 49.242 ( -0.069 0.000 -1.136) 1.139 49.529 ( 0.097 0.000 0.751) 0.757 49.610 ( -0.181 0.000 -0.264) 0.320 86.568 ( -1.439 0.000 1.068) 1.792 86.804 ( 1.706 0.000 -1.461) 2.246 86.833 ( 0.088 0.000 0.208) 0.226 86.931 ( 1.206 0.000 -0.792) 1.442 89.379 ( -0.177 0.000 3.192) 3.197 89.386 ( -0.599 0.000 -0.517) 0.791 89.426 ( 4.307 0.000 5.931) 7.330 89.654 ( -1.016 0.000 0.759) 1.268 89.943 ( -0.027 0.000 1.490) 1.490 90.090 ( -6.475 0.000 7.899) 10.214 91.292 ( 4.187 0.000 -21.378) 21.784 91.797 ( 1.736 0.000 6.461) 6.690 91.882 ( 6.125 0.000 -6.175) 8.697 92.675 ( -3.661 0.000 2.481) 4.423 92.976 ( 4.034 0.000 -3.443) 5.303 93.374 ( -4.071 0.000 -8.555) 9.474 95.147 ( -4.374 0.000 9.904) 10.827 95.775 ( -0.398 0.000 7.311) 7.322 95.969 ( -0.149 0.000 0.135) 0.202 96.380 ( 0.035 0.000 8.317) 8.317 96.716 ( 3.436 0.000 -10.606) 11.149 96.757 ( -3.663 0.000 12.057) 12.601 97.147 ( -0.140 0.000 1.769) 1.774 99.213 ( 1.637 0.000 -18.159) 18.233 ======================= Grid point 93 (50/125) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 17.583 0.000 8.630) 19.586 3.109 ( 2.051 -0.000 9.506) 9.725 3.119 ( 5.106 0.000 6.046) 7.914 3.419 ( -3.137 0.000 1.260) 3.381 3.628 ( -4.952 -0.000 -0.783) 5.014 3.652 ( 3.599 0.000 -0.797) 3.686 4.037 ( 0.754 0.000 -4.499) 4.562 4.059 ( 2.483 0.000 -7.945) 8.324 4.312 ( -6.067 0.000 5.297) 8.054 4.369 ( 7.621 0.000 1.195) 7.714 4.543 ( 0.657 -0.000 5.123) 5.165 4.543 ( -2.124 0.000 -6.145) 6.502 4.783 ( 1.392 0.000 7.753) 7.877 4.876 ( 1.584 0.000 -7.329) 7.498 5.014 ( 3.716 0.000 -5.059) 6.277 5.203 ( -7.165 0.000 7.744) 10.551 5.373 ( -3.095 0.000 -12.479) 12.857 5.515 ( 6.890 0.000 -2.998) 7.514 5.674 ( 7.910 0.000 -0.110) 7.911 5.746 ( 0.089 0.000 -0.451) 0.459 5.901 ( -1.778 0.000 9.556) 9.720 6.006 ( -4.184 0.000 -2.549) 4.899 6.248 ( 0.353 -0.000 -1.940) 1.972 6.266 ( 2.907 0.000 -3.308) 4.404 6.353 ( 2.695 0.000 10.035) 10.391 6.666 ( 3.493 0.000 7.476) 8.252 6.737 ( -0.987 0.000 -8.561) 8.617 6.811 ( 6.653 0.000 -2.309) 7.043 7.108 ( -2.222 0.000 5.721) 6.137 7.381 ( 1.219 -0.000 4.255) 4.426 7.468 ( -1.567 0.000 -2.072) 2.598 7.661 ( -8.224 0.000 6.599) 10.544 8.002 ( -1.530 0.000 3.422) 3.749 8.034 ( -2.166 0.000 -7.106) 7.428 8.236 ( 5.193 0.000 -10.010) 11.277 8.600 ( 6.232 0.000 3.481) 7.138 9.307 ( -6.831 0.000 -1.119) 6.922 9.515 ( -12.907 0.000 -10.531) 16.658 9.720 ( -13.006 0.000 2.660) 13.275 10.026 ( -12.482 0.000 -0.304) 12.486 10.449 ( -3.394 0.000 1.797) 3.840 11.033 ( 6.999 0.000 -3.941) 8.032 12.057 ( -3.527 -0.000 -1.099) 3.694 12.065 ( 5.602 0.000 -0.512) 5.626 12.542 ( 7.157 0.000 4.283) 8.341 12.638 ( 1.560 0.000 0.799) 1.753 12.814 ( 1.791 0.000 1.037) 2.069 13.060 ( -1.033 0.000 -4.361) 4.482 13.382 ( 0.114 0.000 4.793) 4.794 13.695 ( -6.390 0.000 -3.611) 7.340 15.522 ( 3.902 0.000 -0.194) 3.907 15.576 ( 2.606 0.000 -0.809) 2.729 15.777 ( -1.982 0.000 -2.410) 3.120 15.899 ( 1.175 0.000 -1.238) 1.707 15.957 ( 1.341 0.000 3.436) 3.688 16.105 ( -2.230 0.000 5.490) 5.925 16.456 ( -7.070 0.000 -4.165) 8.205 16.463 ( 1.646 0.000 2.865) 3.304 16.778 ( -0.913 0.000 -7.071) 7.130 17.118 ( 5.635 0.000 -5.215) 7.678 17.169 ( -3.427 0.000 -0.128) 3.429 17.444 ( 4.987 0.000 0.907) 5.068 21.684 ( 0.970 0.000 2.717) 2.885 22.046 ( 4.061 0.000 2.445) 4.740 22.085 ( -3.350 0.000 5.351) 6.313 22.211 ( -0.666 0.000 0.288) 0.726 22.288 ( -0.923 0.000 -0.221) 0.949 22.561 ( 4.187 0.000 4.759) 6.338 22.578 ( -6.076 0.000 -3.931) 7.237 22.851 ( -4.659 0.000 -2.038) 5.085 22.880 ( 0.076 -0.000 1.503) 1.505 23.137 ( 6.919 0.000 -0.998) 6.991 23.381 ( -2.756 0.000 3.676) 4.595 23.508 ( 0.833 0.000 2.219) 2.370 23.865 ( -0.606 0.000 5.427) 5.460 23.928 ( -3.711 0.000 -4.703) 5.991 24.656 ( 0.616 0.000 -1.595) 1.710 24.704 ( -6.005 0.000 0.262) 6.010 24.899 ( -2.668 0.000 5.913) 6.487 25.771 ( 7.884 0.000 -6.899) 10.476 26.067 ( 10.010 0.000 -18.333) 20.888 26.343 ( 3.646 0.000 -0.958) 3.770 26.888 ( 9.993 0.000 9.097) 13.513 27.314 ( -1.008 0.000 -0.392) 1.082 27.401 ( -2.166 0.000 4.385) 4.890 27.646 ( 7.369 0.000 6.162) 9.606 27.772 ( 4.664 0.000 -0.526) 4.693 27.979 ( 8.748 0.000 -8.959) 12.522 28.158 ( -1.546 0.000 0.457) 1.613 28.634 ( -5.877 0.000 -3.016) 6.605 29.085 ( 7.351 0.000 -8.264) 11.060 29.140 ( -6.168 0.000 19.503) 20.455 29.373 ( 1.539 0.000 -15.689) 15.764 30.060 ( -3.914 0.000 -0.335) 3.929 30.152 ( -1.831 0.000 -0.757) 1.982 30.437 ( -3.819 0.000 -7.198) 8.148 30.690 ( -8.865 0.000 -3.552) 9.550 30.722 ( -11.415 0.000 5.448) 12.649 31.189 ( 7.472 -0.000 0.998) 7.538 31.209 ( 2.441 0.000 -1.873) 3.076 31.607 ( -5.555 0.000 14.904) 15.906 32.404 ( -0.789 0.000 3.335) 3.427 32.809 ( -1.933 0.000 2.596) 3.237 33.430 ( -9.221 0.000 -4.240) 10.150 33.526 ( 1.993 0.000 -2.273) 3.023 33.970 ( 5.429 0.000 -4.375) 6.972 34.255 ( 1.797 0.000 10.406) 10.560 34.787 ( -1.579 0.000 0.553) 1.673 35.108 ( 1.756 0.000 -3.280) 3.721 35.493 ( 2.028 0.000 -3.130) 3.730 36.533 ( 0.214 0.000 7.109) 7.113 37.210 ( 1.950 0.000 4.107) 4.547 37.237 ( 3.230 0.000 6.828) 7.554 37.908 ( -4.117 0.000 -0.264) 4.126 38.068 ( 3.515 0.000 0.454) 3.544 38.197 ( 4.961 0.000 1.920) 5.320 38.333 ( -9.072 0.000 -6.436) 11.122 38.666 ( -0.725 0.000 3.570) 3.643 38.847 ( 2.767 0.000 -8.306) 8.754 39.106 ( 1.565 0.000 -2.223) 2.719 39.491 ( -8.970 0.000 -3.522) 9.637 39.631 ( -2.390 0.000 -1.621) 2.888 49.092 ( -1.211 0.000 0.736) 1.417 49.238 ( 0.305 0.000 -1.472) 1.503 49.533 ( -0.105 0.000 1.045) 1.050 49.621 ( 1.400 0.000 -0.543) 1.501 86.551 ( -0.409 0.000 -0.044) 0.412 86.697 ( -3.816 0.000 0.404) 3.837 87.073 ( 15.965 0.000 -0.999) 15.996 87.076 ( 13.581 -0.000 -0.840) 13.607 89.354 ( -2.176 0.000 -0.992) 2.392 89.388 ( -0.399 0.000 3.065) 3.091 89.535 ( 3.022 0.000 9.992) 10.439 89.619 ( -2.902 0.000 0.144) 2.906 89.913 ( -3.837 0.000 0.952) 3.954 90.015 ( -4.694 0.000 5.467) 7.206 91.292 ( 5.755 0.000 -18.308) 19.191 91.900 ( 5.243 0.000 9.442) 10.800 91.947 ( 4.623 -0.000 -9.362) 10.441 92.578 ( -7.316 0.000 -0.032) 7.316 93.003 ( -0.456 0.000 -3.129) 3.162 93.259 ( -2.721 0.000 -7.641) 8.111 95.107 ( -4.328 0.000 8.679) 9.699 95.788 ( -1.692 0.000 6.268) 6.492 95.968 ( -0.033 0.000 0.117) 0.122 96.410 ( -1.560 0.000 10.074) 10.194 96.740 ( 4.117 -0.000 -9.408) 10.270 96.773 ( -0.927 0.000 12.108) 12.143 97.145 ( -0.927 0.000 1.102) 1.440 99.077 ( -5.961 0.000 -18.832) 19.753 ======================= Grid point 95 (51/125) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 14.793 0.000 6.102) 16.002 3.181 ( -0.879 -0.000 2.828) 2.962 3.230 ( 8.168 0.000 0.315) 8.175 3.291 ( -8.483 0.000 -0.191) 8.485 3.547 ( -4.948 0.000 5.251) 7.214 3.751 ( 6.915 0.000 1.380) 7.051 3.946 ( -9.572 0.000 1.485) 9.686 4.083 ( 2.425 0.000 -14.918) 15.114 4.192 ( -7.024 0.000 2.854) 7.582 4.443 ( -5.317 0.000 5.248) 7.471 4.525 ( 3.505 0.000 -2.555) 4.337 4.611 ( 9.421 0.000 1.115) 9.487 4.882 ( 2.874 0.000 1.029) 3.053 4.983 ( 8.548 0.000 3.806) 9.357 5.135 ( 12.704 0.000 -3.986) 13.315 5.208 ( 4.417 0.000 10.241) 11.153 5.285 ( -0.713 0.000 -9.462) 9.489 5.632 ( 7.309 0.000 -4.138) 8.399 5.751 ( 0.875 0.000 -1.341) 1.601 5.803 ( 4.104 0.000 4.308) 5.950 5.930 ( -2.250 -0.000 -0.258) 2.265 5.931 ( 2.189 0.000 3.897) 4.470 6.243 ( -0.065 0.000 -1.248) 1.249 6.307 ( 2.026 0.000 -0.648) 2.127 6.453 ( 3.792 0.000 4.434) 5.835 6.663 ( -3.546 0.000 -10.881) 11.444 6.727 ( -1.075 0.000 0.566) 1.215 6.934 ( 8.161 0.000 1.779) 8.353 7.018 ( -8.226 -0.000 8.317) 11.697 7.441 ( 2.556 0.000 8.407) 8.787 7.502 ( 6.339 0.000 -1.548) 6.525 7.511 ( -10.780 -0.000 5.735) 12.211 7.866 ( -12.723 0.000 0.649) 12.740 7.938 ( -4.832 0.000 -9.945) 11.057 8.397 ( 14.476 0.000 -8.014) 16.546 8.731 ( 5.887 0.000 3.064) 6.636 9.134 ( -10.820 0.000 -0.302) 10.825 9.189 ( -13.923 -0.000 -13.325) 19.272 9.484 ( -14.045 0.000 5.476) 15.074 9.761 ( -14.206 0.000 -1.388) 14.274 10.370 ( -5.929 0.000 4.352) 7.354 11.117 ( 3.922 0.000 -4.292) 5.814 11.995 ( -2.669 0.000 -0.643) 2.745 12.176 ( 6.327 0.000 -2.249) 6.715 12.662 ( 0.157 0.000 1.107) 1.118 12.704 ( 7.772 0.000 3.591) 8.562 12.858 ( 2.319 0.000 0.835) 2.465 13.043 ( 1.825 0.000 -4.679) 5.023 13.380 ( -2.795 0.000 4.851) 5.599 13.536 ( -8.220 0.000 -3.652) 8.994 15.614 ( 5.787 -0.000 -0.381) 5.799 15.621 ( 2.360 0.000 -1.588) 2.845 15.750 ( 0.333 0.000 -0.928) 0.986 15.896 ( -0.949 0.000 -1.655) 1.908 15.996 ( 0.784 0.000 3.915) 3.993 16.084 ( -2.449 0.000 4.965) 5.537 16.326 ( -5.000 0.000 -1.443) 5.204 16.504 ( 1.211 0.000 2.108) 2.431 16.734 ( -0.053 0.000 -7.417) 7.418 17.104 ( -3.122 0.000 0.062) 3.122 17.188 ( 4.545 0.000 -5.834) 7.395 17.523 ( 3.045 0.000 -0.105) 3.047 21.707 ( 0.279 0.000 1.266) 1.296 22.011 ( -6.063 0.000 6.630) 8.984 22.123 ( 3.235 0.000 -1.037) 3.398 22.256 ( 3.466 0.000 0.342) 3.483 22.291 ( 1.224 0.000 2.068) 2.403 22.440 ( -6.451 0.000 -3.078) 7.148 22.617 ( 0.205 0.000 3.584) 3.590 22.770 ( -2.721 0.000 -1.488) 3.101 22.913 ( 2.132 0.000 2.282) 3.124 23.271 ( 6.951 0.000 0.848) 7.003 23.377 ( 0.412 0.000 4.304) 4.323 23.514 ( -1.169 0.000 1.350) 1.785 23.826 ( -4.301 0.000 -4.617) 6.310 23.857 ( -2.570 0.000 4.351) 5.054 24.600 ( -4.822 0.000 0.688) 4.871 24.655 ( 0.122 -0.000 -1.676) 1.680 24.873 ( -3.050 0.000 6.106) 6.825 25.902 ( 8.909 0.000 -6.010) 10.746 26.195 ( 12.396 0.000 -19.772) 23.337 26.411 ( 4.048 0.000 -1.929) 4.484 27.124 ( 9.871 0.000 7.821) 12.594 27.324 ( -7.018 0.000 1.021) 7.092 27.338 ( 3.201 0.000 0.192) 3.207 27.825 ( 7.573 0.000 7.656) 10.769 27.836 ( 3.796 0.000 -2.134) 4.355 28.137 ( -0.038 0.000 1.365) 1.366 28.227 ( 19.356 0.000 -5.676) 20.171 28.516 ( -4.825 0.000 -3.002) 5.683 29.030 ( -14.735 -0.000 17.091) 22.566 29.169 ( 4.667 0.000 -7.018) 8.429 29.345 ( 4.070 0.000 -17.667) 18.130 29.980 ( -2.843 0.000 -3.588) 4.578 30.147 ( 1.161 0.000 0.684) 1.348 30.279 ( -10.144 0.000 -3.657) 10.783 30.492 ( -9.738 0.000 -2.686) 10.102 30.532 ( -12.756 0.000 11.564) 17.218 31.239 ( 1.234 0.000 1.415) 1.878 31.349 ( 11.212 0.000 -6.267) 12.845 31.564 ( -5.316 0.000 9.727) 11.085 32.343 ( -9.148 0.000 7.838) 12.047 32.786 ( -2.051 0.000 3.770) 4.292 33.268 ( -4.914 0.000 -5.123) 7.099 33.551 ( 1.990 0.000 -3.535) 4.057 34.001 ( -0.294 0.000 -0.696) 0.755 34.350 ( 3.067 0.000 6.718) 7.385 34.797 ( 2.635 0.000 0.116) 2.638 35.144 ( 4.142 0.000 -5.096) 6.567 35.500 ( -0.545 0.000 -0.196) 0.579 36.574 ( 0.778 0.000 5.844) 5.896 37.267 ( 1.597 0.000 3.527) 3.872 37.377 ( 9.075 0.000 6.691) 11.275 37.830 ( -4.441 0.000 1.558) 4.706 38.057 ( -12.809 0.000 -7.637) 14.913 38.181 ( 4.201 0.000 0.671) 4.254 38.282 ( 3.330 0.000 0.135) 3.333 38.634 ( -5.028 0.000 5.053) 7.128 38.880 ( 4.590 0.000 -7.290) 8.614 39.129 ( 2.107 0.000 -2.714) 3.436 39.320 ( -7.017 0.000 -1.624) 7.202 39.560 ( -4.104 0.000 -1.778) 4.473 49.070 ( -1.400 0.000 0.927) 1.679 49.240 ( 0.696 0.000 -1.751) 1.884 49.534 ( -0.413 0.000 1.323) 1.386 49.648 ( 1.698 0.000 -0.744) 1.854 86.557 ( 1.034 0.000 -0.389) 1.105 86.665 ( -0.525 0.000 0.762) 0.926 87.355 ( 14.277 0.000 -1.771) 14.387 87.356 ( 15.789 -0.000 -2.313) 15.958 89.310 ( -1.802 0.000 -0.868) 2.000 89.392 ( -0.969 0.000 3.633) 3.760 89.558 ( -3.485 0.000 0.110) 3.487 89.584 ( -3.880 0.000 7.623) 8.554 89.856 ( -1.695 0.000 2.060) 2.668 89.972 ( -2.222 0.000 5.560) 5.987 91.328 ( 6.443 0.000 -15.123) 16.438 91.953 ( 2.033 0.000 -15.466) 15.599 92.069 ( 7.617 0.000 11.289) 13.618 92.413 ( -9.991 0.000 -1.673) 10.130 92.921 ( -4.087 0.000 -8.186) 9.149 93.241 ( 1.565 0.000 1.549) 2.202 95.078 ( -2.959 0.000 8.172) 8.691 95.774 ( -2.498 0.000 5.226) 5.793 95.969 ( 0.063 0.000 0.193) 0.203 96.417 ( -2.476 0.000 9.277) 9.601 96.773 ( 3.631 -0.000 -7.854) 8.653 96.818 ( -0.848 0.000 12.665) 12.693 97.125 ( -1.058 0.000 -1.200) 1.599 98.873 ( -5.915 0.000 -16.137) 17.187 ======================= Grid point 97 (52/125) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 5.197 0.000 7.511) 9.134 3.102 ( -6.178 -0.000 0.696) 6.217 3.204 ( -1.035 0.000 -2.990) 3.163 3.307 ( -0.034 0.000 -12.969) 12.969 3.505 ( -1.605 -0.000 1.715) 2.349 3.806 ( -4.992 0.000 9.163) 10.434 3.825 ( -2.080 0.000 -9.922) 10.137 4.062 ( 6.407 0.000 -3.387) 7.247 4.109 ( -3.623 0.000 6.179) 7.163 4.392 ( -1.770 0.000 1.714) 2.464 4.628 ( 6.503 0.000 4.698) 8.022 4.753 ( 3.628 0.000 5.384) 6.492 4.879 ( -0.920 0.000 -6.987) 7.048 5.044 ( -4.178 0.000 12.209) 12.904 5.237 ( 0.744 0.000 -9.793) 9.821 5.400 ( 12.784 -0.000 2.317) 12.992 5.466 ( 12.373 0.000 2.833) 12.693 5.716 ( 3.689 0.000 -2.542) 4.480 5.765 ( 3.006 0.000 -5.055) 5.881 5.814 ( -3.969 0.000 4.660) 6.122 5.971 ( 3.411 0.000 6.337) 7.197 6.064 ( 9.804 0.000 1.884) 9.983 6.228 ( -2.383 0.000 2.261) 3.285 6.261 ( -9.037 0.000 5.728) 10.699 6.497 ( -0.268 0.000 -0.862) 0.903 6.546 ( 0.325 0.000 -8.139) 8.146 6.632 ( -6.822 0.000 -4.202) 8.012 7.009 ( 3.819 0.000 4.430) 5.849 7.092 ( 4.996 0.000 2.361) 5.526 7.341 ( -7.971 0.000 3.286) 8.622 7.569 ( -3.744 -2.355 -8.276) 9.384 7.569 ( 2.304 2.355 6.628) 7.402 7.591 ( -11.421 0.000 2.593) 11.712 7.845 ( 4.717 0.000 0.535) 4.748 8.651 ( 17.125 0.000 -8.777) 19.243 8.830 ( 3.207 0.000 -1.166) 3.412 8.912 ( -10.618 -0.000 -12.298) 16.247 8.943 ( -8.566 0.000 1.544) 8.705 9.312 ( -6.283 0.000 8.032) 10.198 9.536 ( -7.636 0.000 -5.724) 9.543 10.302 ( -3.598 0.000 6.009) 7.004 11.138 ( 0.972 0.000 -5.351) 5.438 11.959 ( -0.874 0.000 -0.305) 0.926 12.255 ( 3.340 0.000 -3.188) 4.617 12.657 ( -0.843 0.000 1.543) 1.758 12.816 ( 1.714 0.000 1.246) 2.119 12.904 ( 1.867 0.000 1.339) 2.298 13.081 ( 4.227 0.000 -4.457) 6.143 13.329 ( -4.774 0.000 3.982) 6.216 13.405 ( -2.851 -0.000 -2.214) 3.609 15.639 ( 0.891 0.000 -2.505) 2.659 15.708 ( 4.052 0.000 -0.874) 4.145 15.776 ( 1.781 0.000 1.343) 2.231 15.850 ( -2.613 0.000 -2.649) 3.721 16.004 ( -1.811 0.000 2.714) 3.263 16.079 ( -0.665 0.000 5.848) 5.886 16.275 ( -0.478 0.000 1.501) 1.576 16.515 ( -0.844 0.000 0.175) 0.862 16.713 ( 1.481 0.000 -6.846) 7.004 17.073 ( -0.394 0.000 1.570) 1.619 17.223 ( 2.376 0.000 -6.935) 7.331 17.548 ( 0.075 0.000 -1.754) 1.755 21.715 ( 0.836 0.000 0.397) 0.925 21.929 ( -6.151 0.000 4.474) 7.606 22.141 ( 0.108 0.000 -5.163) 5.164 22.318 ( 2.607 0.000 2.418) 3.556 22.323 ( -0.848 -0.000 -3.684) 3.781 22.353 ( -0.372 0.000 6.002) 6.014 22.624 ( -0.869 0.000 2.124) 2.295 22.756 ( 1.565 0.000 1.605) 2.242 22.946 ( -0.283 0.000 2.110) 2.129 23.374 ( 3.671 0.000 -1.331) 3.905 23.423 ( 1.222 0.000 6.500) 6.614 23.477 ( -3.461 0.000 1.515) 3.778 23.761 ( 0.001 0.000 -2.826) 2.826 23.823 ( -2.658 0.000 3.179) 4.144 24.560 ( -0.191 0.000 3.663) 3.668 24.646 ( -0.110 -0.000 -2.254) 2.257 24.851 ( -2.299 0.000 6.275) 6.683 26.014 ( 5.394 0.000 -5.312) 7.571 26.301 ( 8.881 0.000 -21.719) 23.465 26.459 ( 2.008 0.000 -2.766) 3.418 27.192 ( -5.395 -0.000 -3.998) 6.715 27.250 ( -1.092 0.000 5.624) 5.729 27.412 ( 3.843 0.000 -0.086) 3.844 27.884 ( 1.613 0.000 -0.457) 1.676 27.938 ( 1.642 0.000 4.365) 4.664 28.228 ( 7.670 0.000 6.504) 10.056 28.443 ( -2.858 0.000 -0.025) 2.858 28.541 ( 14.389 0.000 -4.167) 14.980 28.805 ( -14.911 -0.000 13.270) 19.960 29.159 ( -2.061 0.000 -7.726) 7.996 29.364 ( 7.822 0.000 -20.335) 21.788 29.967 ( 4.799 0.000 -6.468) 8.054 30.057 ( -12.278 0.000 1.198) 12.337 30.166 ( -0.488 0.000 -0.148) 0.510 30.366 ( -1.947 0.000 1.039) 2.207 30.394 ( -7.671 0.000 13.358) 15.404 31.277 ( 1.269 0.000 4.797) 4.962 31.508 ( -4.285 0.000 5.650) 7.091 31.546 ( 13.967 0.000 -8.321) 16.258 32.142 ( -16.027 0.000 7.548) 17.715 32.773 ( -1.349 0.000 4.486) 4.684 33.216 ( 1.176 0.000 -3.549) 3.739 33.562 ( 1.206 0.000 -4.434) 4.595 33.983 ( -1.379 0.000 1.968) 2.403 34.388 ( -1.092 0.000 0.139) 1.101 34.882 ( 4.759 0.000 4.799) 6.758 35.208 ( 5.577 0.000 -6.718) 8.731 35.465 ( -3.784 0.000 1.964) 4.263 36.606 ( -0.229 0.000 4.438) 4.444 37.287 ( -1.104 0.000 2.025) 2.307 37.622 ( 13.497 0.000 4.452) 14.212 37.751 ( -14.206 0.000 -3.424) 14.612 37.774 ( -2.263 0.000 2.576) 3.429 38.299 ( 6.872 -0.000 0.073) 6.873 38.308 ( -0.011 0.000 -2.333) 2.333 38.530 ( -8.602 0.000 5.287) 10.097 38.935 ( 4.295 0.000 -6.284) 7.612 39.154 ( 1.488 0.000 -1.918) 2.428 39.242 ( -1.122 0.000 0.474) 1.218 39.485 ( -2.252 0.000 -2.501) 3.366 49.054 ( -0.799 0.000 0.923) 1.221 49.246 ( 0.838 0.000 -1.783) 1.970 49.530 ( -0.615 0.000 1.393) 1.523 49.670 ( 0.946 0.000 -0.717) 1.187 86.580 ( 1.348 0.000 0.262) 1.373 86.665 ( -0.247 0.000 0.524) 0.579 87.538 ( 5.780 0.000 -2.576) 6.328 87.572 ( 7.865 -0.000 -3.415) 8.574 89.288 ( -0.193 0.000 -0.433) 0.474 89.386 ( -1.457 0.000 3.799) 4.069 89.471 ( -8.582 0.000 0.497) 8.596 89.511 ( -1.258 0.000 0.902) 1.548 89.846 ( -1.075 0.000 1.440) 1.797 90.016 ( 2.339 0.000 11.074) 11.318 91.382 ( 6.303 0.000 -12.643) 14.127 91.877 ( -0.656 0.000 -21.405) 21.415 92.204 ( -9.831 0.000 -2.672) 10.188 92.276 ( 7.162 0.000 12.060) 14.026 92.832 ( -0.729 0.000 -8.894) 8.923 93.301 ( 2.608 0.000 6.184) 6.711 95.076 ( -1.541 0.000 8.534) 8.672 95.751 ( -2.427 0.000 4.718) 5.306 95.972 ( 0.064 0.000 0.302) 0.309 96.404 ( -3.119 0.000 7.219) 7.864 96.788 ( 1.521 -0.000 -7.241) 7.399 96.851 ( -2.150 0.000 13.033) 13.209 97.106 ( 0.391 0.000 -3.350) 3.372 98.755 ( 0.963 0.000 -12.208) 12.246 ======================= Grid point 99 (53/125) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -2.120 0.000 -3.697) 4.262 3.075 ( -14.032 -0.000 2.281) 14.216 3.131 ( -7.116 0.000 -1.920) 7.370 3.193 ( 1.730 0.000 -3.734) 4.115 3.518 ( 5.113 0.000 -3.979) 6.479 3.669 ( -6.364 0.000 -8.015) 10.234 3.848 ( 5.595 0.000 -3.315) 6.504 4.142 ( 1.470 -0.000 15.676) 15.744 4.195 ( 2.775 0.000 -1.362) 3.091 4.416 ( 6.796 0.000 -0.226) 6.800 4.776 ( 4.873 0.000 9.847) 10.987 4.788 ( -2.613 -0.000 5.530) 6.116 4.799 ( -3.422 0.000 -8.913) 9.547 4.994 ( -6.792 0.000 9.023) 11.294 5.186 ( -2.540 -0.000 -6.556) 7.031 5.482 ( -10.263 0.000 -0.226) 10.265 5.556 ( 1.926 0.000 2.923) 3.501 5.764 ( 1.533 -0.000 2.988) 3.359 5.782 ( 0.436 -0.000 1.504) 1.566 5.852 ( 1.458 0.000 -0.457) 1.528 5.913 ( -0.609 0.000 3.838) 3.886 6.148 ( -9.797 0.000 10.535) 14.386 6.236 ( 6.895 0.000 -0.677) 6.928 6.281 ( 2.197 0.000 7.808) 8.111 6.430 ( -5.046 -0.000 -4.943) 7.063 6.494 ( -4.983 -0.000 -6.526) 8.210 6.617 ( 8.969 0.000 -2.142) 9.221 7.059 ( -6.239 -0.000 -0.851) 6.297 7.096 ( -2.292 0.000 7.125) 7.485 7.220 ( -6.349 -0.000 -5.793) 8.595 7.373 ( -2.384 0.000 -13.659) 13.865 7.469 ( 2.735 0.000 7.854) 8.317 7.774 ( 9.546 0.000 7.265) 11.996 8.068 ( 12.034 0.000 6.239) 13.555 8.629 ( -11.211 0.000 -13.011) 17.175 8.735 ( -7.772 0.000 -3.455) 8.505 8.954 ( 5.915 0.000 -1.560) 6.118 8.979 ( 19.505 -0.000 -3.450) 19.807 9.347 ( 5.393 0.000 7.200) 8.996 9.459 ( 3.512 0.000 -7.799) 8.554 10.303 ( 0.675 0.000 5.726) 5.766 11.109 ( -1.040 0.000 -6.685) 6.765 11.963 ( 1.373 0.000 0.065) 1.374 12.263 ( -0.911 0.000 -3.034) 3.168 12.656 ( -0.175 0.000 1.787) 1.796 12.777 ( -5.568 0.000 -0.255) 5.574 12.900 ( -2.554 0.000 0.548) 2.612 13.139 ( 3.652 0.000 -3.640) 5.156 13.256 ( -4.150 0.000 2.382) 4.785 13.449 ( 7.307 -0.000 0.125) 7.308 15.637 ( -0.073 0.000 -2.149) 2.150 15.707 ( -4.000 0.000 -0.753) 4.070 15.813 ( 1.195 0.000 2.431) 2.709 15.821 ( 1.610 0.000 -3.851) 4.174 15.971 ( -2.407 0.000 1.464) 2.817 16.099 ( -0.593 0.000 6.554) 6.581 16.320 ( 4.016 0.000 3.260) 5.173 16.476 ( -2.673 0.000 -1.318) 2.980 16.726 ( 3.090 0.000 -6.037) 6.782 17.104 ( 2.282 0.000 2.902) 3.691 17.209 ( -0.221 0.000 -7.869) 7.872 17.513 ( -2.481 0.000 -3.317) 4.142 21.759 ( 3.859 0.000 0.897) 3.962 21.826 ( -6.270 0.000 1.575) 6.465 22.079 ( -3.362 0.000 -5.699) 6.617 22.316 ( 1.198 0.000 0.274) 1.229 22.363 ( -0.242 0.000 4.273) 4.280 22.396 ( 2.458 0.000 2.094) 3.229 22.600 ( -2.217 0.000 0.813) 2.362 22.839 ( 4.905 0.000 5.564) 7.417 22.925 ( -2.222 0.000 1.157) 2.505 23.371 ( -2.501 0.000 -6.094) 6.588 23.420 ( -2.731 0.000 2.093) 3.441 23.465 ( -0.624 0.000 8.764) 8.786 23.797 ( -1.652 0.000 2.325) 2.852 23.810 ( 5.532 0.000 -0.657) 5.571 24.628 ( 4.314 -0.000 7.614) 8.751 24.634 ( 0.176 0.000 -2.854) 2.860 24.848 ( -1.147 0.000 6.145) 6.251 26.024 ( -1.796 0.000 -5.965) 6.229 26.310 ( 3.334 0.000 -22.466) 22.712 26.450 ( -1.357 0.000 -3.630) 3.875 27.130 ( 1.416 -0.000 -4.580) 4.794 27.146 ( -11.159 0.000 2.307) 11.395 27.432 ( -1.200 0.000 -0.795) 1.440 27.877 ( -2.288 0.000 -0.887) 2.454 27.978 ( -0.011 0.000 4.734) 4.734 28.251 ( -13.213 0.000 9.466) 16.254 28.485 ( 10.042 0.000 2.861) 10.441 28.605 ( -6.827 0.000 -1.266) 6.943 28.728 ( 0.944 -0.000 9.388) 9.435 29.070 ( -1.058 0.000 -12.405) 12.450 29.453 ( 11.485 0.000 -21.690) 24.543 29.892 ( -5.536 0.000 4.778) 7.313 30.079 ( 9.039 -0.000 -6.153) 10.934 30.149 ( 0.495 0.000 -1.145) 1.247 30.401 ( 2.338 0.000 12.342) 12.562 30.417 ( 4.841 -0.000 3.679) 6.080 31.306 ( -1.218 0.000 2.907) 3.152 31.489 ( -0.384 0.000 8.464) 8.472 31.772 ( 11.442 0.000 -8.414) 14.203 31.862 ( -13.870 0.000 5.094) 14.775 32.778 ( -0.213 0.000 4.023) 4.028 33.260 ( 4.468 0.000 -1.230) 4.634 33.555 ( 0.259 0.000 -4.305) 4.312 33.981 ( 0.188 0.000 2.249) 2.257 34.320 ( -5.098 0.000 -2.907) 5.869 34.981 ( 1.754 -0.000 8.660) 8.836 35.281 ( 5.935 0.000 -7.690) 9.713 35.383 ( -6.058 0.000 2.405) 6.518 36.600 ( -2.593 0.000 4.003) 4.769 37.236 ( -4.176 0.000 -2.236) 4.737 37.496 ( -10.687 0.000 3.327) 11.193 37.782 ( 1.723 0.000 3.016) 3.473 37.945 ( 16.584 0.000 2.811) 16.821 38.263 ( -2.963 0.000 -4.500) 5.387 38.382 ( -9.287 0.000 5.115) 10.603 38.417 ( 5.697 0.000 -0.966) 5.778 38.963 ( 1.697 0.000 -6.191) 6.420 39.153 ( -1.086 0.000 -0.431) 1.169 39.280 ( 4.462 0.000 2.131) 4.945 39.479 ( 3.124 0.000 -3.238) 4.500 49.051 ( 0.093 0.000 0.782) 0.787 49.253 ( 0.636 0.000 -1.540) 1.666 49.525 ( -0.559 0.000 1.197) 1.321 49.674 ( -0.226 0.000 -0.537) 0.583 86.601 ( 0.381 0.000 1.321) 1.375 86.653 ( -1.007 -0.000 -0.126) 1.015 87.526 ( -5.611 -0.000 -2.972) 6.350 87.576 ( -6.012 0.000 -3.666) 7.042 89.298 ( 1.333 0.000 0.009) 1.333 89.333 ( -4.981 0.000 -2.098) 5.405 89.376 ( -1.378 0.000 3.213) 3.496 89.530 ( 2.398 0.000 1.889) 3.053 89.842 ( 0.038 0.000 2.061) 2.062 90.115 ( 1.800 0.000 11.729) 11.867 91.429 ( 4.767 0.000 -13.223) 14.056 91.761 ( 0.070 0.000 -21.515) 21.515 92.005 ( -9.596 0.000 -1.681) 9.742 92.468 ( 6.916 0.000 10.661) 12.708 92.813 ( 2.985 0.000 -8.898) 9.385 93.383 ( 2.880 0.000 6.314) 6.940 95.099 ( -0.688 0.000 9.983) 10.007 95.732 ( -1.849 0.000 4.509) 4.874 95.974 ( -0.027 0.000 0.364) 0.365 96.373 ( -3.296 0.000 5.365) 6.297 96.765 ( 0.339 -0.000 -8.799) 8.805 96.858 ( -3.710 0.000 13.081) 13.597 97.109 ( 1.336 0.000 -2.672) 2.988 98.804 ( 9.650 0.000 -10.089) 13.961 ======================= Grid point 101 (54/125) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -22.574 0.000 -3.479) 22.841 2.964 ( -1.923 -0.000 -6.673) 6.944 3.057 ( -4.684 0.000 7.834) 9.128 3.226 ( 3.875 0.000 -5.984) 7.129 3.592 ( 0.556 -0.000 1.360) 1.469 3.625 ( 6.966 0.000 -2.521) 7.408 3.939 ( 6.598 0.000 -7.396) 9.911 4.133 ( -4.769 0.000 -5.739) 7.462 4.268 ( 3.198 0.000 15.006) 15.343 4.599 ( 6.992 0.000 4.914) 8.546 4.655 ( -7.172 -0.000 -8.756) 11.318 4.719 ( -4.403 0.000 -1.764) 4.743 4.839 ( -13.306 0.000 3.993) 13.893 4.892 ( 1.238 0.000 11.968) 12.032 5.096 ( -3.087 0.000 -2.924) 4.252 5.284 ( -7.576 0.000 6.334) 9.875 5.557 ( -0.641 0.000 -3.184) 3.248 5.764 ( -0.870 -0.000 -1.566) 1.792 5.791 ( -2.685 0.000 1.395) 3.026 5.883 ( 1.783 0.000 6.646) 6.881 5.993 ( -11.466 0.000 14.635) 18.592 6.023 ( 3.315 -0.000 3.239) 4.635 6.192 ( -9.758 0.000 1.886) 9.938 6.324 ( 4.974 0.000 -1.572) 5.217 6.348 ( -3.039 0.000 -0.926) 3.177 6.374 ( -4.661 -0.000 -6.264) 7.808 6.800 ( 9.973 0.000 -1.650) 10.108 6.896 ( -8.526 -0.000 -5.427) 10.107 6.977 ( -7.078 0.000 0.946) 7.141 7.204 ( 4.610 -0.000 -1.016) 4.721 7.419 ( 6.584 0.000 -5.698) 8.707 7.593 ( 5.583 0.000 5.666) 7.955 7.939 ( 4.126 0.000 3.665) 5.518 8.229 ( 1.689 0.000 5.768) 6.010 8.400 ( -6.771 0.000 -8.732) 11.050 8.584 ( -6.651 0.000 -3.395) 7.467 9.109 ( 12.057 0.000 -4.131) 12.745 9.331 ( 18.826 0.000 -2.118) 18.945 9.544 ( 12.384 0.000 5.157) 13.415 9.604 ( 15.327 -0.000 -6.359) 16.594 10.370 ( 3.728 0.000 3.928) 5.416 11.040 ( -2.751 0.000 -7.750) 8.224 12.008 ( 3.345 0.000 0.338) 3.362 12.198 ( -4.783 0.000 -1.717) 5.082 12.637 ( -8.791 0.000 0.301) 8.796 12.657 ( -0.953 0.000 1.500) 1.777 12.847 ( -2.895 0.000 0.054) 2.895 13.153 ( -1.090 0.000 -0.759) 1.328 13.236 ( 1.843 0.000 -0.838) 2.024 13.612 ( 9.002 0.000 0.335) 9.008 15.609 ( -5.478 0.000 -0.545) 5.505 15.613 ( -1.582 0.000 -1.393) 2.108 15.836 ( 1.723 -0.000 -4.039) 4.391 15.843 ( 0.809 0.000 2.208) 2.351 15.936 ( -1.936 0.000 1.011) 2.184 16.113 ( -1.260 0.000 6.417) 6.539 16.424 ( -2.003 0.000 -0.918) 2.203 16.440 ( 6.908 0.000 3.104) 7.574 16.765 ( 3.848 0.000 -5.269) 6.524 17.147 ( -2.086 0.000 -8.395) 8.651 17.166 ( 2.634 0.000 2.944) 3.950 17.434 ( -3.834 0.000 -4.005) 5.544 21.727 ( -4.823 0.000 1.237) 4.979 21.865 ( 6.861 0.000 1.015) 6.935 21.996 ( -2.838 0.000 -3.655) 4.627 22.331 ( -4.635 -0.000 3.942) 6.085 22.334 ( -0.466 0.000 3.348) 3.380 22.481 ( 6.741 0.000 -2.076) 7.054 22.561 ( -2.606 0.000 0.310) 2.624 22.897 ( -1.299 0.000 1.848) 2.259 22.952 ( 3.260 0.000 7.035) 7.753 23.264 ( -5.395 0.000 -5.673) 7.829 23.391 ( -0.556 0.000 -0.681) 0.879 23.483 ( -2.073 0.000 9.881) 10.096 23.783 ( -0.687 0.000 1.670) 1.805 23.917 ( 5.552 0.000 -0.622) 5.587 24.629 ( 0.876 0.000 -2.995) 3.120 24.755 ( 4.046 0.000 9.053) 9.917 24.863 ( -0.240 0.000 5.693) 5.698 25.907 ( -6.393 0.000 -8.344) 10.511 26.226 ( -0.841 0.000 -21.486) 21.502 26.388 ( -3.173 0.000 -3.041) 4.395 26.914 ( -13.539 0.000 2.168) 13.711 27.190 ( 5.934 0.000 -2.115) 6.300 27.404 ( -0.623 0.000 -0.932) 1.122 27.795 ( -5.254 0.000 -2.405) 5.778 27.859 ( -16.044 0.000 8.416) 18.117 28.139 ( -0.481 0.000 2.802) 2.843 28.379 ( -14.361 0.000 0.281) 14.364 28.678 ( 7.946 0.000 2.847) 8.440 28.834 ( 3.931 0.000 11.441) 12.098 29.005 ( 0.839 0.000 -15.090) 15.113 29.510 ( 3.976 0.000 -16.575) 17.045 29.932 ( 6.751 0.000 2.031) 7.050 30.182 ( 2.475 -0.000 1.167) 2.736 30.210 ( 7.974 0.000 -3.603) 8.751 30.556 ( 8.663 0.000 1.906) 8.870 30.572 ( 9.762 -0.000 7.185) 12.121 31.259 ( -3.127 0.000 -2.700) 4.131 31.538 ( -16.905 0.000 2.585) 17.101 31.558 ( 0.568 0.000 15.260) 15.271 32.033 ( 14.245 0.000 -6.444) 15.635 32.800 ( 0.702 0.000 2.854) 2.939 33.363 ( 6.892 0.000 0.108) 6.893 33.534 ( -0.497 0.000 -3.247) 3.284 34.002 ( 0.898 0.000 -0.790) 1.196 34.199 ( -6.183 0.000 -0.551) 6.208 35.005 ( -3.796 -0.000 9.339) 10.081 35.271 ( -6.268 0.000 1.481) 6.441 35.355 ( 5.504 0.000 -7.901) 9.630 36.556 ( -3.933 0.000 4.711) 6.137 37.151 ( -2.771 0.000 -2.460) 3.705 37.358 ( -8.142 0.000 7.905) 11.349 37.860 ( 4.924 0.000 3.282) 5.918 38.158 ( -0.515 0.000 -1.454) 1.543 38.169 ( -4.427 0.000 -5.447) 7.019 38.323 ( 6.347 0.000 6.134) 8.827 38.496 ( 3.602 0.000 -2.368) 4.311 38.943 ( -0.330 0.000 -6.760) 6.768 39.123 ( -1.664 0.000 -0.133) 1.670 39.417 ( 8.754 0.000 2.311) 9.053 39.548 ( 5.230 0.000 -3.000) 6.029 49.064 ( 0.930 0.000 0.598) 1.105 49.254 ( 0.207 0.000 -1.185) 1.203 49.522 ( -0.267 0.000 0.865) 0.906 49.657 ( -1.301 0.000 -0.327) 1.342 86.603 ( -0.955 0.000 1.953) 2.174 86.638 ( 0.129 -0.000 -0.740) 0.751 87.327 ( -13.524 -0.000 -2.691) 13.789 87.344 ( -15.708 0.000 -3.387) 16.069 89.286 ( 0.451 0.000 -0.500) 0.673 89.335 ( 2.423 0.000 0.374) 2.452 89.369 ( -0.667 0.000 2.143) 2.245 89.596 ( 3.092 0.000 2.065) 3.719 89.869 ( 1.467 0.000 2.943) 3.288 90.172 ( -1.415 0.000 10.408) 10.504 91.410 ( 1.692 0.000 -20.327) 20.397 91.724 ( 4.739 0.000 -12.419) 13.293 91.852 ( -6.427 0.000 0.433) 6.442 92.614 ( 4.076 0.000 8.252) 9.204 92.848 ( 4.935 0.000 -8.375) 9.721 93.450 ( 1.688 0.000 2.520) 3.033 95.137 ( -0.838 0.000 11.663) 11.693 95.727 ( -1.018 0.000 4.986) 5.089 95.974 ( -0.143 0.000 0.334) 0.364 96.343 ( -2.123 0.000 4.648) 5.110 96.731 ( 1.137 0.000 -10.533) 10.594 96.835 ( -5.273 0.000 12.880) 13.917 97.123 ( 0.937 0.000 -0.606) 1.116 98.986 ( 14.263 0.000 -11.174) 18.119 ======================= Grid point 103 (55/125) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -14.300 0.000 1.135) 14.345 2.910 ( -0.155 -0.000 -2.830) 2.834 3.034 ( -2.470 0.000 10.307) 10.599 3.284 ( 6.134 0.000 -7.176) 9.440 3.650 ( 0.808 -0.000 5.661) 5.718 3.723 ( 3.941 0.000 -1.152) 4.106 3.998 ( 2.925 0.000 -6.872) 7.469 4.049 ( 0.955 -0.000 -6.825) 6.891 4.348 ( -0.494 0.000 5.221) 5.245 4.516 ( -2.883 -0.000 -0.900) 3.020 4.539 ( -14.183 0.000 4.751) 14.957 4.555 ( -8.431 0.000 2.759) 8.871 4.816 ( 6.078 0.000 -2.467) 6.560 4.910 ( -2.765 0.000 6.130) 6.725 5.094 ( 0.833 0.000 0.722) 1.102 5.283 ( 3.387 0.000 3.883) 5.153 5.494 ( -2.585 0.000 -6.741) 7.219 5.670 ( -7.938 -0.000 -2.557) 8.340 5.715 ( -10.419 0.000 1.232) 10.492 5.785 ( -6.204 0.000 -4.663) 7.761 5.923 ( -4.557 0.000 14.048) 14.769 6.052 ( 3.674 0.000 -1.601) 4.007 6.190 ( 1.129 0.000 11.456) 11.511 6.281 ( -3.945 0.000 3.103) 5.019 6.286 ( -2.347 -0.000 -3.055) 3.852 6.442 ( 7.481 0.000 2.583) 7.915 6.737 ( -5.265 0.000 -5.318) 7.483 6.856 ( -2.037 0.000 -3.363) 3.931 6.979 ( 6.147 0.000 -1.510) 6.330 7.289 ( 4.010 -0.000 -0.458) 4.036 7.483 ( 3.312 0.000 -5.294) 6.245 7.704 ( 3.237 0.000 5.647) 6.509 7.950 ( -1.777 0.000 -0.982) 2.030 8.215 ( -5.042 0.000 5.272) 7.295 8.313 ( -0.851 0.000 -4.321) 4.404 8.480 ( -2.414 0.000 -2.330) 3.356 9.298 ( 8.675 0.000 -2.736) 9.097 9.596 ( 10.422 0.000 -2.441) 10.704 9.806 ( 11.620 0.000 2.754) 11.942 9.910 ( 18.535 -0.000 -5.021) 19.203 10.450 ( 2.687 0.000 1.926) 3.306 10.950 ( -2.271 0.000 -7.581) 7.914 12.080 ( 3.909 -0.000 0.069) 3.909 12.087 ( -6.100 0.000 0.118) 6.101 12.486 ( -7.291 0.000 1.690) 7.484 12.633 ( -1.854 0.000 1.016) 2.114 12.804 ( -1.729 0.000 0.437) 1.783 13.129 ( -0.695 0.000 -1.739) 1.873 13.282 ( 2.804 0.000 0.690) 2.888 13.748 ( 5.209 0.000 -0.897) 5.285 15.520 ( -3.613 0.000 -0.294) 3.625 15.573 ( -1.857 0.000 -0.901) 2.064 15.850 ( 1.848 -0.000 -3.245) 3.734 15.855 ( -0.393 0.000 0.255) 0.469 15.916 ( -0.703 0.000 1.507) 1.663 16.114 ( -1.618 0.000 6.118) 6.328 16.404 ( -0.081 0.000 0.881) 0.885 16.571 ( 5.280 0.000 -0.054) 5.280 16.809 ( 2.936 0.000 -4.131) 5.068 17.069 ( -1.518 0.000 -8.476) 8.610 17.214 ( 1.009 0.000 2.057) 2.291 17.357 ( -2.052 0.000 -2.671) 3.368 21.668 ( -2.259 0.000 1.752) 2.859 21.953 ( -0.472 0.000 -0.696) 0.841 21.996 ( 5.660 0.000 1.591) 5.879 22.280 ( -1.572 0.000 3.766) 4.081 22.331 ( -1.273 0.000 2.508) 2.812 22.492 ( -4.808 0.000 0.530) 4.837 22.602 ( 6.853 0.000 -2.934) 7.455 22.892 ( -0.718 0.000 2.730) 2.822 22.995 ( -1.724 0.000 4.290) 4.624 23.136 ( -4.811 0.000 -6.691) 8.241 23.407 ( 2.108 0.000 1.512) 2.594 23.475 ( -3.604 0.000 8.527) 9.258 23.795 ( 0.900 0.000 2.788) 2.930 23.988 ( 2.572 0.000 -2.041) 3.284 24.637 ( 1.293 0.000 -2.630) 2.931 24.819 ( -0.801 0.000 5.262) 5.323 24.897 ( 0.282 0.000 6.736) 6.742 25.759 ( -4.022 0.000 -9.305) 10.137 26.104 ( -1.213 0.000 -19.803) 19.840 26.324 ( -2.289 0.000 -1.473) 2.722 26.730 ( -7.205 0.000 5.321) 8.957 27.294 ( 5.339 0.000 -0.350) 5.351 27.410 ( 1.157 0.000 1.075) 1.579 27.605 ( -12.909 0.000 3.914) 13.490 27.697 ( -3.289 0.000 -1.905) 3.801 28.144 ( -10.338 0.000 -1.414) 10.434 28.160 ( 0.764 0.000 1.545) 1.724 28.772 ( 1.327 0.000 -0.079) 1.330 28.967 ( 3.458 -0.000 16.011) 16.380 28.973 ( 3.246 0.000 -13.744) 14.122 29.479 ( 0.798 0.000 -13.403) 13.427 30.061 ( 4.754 0.000 1.284) 4.924 30.220 ( 0.184 0.000 2.094) 2.102 30.353 ( 9.772 0.000 -6.222) 11.585 30.730 ( 8.608 0.000 -0.523) 8.624 30.769 ( 8.422 0.000 1.698) 8.592 31.190 ( -1.758 0.000 -5.098) 5.393 31.264 ( -14.623 0.000 6.072) 15.834 31.619 ( -2.667 0.000 18.204) 18.398 32.235 ( 10.309 0.000 -5.178) 11.536 32.823 ( 0.347 0.000 2.028) 2.058 33.504 ( 7.771 0.000 0.053) 7.771 33.512 ( -0.387 0.000 -2.045) 2.081 33.956 ( -3.946 0.000 -7.164) 8.179 34.147 ( -0.603 0.000 6.626) 6.653 34.940 ( -6.961 0.000 7.523) 10.249 35.173 ( -4.481 0.000 0.069) 4.482 35.415 ( 4.731 0.000 -7.331) 8.725 36.515 ( -2.996 0.000 6.063) 6.762 37.128 ( 0.425 0.000 1.081) 1.161 37.256 ( -6.867 0.000 7.919) 10.482 37.977 ( 5.573 0.000 3.518) 6.591 38.065 ( -3.878 -0.000 -4.871) 6.226 38.075 ( -4.369 0.000 0.415) 4.388 38.494 ( 3.976 0.000 3.297) 5.165 38.535 ( 4.593 0.000 -4.359) 6.332 38.897 ( -0.721 0.000 -7.791) 7.824 39.099 ( -0.650 0.000 -0.465) 0.799 39.580 ( 6.935 0.000 -0.159) 6.937 39.622 ( 3.780 0.000 -2.459) 4.510 49.087 ( 1.101 0.000 0.456) 1.192 49.250 ( -0.121 0.000 -1.000) 1.007 49.524 ( 0.033 0.000 0.663) 0.664 49.628 ( -1.496 0.000 -0.193) 1.508 86.588 ( -1.479 0.000 1.830) 2.353 86.673 ( 4.690 0.000 -0.963) 4.788 87.050 ( -14.357 -0.000 -1.647) 14.451 87.051 ( -12.540 0.000 -2.131) 12.720 89.330 ( 3.078 0.000 3.709) 4.820 89.372 ( 0.176 0.000 1.046) 1.061 89.377 ( 1.587 0.000 0.157) 1.595 89.647 ( 1.299 0.000 1.541) 2.016 89.914 ( 1.704 0.000 2.827) 3.301 90.159 ( -4.804 0.000 9.057) 10.252 91.337 ( 2.176 0.000 -23.079) 23.181 91.780 ( -2.324 0.000 3.274) 4.015 91.791 ( 6.558 -0.000 -6.678) 9.359 92.687 ( 0.321 0.000 5.374) 5.383 92.910 ( 5.335 0.000 -6.438) 8.361 93.454 ( -1.231 0.000 -3.453) 3.666 95.163 ( -2.562 0.000 11.546) 11.827 95.744 ( -0.116 0.000 6.583) 6.584 95.972 ( -0.198 0.000 0.233) 0.306 96.345 ( -0.229 0.000 5.666) 5.671 96.713 ( 2.366 0.000 -11.093) 11.342 96.790 ( -5.732 0.000 12.507) 13.758 97.137 ( 0.445 0.000 1.050) 1.141 99.170 ( 10.936 0.000 -14.692) 18.316 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 25.661 0.000 29.786) 39.315 1.685 ( -5.236 0.000 41.500) 41.829 2.344 ( -11.678 0.000 58.338) 59.496 2.572 ( -4.252 0.000 -21.143) 21.566 3.508 ( -0.706 0.000 -13.877) 13.895 3.867 ( 3.466 0.000 2.838) 4.480 4.117 ( -7.376 0.000 10.424) 12.770 4.156 ( -17.888 0.000 3.598) 18.246 4.387 ( 4.371 0.000 4.732) 6.442 4.508 ( -0.569 0.000 5.765) 5.793 4.711 ( 1.686 0.000 1.713) 2.404 4.765 ( 1.221 0.000 -9.023) 9.105 4.921 ( -0.256 0.000 -0.846) 0.883 4.947 ( 2.534 0.000 -2.124) 3.306 5.210 ( 4.627 0.000 7.242) 8.594 5.534 ( -1.063 0.000 0.877) 1.378 5.535 ( -0.484 0.000 0.412) 0.635 5.556 ( 0.086 0.000 -4.402) 4.402 5.606 ( 2.191 0.000 -9.159) 9.417 5.820 ( -3.092 0.000 -3.800) 4.899 5.964 ( -0.604 0.000 6.497) 6.525 6.254 ( 9.230 0.000 -4.330) 10.195 6.342 ( -2.805 0.000 -11.451) 11.790 6.411 ( 15.158 0.000 -8.277) 17.270 6.688 ( -1.383 0.000 -7.741) 7.863 6.849 ( -7.270 0.000 -6.224) 9.571 6.892 ( -9.329 0.000 -1.672) 9.478 7.015 ( 6.917 0.000 -8.170) 10.705 7.266 ( -6.553 0.000 0.224) 6.557 7.331 ( 11.947 0.000 2.436) 12.193 7.419 ( -2.689 0.000 -1.183) 2.937 7.528 ( -10.654 0.000 -3.951) 11.363 8.082 ( 7.647 0.000 6.045) 9.748 8.089 ( 8.242 0.000 5.585) 9.956 8.674 ( 0.172 0.000 -0.365) 0.403 8.719 ( 0.325 0.000 -0.008) 0.325 8.918 ( 0.829 0.000 5.630) 5.691 9.330 ( -0.404 0.000 -6.294) 6.307 9.737 ( 0.262 0.000 -1.763) 1.783 9.932 ( 2.524 0.000 -6.784) 7.238 10.169 ( -0.046 0.000 4.472) 4.472 10.313 ( 2.448 0.000 -0.608) 2.522 12.053 ( -1.375 0.000 0.424) 1.439 12.099 ( -1.000 0.000 -0.629) 1.181 12.293 ( 2.352 0.000 2.915) 3.745 12.396 ( 1.840 0.000 -0.285) 1.862 12.780 ( -2.200 0.000 4.836) 5.313 13.019 ( 1.552 0.000 -2.443) 2.895 13.267 ( -4.815 0.000 8.508) 9.776 13.771 ( 0.896 0.000 -6.308) 6.371 15.568 ( 1.550 0.000 -0.665) 1.687 15.607 ( -0.637 0.000 -1.075) 1.250 15.818 ( -2.474 0.000 0.170) 2.480 15.866 ( 2.396 0.000 -2.514) 3.473 16.163 ( -1.642 0.000 -0.348) 1.679 16.355 ( 1.209 0.000 -6.800) 6.906 16.459 ( 3.049 0.000 5.606) 6.381 16.688 ( -3.630 0.000 -1.167) 3.813 16.780 ( 0.296 0.000 1.131) 1.170 16.983 ( -3.181 0.000 -1.534) 3.532 17.148 ( -2.908 0.000 4.292) 5.184 17.324 ( 4.304 0.000 -2.977) 5.234 22.053 ( -1.470 0.000 2.217) 2.660 22.081 ( -4.277 0.000 3.839) 5.748 22.202 ( 5.050 0.000 -1.926) 5.405 22.220 ( -1.910 0.000 -0.326) 1.938 22.462 ( 3.606 0.000 2.973) 4.673 22.596 ( -2.039 0.000 3.700) 4.225 22.713 ( 1.229 0.000 -3.373) 3.590 22.756 ( -2.755 0.000 -2.180) 3.513 23.128 ( -2.771 0.000 0.126) 2.774 23.145 ( 4.976 0.000 2.315) 5.488 23.547 ( -1.195 0.000 0.701) 1.386 23.655 ( 0.104 0.000 -2.487) 2.489 23.726 ( -7.269 0.000 8.411) 11.117 23.937 ( 4.587 0.000 0.971) 4.688 24.530 ( -2.327 0.000 -3.130) 3.900 25.160 ( -3.212 0.000 6.412) 7.171 25.225 ( 3.692 0.000 -6.397) 7.386 25.438 ( -1.794 0.000 -9.273) 9.445 26.045 ( -0.022 0.000 8.359) 8.359 26.086 ( 2.384 0.000 -4.762) 5.325 26.734 ( -1.239 0.000 14.766) 14.818 27.383 ( -5.322 0.000 -3.763) 6.518 27.426 ( -1.473 0.000 -5.014) 5.226 27.531 ( -3.035 0.000 2.640) 4.023 27.709 ( -2.973 0.000 -12.834) 13.174 28.480 ( 8.029 0.000 -21.574) 23.020 28.797 ( 9.051 0.000 -3.615) 9.746 28.901 ( 15.198 0.000 -5.314) 16.100 29.011 ( -5.385 0.000 7.898) 9.559 29.138 ( 3.566 0.000 1.987) 4.082 29.675 ( 6.521 0.000 2.638) 7.034 29.868 ( -3.871 0.000 2.691) 4.715 30.002 ( -5.644 0.000 1.691) 5.892 30.188 ( 5.991 0.000 1.456) 6.166 30.386 ( 3.697 0.000 0.571) 3.740 30.389 ( -4.180 0.000 3.392) 5.383 30.817 ( 0.267 0.000 5.677) 5.684 31.373 ( 1.063 0.000 7.801) 7.873 31.706 ( -3.606 0.000 -15.832) 16.238 31.806 ( -4.514 0.000 -10.822) 11.726 32.824 ( 8.259 0.000 8.274) 11.691 33.090 ( -1.256 0.000 1.741) 2.147 33.251 ( -11.556 0.000 12.335) 16.903 33.740 ( 1.735 0.000 -2.219) 2.817 34.693 ( -0.142 0.000 5.396) 5.398 34.844 ( 2.499 0.000 1.014) 2.697 34.989 ( -5.348 0.000 3.075) 6.168 35.328 ( 4.920 0.000 -4.355) 6.571 36.401 ( -0.931 0.000 5.209) 5.292 36.560 ( -0.332 0.000 -1.694) 1.726 37.659 ( -5.952 0.000 8.978) 10.771 37.797 ( 3.160 0.000 1.741) 3.608 38.063 ( 3.290 0.000 2.379) 4.060 38.405 ( -1.880 0.000 -2.462) 3.098 38.415 ( 5.231 0.000 -7.570) 9.202 38.511 ( 2.964 0.000 -6.509) 7.152 39.047 ( 1.924 0.000 1.755) 2.604 39.117 ( -7.743 0.000 -0.426) 7.755 39.479 ( -2.030 0.000 0.159) 2.036 39.579 ( 2.817 0.000 -2.739) 3.929 49.222 ( -0.024 0.000 1.989) 1.990 49.383 ( -0.146 0.000 -3.043) 3.046 49.435 ( -4.902 0.000 1.451) 5.113 49.512 ( 1.446 0.000 -0.580) 1.558 86.564 ( -2.691 0.000 -0.877) 2.830 86.584 ( 3.510 0.000 -1.999) 4.040 86.881 ( -7.756 0.000 5.167) 9.320 87.146 ( 12.360 0.000 -3.398) 12.818 89.468 ( 2.089 0.000 2.289) 3.099 89.481 ( -1.461 0.000 0.211) 1.476 89.630 ( -1.228 0.000 2.473) 2.762 89.768 ( 1.645 0.000 -2.817) 3.262 90.631 ( 11.094 0.000 7.327) 13.295 91.036 ( -1.767 0.000 2.538) 3.092 91.159 ( 5.799 0.000 -6.602) 8.787 91.247 ( 1.835 0.000 -5.595) 5.888 92.128 ( 1.702 0.000 2.776) 3.257 92.264 ( -0.505 0.000 0.952) 1.078 92.877 ( -7.011 0.000 7.895) 10.559 93.582 ( -0.494 0.000 -18.608) 18.614 95.345 ( -2.059 0.000 4.975) 5.384 95.719 ( 1.402 0.000 -7.461) 7.591 96.059 ( -3.027 0.000 17.881) 18.135 96.244 ( -0.737 0.000 7.355) 7.392 96.840 ( 3.952 0.000 4.436) 5.941 96.893 ( 0.029 0.000 -6.757) 6.757 97.134 ( -2.298 0.000 -9.085) 9.371 97.191 ( 1.663 0.000 -4.650) 4.939 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 38.572 0.000 20.064) 43.478 1.835 ( 0.922 0.000 37.130) 37.142 2.427 ( -8.551 0.000 56.509) 57.152 2.527 ( 11.021 0.000 -23.998) 26.408 3.421 ( -6.571 0.000 1.970) 6.860 3.850 ( -10.610 0.000 -9.217) 14.054 3.945 ( -9.280 0.000 4.865) 10.478 4.058 ( 8.382 0.000 11.141) 13.942 4.506 ( 4.044 0.000 3.688) 5.473 4.511 ( -1.691 0.000 2.822) 3.290 4.714 ( -1.781 0.000 3.733) 4.136 4.815 ( 7.939 0.000 -8.212) 11.422 4.934 ( 1.926 0.000 -3.236) 3.766 4.950 ( -0.755 0.000 -6.998) 7.039 5.339 ( 4.146 0.000 6.633) 7.823 5.482 ( -5.656 0.000 3.885) 6.862 5.488 ( -8.323 0.000 -10.069) 13.064 5.544 ( 0.352 0.000 1.913) 1.945 5.558 ( 1.801 0.000 -1.926) 2.637 5.775 ( 1.339 0.000 -0.944) 1.639 6.002 ( 3.111 0.000 -3.558) 4.726 6.248 ( -2.019 0.000 -7.648) 7.910 6.251 ( -0.479 0.000 -8.260) 8.274 6.543 ( -10.327 0.000 -3.670) 10.960 6.641 ( -6.653 0.000 -1.292) 6.778 6.724 ( 7.594 0.000 -3.917) 8.545 6.786 ( 3.339 0.000 -4.583) 5.670 6.973 ( -7.547 0.000 0.004) 7.547 7.253 ( 4.265 0.000 -2.567) 4.978 7.296 ( -11.505 0.000 0.559) 11.519 7.468 ( 8.362 0.000 -3.134) 8.930 7.634 ( 18.937 0.000 -2.383) 19.086 8.221 ( 4.755 0.000 -1.640) 5.030 8.257 ( 8.279 0.000 1.951) 8.506 8.688 ( 2.327 0.000 -1.343) 2.687 8.764 ( 3.387 0.000 2.518) 4.221 8.950 ( -1.119 0.000 5.949) 6.053 9.268 ( -3.014 0.000 -7.710) 8.278 9.591 ( -15.014 0.000 -0.121) 15.014 9.887 ( -4.361 0.000 -5.051) 6.674 10.101 ( -8.429 0.000 2.333) 8.746 10.298 ( -2.798 0.000 -2.031) 3.457 11.991 ( -4.644 0.000 0.531) 4.674 12.020 ( -5.356 0.000 0.266) 5.363 12.385 ( 4.889 0.000 2.537) 5.508 12.488 ( 6.737 0.000 -2.108) 7.059 12.739 ( -4.009 0.000 3.834) 5.547 13.008 ( -1.462 0.000 -2.042) 2.512 13.251 ( -1.945 0.000 9.918) 10.107 13.753 ( 0.421 0.000 -6.308) 6.322 15.601 ( 2.079 0.000 -0.656) 2.180 15.621 ( 2.714 0.000 -1.798) 3.255 15.782 ( -1.362 0.000 0.773) 1.566 15.901 ( 2.315 0.000 -2.864) 3.683 16.153 ( 0.358 0.000 -0.495) 0.611 16.357 ( 2.238 0.000 -5.458) 5.899 16.557 ( 4.451 0.000 6.085) 7.539 16.621 ( -2.938 0.000 -1.362) 3.238 16.783 ( -1.157 0.000 2.573) 2.821 16.914 ( -2.532 0.000 -2.823) 3.792 17.100 ( -3.813 0.000 2.956) 4.824 17.393 ( 4.019 0.000 -2.216) 4.589 22.017 ( -2.762 0.000 1.228) 3.022 22.026 ( -3.213 0.000 3.384) 4.666 22.216 ( 0.990 0.000 0.229) 1.016 22.289 ( 5.456 0.000 -0.751) 5.507 22.537 ( 2.058 0.000 3.651) 4.191 22.577 ( -1.141 0.000 3.618) 3.794 22.629 ( -8.830 0.000 -1.386) 8.938 22.690 ( -2.434 0.000 -1.179) 2.704 23.036 ( -5.910 0.000 -0.798) 5.963 23.248 ( 4.004 0.000 3.066) 5.043 23.527 ( -0.492 0.000 0.905) 1.031 23.653 ( -3.596 0.000 8.046) 8.813 23.669 ( 1.901 0.000 -2.086) 2.823 24.042 ( 5.113 0.000 1.745) 5.403 24.468 ( -2.538 0.000 -3.603) 4.408 25.183 ( 0.010 0.000 8.120) 8.120 25.255 ( 2.169 0.000 -4.963) 5.416 25.375 ( 0.093 0.000 -7.809) 7.810 26.096 ( 1.299 0.000 8.260) 8.362 26.139 ( 6.398 0.000 -9.927) 11.810 26.806 ( 1.226 0.000 15.523) 15.572 27.292 ( -1.782 0.000 -2.807) 3.325 27.506 ( 12.106 0.000 0.267) 12.109 27.555 ( 3.552 0.000 1.368) 3.806 27.696 ( 5.724 0.000 -12.422) 13.678 28.503 ( 4.611 0.000 -24.542) 24.971 28.794 ( -7.767 0.000 -0.043) 7.767 28.924 ( -3.977 0.000 -6.952) 8.010 29.062 ( 7.309 0.000 3.580) 8.139 29.248 ( 4.413 0.000 -1.437) 4.641 29.712 ( -10.108 0.000 -5.122) 11.331 29.862 ( 9.882 0.000 1.725) 10.032 29.936 ( -4.198 0.000 7.628) 8.707 30.270 ( 3.278 0.000 -1.481) 3.597 30.282 ( -7.305 0.000 -1.361) 7.430 30.500 ( 6.531 0.000 3.469) 7.395 30.879 ( 1.357 0.000 10.200) 10.290 31.422 ( -0.967 0.000 11.081) 11.123 31.424 ( -17.173 0.000 -6.492) 18.359 31.709 ( 1.398 0.000 -19.763) 19.813 32.960 ( -2.537 0.000 4.984) 5.592 33.022 ( -5.096 0.000 -1.181) 5.231 33.089 ( -6.546 0.000 15.878) 17.174 33.789 ( 3.567 0.000 -0.738) 3.642 34.688 ( -3.378 0.000 4.464) 5.598 34.864 ( -8.087 0.000 2.207) 8.383 34.900 ( 2.898 0.000 -0.336) 2.917 35.393 ( 3.204 0.000 -2.737) 4.214 36.476 ( 6.252 0.000 0.636) 6.284 36.602 ( 4.713 0.000 0.543) 4.744 37.635 ( -0.324 0.000 6.292) 6.300 37.896 ( 5.791 0.000 3.491) 6.762 38.115 ( 0.750 0.000 0.964) 1.221 38.320 ( -5.363 0.000 -2.409) 5.879 38.437 ( -0.394 0.000 -5.590) 5.604 38.531 ( 2.741 0.000 -5.202) 5.880 38.967 ( -6.114 0.000 -0.461) 6.131 39.050 ( -3.520 0.000 3.833) 5.204 39.466 ( 1.107 0.000 -0.928) 1.444 39.596 ( 0.278 0.000 -1.630) 1.654 49.227 ( -0.501 0.000 2.135) 2.193 49.365 ( -0.156 0.000 -2.929) 2.934 49.386 ( -1.386 0.000 2.643) 2.984 49.537 ( 1.311 0.000 -0.307) 1.347 86.517 ( -0.677 0.000 -1.795) 1.918 86.617 ( 0.872 0.000 -2.489) 2.637 86.876 ( 4.730 0.000 5.780) 7.469 87.629 ( 35.354 0.000 -13.134) 37.715 89.442 ( -2.631 0.000 -0.222) 2.640 89.511 ( 1.197 0.000 3.128) 3.349 89.609 ( -2.159 0.000 2.183) 3.071 89.766 ( -0.163 0.000 -2.923) 2.928 90.817 ( 3.988 0.000 3.725) 5.457 91.013 ( 1.664 0.000 -5.584) 5.826 91.113 ( -2.123 0.000 -12.096) 12.281 91.345 ( 6.485 0.000 -2.007) 6.789 92.194 ( 3.128 0.000 5.634) 6.444 92.206 ( -5.452 0.000 -1.231) 5.590 92.756 ( -9.049 0.000 5.923) 10.816 93.441 ( -6.687 0.000 -6.401) 9.257 95.344 ( -0.353 0.000 3.632) 3.650 95.721 ( 2.284 0.000 -6.369) 6.766 96.090 ( -2.461 0.000 16.738) 16.918 96.250 ( -2.329 0.000 7.588) 7.938 96.818 ( -5.743 0.000 -3.840) 6.908 96.864 ( -3.105 0.000 -1.364) 3.391 97.112 ( 4.231 0.000 -4.248) 5.996 97.159 ( -0.265 0.000 -5.412) 5.419 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 1.604 0.000 30.534) 30.577 2.426 ( 10.701 0.000 33.113) 34.799 2.567 ( 7.971 0.000 27.390) 28.527 2.727 ( 20.986 0.000 -22.771) 30.967 3.293 ( -11.654 0.000 29.612) 31.823 3.743 ( 6.313 0.000 -24.180) 24.990 3.751 ( -12.980 0.000 12.106) 17.749 4.335 ( 13.030 0.000 2.899) 13.349 4.474 ( -1.539 0.000 -0.332) 1.575 4.523 ( -4.077 0.000 1.517) 4.350 4.700 ( -2.521 0.000 9.255) 9.592 4.821 ( -4.209 0.000 -10.598) 11.404 4.944 ( 0.077 0.000 -4.637) 4.638 4.955 ( 4.260 0.000 -5.717) 7.129 5.267 ( -5.225 0.000 -11.306) 12.455 5.350 ( -3.868 0.000 5.254) 6.524 5.428 ( -3.381 0.000 10.397) 10.933 5.577 ( -0.555 0.000 5.625) 5.652 5.635 ( 5.960 0.000 -0.102) 5.961 5.839 ( 4.163 0.000 2.244) 4.729 5.998 ( 1.423 0.000 -18.342) 18.397 6.201 ( -1.440 0.000 -8.111) 8.238 6.219 ( 0.322 0.000 -1.405) 1.442 6.384 ( -3.025 0.000 -1.370) 3.321 6.448 ( -10.240 0.000 -1.059) 10.295 6.706 ( -6.392 0.000 3.668) 7.370 6.868 ( 6.033 0.000 -0.099) 6.033 6.983 ( 7.236 0.000 -10.084) 12.412 7.123 ( -7.410 0.000 1.836) 7.634 7.355 ( 5.855 0.000 3.150) 6.649 7.668 ( 15.807 0.000 -5.553) 16.754 8.007 ( 22.939 0.000 -3.930) 23.273 8.252 ( 0.676 0.000 -6.256) 6.293 8.346 ( 1.573 0.000 -6.693) 6.875 8.772 ( 6.316 0.000 4.128) 7.546 8.819 ( -0.299 0.000 1.581) 1.609 8.930 ( -4.035 0.000 6.970) 8.054 9.160 ( -3.735 0.000 -7.461) 8.344 9.229 ( -23.592 0.000 2.276) 23.701 9.734 ( -10.276 0.000 -1.967) 10.462 9.923 ( -9.642 0.000 -0.760) 9.672 10.206 ( -5.101 0.000 -4.967) 7.120 11.919 ( -2.908 0.000 0.399) 2.935 11.943 ( -3.187 0.000 0.880) 3.306 12.460 ( 1.691 0.000 1.870) 2.522 12.564 ( 1.280 0.000 -1.283) 1.813 12.699 ( -0.280 0.000 0.240) 0.369 12.959 ( -2.417 0.000 -2.336) 3.361 13.270 ( -1.214 0.000 9.696) 9.771 13.734 ( 0.814 0.000 -5.817) 5.874 15.622 ( 0.260 0.000 -0.942) 0.978 15.678 ( 4.299 0.000 -2.953) 5.215 15.790 ( 1.563 0.000 2.311) 2.790 15.919 ( 1.047 0.000 -2.752) 2.944 16.160 ( 0.648 0.000 -0.797) 1.027 16.389 ( 3.339 0.000 -3.671) 4.962 16.571 ( -1.524 0.000 -1.662) 2.255 16.651 ( 1.590 0.000 2.936) 3.339 16.779 ( -0.004 0.000 7.168) 7.168 16.870 ( -0.772 0.000 -3.269) 3.359 17.042 ( -3.574 0.000 1.203) 3.771 17.438 ( 1.913 0.000 -2.668) 3.283 21.986 ( -0.683 0.000 0.449) 0.818 22.002 ( -1.156 0.000 3.737) 3.912 22.240 ( 0.769 0.000 1.463) 1.653 22.390 ( 4.347 0.000 -1.085) 4.481 22.460 ( -7.282 0.000 0.869) 7.333 22.519 ( -3.545 0.000 2.934) 4.602 22.624 ( -4.181 0.000 -0.391) 4.199 22.625 ( 2.292 0.000 2.372) 3.298 22.944 ( -3.362 0.000 0.557) 3.408 23.294 ( 0.053 0.000 0.042) 0.068 23.561 ( 2.537 0.000 5.055) 5.656 23.652 ( -1.336 0.000 7.703) 7.818 23.693 ( 1.923 0.000 -2.313) 3.008 24.108 ( 0.799 0.000 1.392) 1.605 24.412 ( -1.036 0.000 -4.457) 4.576 25.222 ( -0.165 0.000 10.730) 10.731 25.252 ( 0.782 0.000 -7.113) 7.156 25.391 ( 4.115 0.000 -2.760) 4.955 26.154 ( 0.412 0.000 7.801) 7.812 26.171 ( 1.481 0.000 -11.120) 11.218 26.973 ( 11.178 0.000 11.572) 16.089 27.278 ( 1.650 0.000 -4.363) 4.665 27.660 ( 6.050 0.000 1.857) 6.328 27.774 ( 9.541 0.000 -12.247) 15.525 27.848 ( 22.103 0.000 5.963) 22.893 28.367 ( -9.745 0.000 -17.210) 19.777 28.612 ( -9.559 0.000 -5.516) 11.036 28.813 ( -3.750 0.000 -6.325) 7.353 29.161 ( 0.502 0.000 -7.791) 7.807 29.244 ( -4.067 0.000 -0.663) 4.121 29.557 ( -2.258 0.000 -0.351) 2.285 29.918 ( -2.124 0.000 7.305) 7.607 29.966 ( 0.827 0.000 -1.667) 1.861 30.146 ( -5.059 0.000 1.265) 5.215 30.291 ( -1.013 0.000 -1.080) 1.480 30.621 ( 3.505 0.000 4.783) 5.930 30.941 ( -0.108 0.000 10.494) 10.495 31.138 ( -9.771 0.000 -1.428) 9.875 31.422 ( -4.832 0.000 11.412) 12.393 31.674 ( 5.930 0.000 -23.005) 23.757 32.785 ( -12.379 0.000 5.374) 13.495 32.926 ( -3.740 0.000 -3.604) 5.194 33.185 ( 3.288 0.000 14.110) 14.488 33.842 ( 2.468 0.000 -1.122) 2.711 34.589 ( -7.505 0.000 0.907) 7.559 34.789 ( -2.456 0.000 7.798) 8.176 34.925 ( 0.373 0.000 -3.219) 3.240 35.423 ( 1.579 0.000 -2.117) 2.641 36.598 ( 6.530 0.000 -1.163) 6.633 36.708 ( 5.419 0.000 1.935) 5.754 37.701 ( 4.459 0.000 4.432) 6.287 38.022 ( 5.375 0.000 4.746) 7.171 38.089 ( -3.191 0.000 -1.267) 3.433 38.206 ( -6.395 0.000 0.641) 6.427 38.347 ( -5.864 0.000 -3.739) 6.955 38.569 ( 3.311 0.000 -3.978) 5.175 38.933 ( 3.166 0.000 -3.665) 4.843 38.960 ( -7.507 0.000 4.346) 8.674 39.504 ( 2.987 0.000 -1.246) 3.237 39.578 ( -1.523 0.000 -0.726) 1.687 49.225 ( -0.684 0.000 1.894) 2.014 49.353 ( 0.321 0.000 -2.756) 2.774 49.396 ( 0.856 0.000 2.430) 2.576 49.552 ( 0.450 0.000 -0.253) 0.516 86.516 ( 1.363 0.000 -2.543) 2.885 86.614 ( 0.616 0.000 -3.347) 3.404 87.060 ( 9.754 0.000 10.401) 14.259 88.168 ( 29.889 0.000 -16.545) 34.163 89.391 ( -2.451 0.000 -0.357) 2.477 89.534 ( -0.680 0.000 3.484) 3.550 89.577 ( -2.142 0.000 1.908) 2.868 89.746 ( -0.168 0.000 -3.213) 3.218 90.752 ( -7.646 0.000 -8.445) 11.392 91.011 ( -2.037 0.000 -14.255) 14.400 91.089 ( 5.573 0.000 -0.466) 5.592 91.425 ( 2.885 0.000 -1.092) 3.085 92.079 ( -6.246 0.000 -2.721) 6.813 92.263 ( 1.420 0.000 0.235) 1.439 92.644 ( -5.628 0.000 10.764) 12.147 93.323 ( -5.297 0.000 4.946) 7.247 95.359 ( 0.650 0.000 0.961) 1.160 95.741 ( 2.996 0.000 -6.107) 6.802 96.121 ( -1.729 0.000 12.693) 12.811 96.231 ( -3.441 0.000 7.390) 8.152 96.676 ( -7.526 0.000 0.090) 7.526 96.759 ( -4.847 0.000 -6.340) 7.981 97.155 ( 1.617 0.000 -4.231) 4.529 97.203 ( 5.507 0.000 -0.304) 5.515 ======================= Grid point 129 (59/125) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -6.698 0.000 26.882) 27.703 2.440 ( -18.315 0.000 37.997) 42.181 2.806 ( -0.971 0.000 13.185) 13.221 3.018 ( 19.561 0.000 -19.038) 27.296 3.380 ( 0.674 0.000 35.989) 35.995 3.646 ( -4.169 0.000 14.981) 15.550 3.796 ( 10.187 0.000 -23.769) 25.860 4.337 ( -6.087 0.000 -5.978) 8.531 4.436 ( -1.436 0.000 0.148) 1.444 4.552 ( 2.466 0.000 -3.503) 4.284 4.688 ( -3.398 0.000 -8.462) 9.119 4.734 ( -0.404 0.000 13.348) 13.354 4.902 ( 0.202 0.000 0.061) 0.211 4.931 ( -0.948 0.000 -5.473) 5.554 5.273 ( 7.038 0.000 -6.560) 9.622 5.342 ( -6.468 0.000 12.575) 14.140 5.434 ( 3.327 0.000 6.748) 7.523 5.531 ( -6.050 0.000 4.850) 7.754 5.735 ( 4.157 0.000 -3.116) 5.195 5.905 ( -1.777 0.000 -16.223) 16.320 5.905 ( 0.509 0.000 4.130) 4.162 6.090 ( -5.816 0.000 -10.023) 11.588 6.252 ( 6.495 0.000 -4.368) 7.827 6.261 ( -9.483 0.000 -2.040) 9.700 6.435 ( 7.838 0.000 -3.465) 8.570 6.714 ( 5.849 0.000 2.772) 6.473 6.937 ( -1.694 0.000 -2.036) 2.649 7.046 ( 5.051 0.000 -9.671) 10.911 7.082 ( 2.521 0.000 8.706) 9.063 7.467 ( 4.566 0.000 3.348) 5.662 7.975 ( 17.975 0.000 -3.212) 18.259 8.169 ( -5.985 0.000 -7.612) 9.683 8.266 ( -5.121 0.000 -10.212) 11.424 8.421 ( 21.847 0.000 -4.137) 22.235 8.709 ( -9.464 0.000 -7.188) 11.885 8.722 ( -21.779 0.000 -1.828) 21.855 8.900 ( -4.969 0.000 9.858) 11.040 8.991 ( 7.345 0.000 7.692) 10.635 9.121 ( 2.277 0.000 -1.017) 2.494 9.524 ( -9.997 0.000 -1.330) 10.085 9.794 ( -3.362 0.000 -1.287) 3.600 10.082 ( -4.780 0.000 -7.494) 8.888 11.897 ( 0.306 0.000 0.459) 0.552 11.906 ( -1.425 0.000 0.885) 1.677 12.460 ( -2.274 0.000 1.355) 2.648 12.545 ( -1.898 0.000 1.412) 2.366 12.719 ( 1.939 0.000 -3.112) 3.666 12.909 ( -1.367 0.000 -3.242) 3.519 13.295 ( -0.695 0.000 9.085) 9.111 13.732 ( 1.732 0.000 -5.278) 5.555 15.608 ( -1.059 0.000 -0.683) 1.260 15.739 ( 3.800 0.000 -3.993) 5.512 15.844 ( 2.437 0.000 2.874) 3.768 15.914 ( -0.389 0.000 -2.102) 2.137 16.169 ( 0.761 0.000 -0.376) 0.849 16.418 ( 0.770 0.000 -3.156) 3.249 16.574 ( 3.465 0.000 -1.149) 3.650 16.619 ( -4.387 0.000 0.664) 4.437 16.853 ( 0.249 0.000 -2.549) 2.561 16.870 ( 3.759 0.000 9.632) 10.339 16.978 ( -3.349 0.000 -0.463) 3.381 17.436 ( -0.551 0.000 -3.674) 3.715 22.003 ( 2.298 0.000 0.805) 2.435 22.012 ( -0.193 0.000 4.371) 4.375 22.235 ( -2.631 0.000 1.706) 3.135 22.302 ( -6.143 0.000 -0.031) 6.143 22.486 ( -0.216 0.000 1.761) 1.775 22.512 ( 4.759 0.000 -0.959) 4.855 22.547 ( -3.229 0.000 1.340) 3.496 22.642 ( -1.534 0.000 0.773) 1.717 22.923 ( -0.054 0.000 2.728) 2.729 23.265 ( -2.081 0.000 -2.491) 3.245 23.635 ( 1.457 0.000 2.387) 2.797 23.657 ( -2.359 0.000 13.339) 13.546 23.723 ( 2.486 0.000 -2.206) 3.324 24.087 ( -3.138 0.000 0.378) 3.161 24.404 ( 2.591 0.000 -4.479) 5.175 25.226 ( 0.238 0.000 -7.844) 7.848 25.288 ( 1.593 0.000 12.807) 12.906 25.475 ( 5.536 0.000 -2.278) 5.986 26.110 ( -2.782 0.000 -5.801) 6.434 26.168 ( -2.726 0.000 6.691) 7.225 27.298 ( 18.249 0.000 3.369) 18.558 27.301 ( 3.119 0.000 -5.636) 6.441 27.752 ( 3.146 0.000 2.305) 3.900 27.958 ( 15.001 0.000 -9.173) 17.583 28.022 ( -19.145 0.000 -6.181) 20.118 28.314 ( 19.804 0.000 9.713) 22.058 28.390 ( -7.584 0.000 -10.739) 13.147 28.733 ( -1.880 0.000 -7.690) 7.917 29.000 ( -8.650 0.000 -17.630) 19.638 29.118 ( -8.385 0.000 0.679) 8.412 29.608 ( 3.420 0.000 4.327) 5.516 29.895 ( -1.634 0.000 4.901) 5.166 29.899 ( -5.671 0.000 -5.121) 7.641 30.175 ( 4.007 0.000 7.258) 8.291 30.205 ( -7.464 0.000 -0.033) 7.464 30.646 ( -1.774 0.000 0.702) 1.908 30.971 ( -1.016 0.000 7.914) 7.979 31.084 ( 1.939 0.000 4.611) 5.002 31.364 ( -6.066 0.000 9.932) 11.638 31.713 ( 9.284 0.000 -22.196) 24.060 32.619 ( -7.251 0.000 3.467) 8.037 32.852 ( -2.083 0.000 -5.371) 5.761 33.291 ( 0.951 0.000 13.814) 13.847 33.870 ( 1.329 0.000 -1.780) 2.221 34.490 ( -3.447 0.000 2.978) 4.555 34.813 ( 0.194 0.000 9.652) 9.654 34.887 ( -1.968 0.000 -4.999) 5.373 35.435 ( 1.062 0.000 -3.538) 3.694 36.689 ( 3.535 0.000 -0.748) 3.613 36.795 ( 2.604 0.000 2.033) 3.304 37.816 ( 5.084 0.000 3.228) 6.022 38.014 ( -3.350 0.000 -0.436) 3.378 38.076 ( -6.308 0.000 0.176) 6.310 38.134 ( 1.264 0.000 9.704) 9.786 38.240 ( -2.204 0.000 -6.409) 6.777 38.580 ( -1.372 0.000 -4.375) 4.585 38.858 ( -4.041 0.000 3.174) 5.138 39.018 ( 7.334 0.000 -4.392) 8.548 39.538 ( -2.506 0.000 -0.271) 2.521 39.548 ( 2.168 0.000 -0.995) 2.385 49.220 ( -0.717 0.000 1.549) 1.707 49.353 ( 0.948 0.000 -2.600) 2.767 49.431 ( 1.608 0.000 2.495) 2.968 49.550 ( -0.470 0.000 -0.515) 0.698 86.535 ( 1.708 0.000 -2.605) 3.115 86.603 ( -0.167 0.000 -3.842) 3.846 87.278 ( 5.887 0.000 15.570) 16.645 88.569 ( 22.044 0.000 -16.074) 27.282 89.359 ( -0.568 0.000 -0.354) 0.670 89.506 ( -3.898 0.000 1.445) 4.157 89.556 ( -0.874 0.000 1.937) 2.126 89.737 ( 0.898 0.000 -4.548) 4.636 90.518 ( -11.438 0.000 -13.419) 17.632 90.917 ( -0.474 0.000 -14.829) 14.837 91.151 ( -0.194 0.000 4.235) 4.240 91.443 ( -0.299 0.000 -0.652) 0.717 91.991 ( -1.115 0.000 -3.044) 3.242 92.226 ( -2.302 0.000 -7.991) 8.316 92.679 ( 1.105 0.000 17.769) 17.804 93.296 ( -1.442 0.000 9.395) 9.505 95.374 ( 0.945 0.000 -0.791) 1.233 95.770 ( 3.231 0.000 -7.016) 7.725 96.136 ( -1.856 0.000 6.949) 7.192 96.196 ( -3.779 0.000 6.776) 7.758 96.575 ( -4.252 0.000 5.157) 6.684 96.658 ( -2.638 0.000 -5.960) 6.518 97.159 ( 0.412 0.000 -3.146) 3.173 97.287 ( 3.565 0.000 -0.655) 3.625 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -17.386 0.000 28.030) 32.985 2.174 ( -26.630 0.000 20.485) 33.597 2.643 ( -24.114 0.000 28.264) 37.152 3.232 ( 10.492 0.000 -12.452) 16.283 3.548 ( 2.705 0.000 25.914) 26.055 3.686 ( -0.701 0.000 8.633) 8.661 3.853 ( 5.582 0.000 -11.313) 12.615 4.189 ( -4.550 0.000 -1.804) 4.894 4.491 ( 5.012 0.000 -5.147) 7.185 4.534 ( -0.826 0.000 -1.420) 1.642 4.723 ( -6.682 0.000 7.547) 10.080 4.726 ( 8.742 0.000 -2.913) 9.215 4.947 ( 2.485 0.000 -2.853) 3.784 4.948 ( 7.895 0.000 -3.664) 8.704 5.270 ( -4.925 0.000 12.256) 13.209 5.377 ( 5.942 0.000 -3.184) 6.742 5.397 ( -8.093 0.000 9.734) 12.659 5.587 ( 3.333 0.000 5.771) 6.664 5.705 ( -6.107 0.000 -2.013) 6.430 5.840 ( 3.285 0.000 -9.957) 10.484 5.842 ( -8.408 0.000 -6.623) 10.703 5.997 ( 1.839 0.000 -3.683) 4.117 6.086 ( -8.086 0.000 -1.608) 8.245 6.400 ( 11.101 0.000 -7.578) 13.441 6.614 ( 14.284 0.000 -8.059) 16.401 6.831 ( -6.833 0.000 -2.561) 7.297 6.853 ( 6.775 0.000 -5.817) 8.930 7.107 ( 5.956 0.000 -3.455) 6.886 7.194 ( 1.966 0.000 10.217) 10.404 7.556 ( 2.963 0.000 5.390) 6.150 7.968 ( -11.179 0.000 -4.844) 12.183 8.065 ( -14.887 0.000 -6.054) 16.071 8.108 ( -6.668 0.000 -6.855) 9.563 8.413 ( -13.994 0.000 -11.490) 18.107 8.468 ( 4.442 0.000 -1.339) 4.639 8.731 ( 7.408 0.000 1.558) 7.570 8.882 ( -0.674 0.000 6.531) 6.565 9.208 ( 10.320 0.000 8.095) 13.116 9.273 ( 16.095 0.000 -1.600) 16.174 9.396 ( -2.572 0.000 -4.971) 5.597 9.788 ( 2.604 0.000 0.804) 2.726 9.989 ( -0.335 0.000 -7.947) 7.954 11.899 ( 0.486 0.000 0.589) 0.763 11.926 ( 2.305 0.000 0.500) 2.359 12.405 ( -3.982 0.000 1.546) 4.272 12.526 ( -1.106 0.000 1.152) 1.598 12.731 ( 0.712 0.000 -1.108) 1.317 12.887 ( 0.977 0.000 -3.773) 3.897 13.328 ( -0.113 0.000 7.660) 7.660 13.746 ( 2.326 0.000 -5.203) 5.699 15.583 ( -1.223 0.000 -0.418) 1.293 15.768 ( 0.952 0.000 -3.809) 3.926 15.887 ( -1.203 0.000 -2.116) 2.433 15.888 ( 0.786 0.000 1.919) 2.074 16.192 ( 1.648 0.000 1.248) 2.067 16.398 ( -0.264 0.000 -4.729) 4.736 16.526 ( -5.723 0.000 0.531) 5.748 16.676 ( 6.969 0.000 -0.351) 6.978 16.854 ( 0.608 0.000 -0.046) 0.610 16.885 ( -3.721 0.000 -1.368) 3.964 17.006 ( 3.628 0.000 8.860) 9.574 17.389 ( -2.161 0.000 -4.963) 5.414 22.023 ( -0.665 0.000 3.636) 3.696 22.068 ( 2.978 0.000 2.915) 4.167 22.177 ( -2.554 0.000 -0.071) 2.555 22.219 ( -3.576 0.000 2.266) 4.234 22.495 ( -0.890 0.000 1.803) 2.011 22.514 ( 0.383 0.000 1.465) 1.514 22.589 ( -2.792 0.000 0.004) 2.792 22.614 ( 5.037 0.000 -0.943) 5.124 22.959 ( 2.171 0.000 3.893) 4.457 23.207 ( -2.752 0.000 -3.241) 4.252 23.608 ( -3.225 0.000 2.662) 4.182 23.707 ( -1.225 0.000 14.056) 14.110 23.756 ( 1.641 0.000 -1.897) 2.508 24.012 ( -4.589 0.000 -0.595) 4.627 24.458 ( 4.798 0.000 -3.861) 6.159 25.195 ( 0.874 0.000 -9.223) 9.264 25.390 ( 2.659 0.000 11.411) 11.717 25.547 ( 3.444 0.000 -4.296) 5.507 26.048 ( -1.990 0.000 0.312) 2.015 26.117 ( -5.717 0.000 5.638) 8.029 27.333 ( 3.308 0.000 -6.409) 7.213 27.409 ( -14.101 0.000 -6.151) 15.385 27.815 ( 2.503 0.000 2.870) 3.808 27.867 ( 11.088 0.000 1.769) 11.228 28.106 ( -11.545 0.000 -8.320) 14.231 28.159 ( 7.116 0.000 -3.663) 8.003 28.680 ( 1.823 0.000 -5.886) 6.162 28.741 ( -2.072 0.000 -7.199) 7.491 28.773 ( 11.303 0.000 -0.529) 11.316 28.981 ( -5.879 0.000 -6.885) 9.053 29.667 ( 1.289 0.000 4.493) 4.674 29.731 ( -8.520 0.000 -5.816) 10.316 29.969 ( 5.891 0.000 8.862) 10.642 30.068 ( -6.187 0.000 -0.335) 6.196 30.250 ( -0.093 0.000 3.906) 3.908 30.587 ( -3.986 0.000 -2.596) 4.757 30.987 ( -0.404 0.000 4.307) 4.326 31.197 ( 6.377 0.000 9.423) 11.378 31.314 ( -3.713 0.000 7.762) 8.605 31.790 ( 8.820 0.000 -18.446) 20.446 32.559 ( -0.956 0.000 2.412) 2.595 32.816 ( 1.466 0.000 -4.310) 4.553 33.345 ( -1.813 0.000 13.279) 13.403 33.872 ( -0.407 0.000 -1.959) 2.001 34.492 ( 1.332 0.000 5.005) 5.179 34.824 ( -1.831 0.000 -5.306) 5.613 34.877 ( 1.774 0.000 9.635) 9.797 35.425 ( -0.027 0.000 -5.636) 5.636 36.708 ( -1.456 0.000 -0.464) 1.528 36.811 ( -1.705 0.000 0.720) 1.851 37.850 ( -2.900 0.000 3.418) 4.482 37.945 ( -7.299 0.000 0.988) 7.365 38.024 ( 2.890 0.000 3.126) 4.257 38.200 ( 1.719 0.000 4.543) 4.857 38.221 ( 2.595 0.000 -2.651) 3.709 38.479 ( -5.515 0.000 -4.560) 7.156 38.859 ( 2.542 0.000 -0.317) 2.562 39.136 ( 6.586 0.000 -2.427) 7.019 39.491 ( -1.965 0.000 -0.812) 2.126 39.569 ( 0.343 0.000 -0.431) 0.551 49.214 ( -0.656 0.000 1.413) 1.558 49.363 ( 1.495 0.000 -2.537) 2.944 49.475 ( 1.843 0.000 2.433) 3.052 49.533 ( -1.005 0.000 -0.904) 1.352 86.549 ( 0.989 0.000 -2.244) 2.452 86.573 ( -1.055 0.000 -3.648) 3.797 87.373 ( -4.419 0.000 16.687) 17.262 88.796 ( 9.882 0.000 -25.838) 27.663 89.378 ( 2.631 0.000 0.621) 2.703 89.392 ( -7.736 0.000 -3.497) 8.489 89.565 ( 0.670 0.000 2.283) 2.380 89.716 ( -0.363 0.000 -7.383) 7.392 90.273 ( -8.576 0.000 -2.121) 8.834 90.868 ( 2.650 0.000 -13.683) 13.937 91.128 ( -4.613 0.000 7.437) 8.752 91.414 ( -2.185 0.000 -1.310) 2.548 92.015 ( 4.584 0.000 -2.198) 5.084 92.152 ( -1.044 0.000 -8.311) 8.376 92.797 ( 2.016 0.000 17.470) 17.586 93.351 ( 2.889 0.000 8.213) 8.706 95.386 ( 0.822 0.000 -1.537) 1.743 95.786 ( 2.324 0.000 -8.894) 9.192 96.112 ( -3.118 0.000 3.050) 4.361 96.166 ( -2.473 0.000 6.546) 6.998 96.583 ( 1.435 0.000 9.777) 9.882 96.618 ( 0.604 0.000 -2.994) 3.054 97.136 ( -1.591 0.000 -1.831) 2.426 97.322 ( 0.923 0.000 -2.408) 2.579 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -41.375 0.000 5.512) 41.741 1.810 ( -19.400 0.000 33.481) 38.695 2.394 ( -20.692 0.000 49.916) 54.035 3.175 ( -11.545 0.000 -10.824) 15.825 3.630 ( 1.452 0.000 -10.299) 10.401 3.735 ( 6.978 0.000 -1.904) 7.234 4.000 ( 7.257 0.000 23.369) 24.470 4.184 ( -2.175 0.000 10.724) 10.943 4.523 ( -1.575 0.000 2.464) 2.925 4.577 ( 7.021 0.000 -4.652) 8.422 4.590 ( -4.895 0.000 0.641) 4.937 4.753 ( -2.071 0.000 -8.952) 9.188 4.981 ( 1.174 0.000 0.153) 1.184 5.169 ( 5.403 0.000 -0.961) 5.488 5.209 ( -6.605 0.000 5.870) 8.836 5.385 ( 1.537 0.000 9.808) 9.928 5.453 ( 4.261 0.000 -1.645) 4.568 5.575 ( -2.913 0.000 1.772) 3.409 5.601 ( -0.571 0.000 -1.738) 1.830 5.665 ( -1.596 0.000 -8.434) 8.584 5.919 ( 3.931 0.000 3.488) 5.256 5.938 ( -5.492 0.000 -1.818) 5.785 6.084 ( 6.895 0.000 -1.505) 7.057 6.539 ( 6.645 0.000 -14.889) 16.304 6.677 ( -1.160 0.000 -8.088) 8.171 6.868 ( 0.383 0.000 -10.795) 10.802 6.871 ( 11.643 0.000 -5.159) 12.735 7.214 ( 2.852 0.000 0.584) 2.911 7.214 ( -1.645 0.000 5.423) 5.668 7.606 ( -0.956 0.000 0.184) 0.973 7.694 ( -18.656 0.000 -2.174) 18.782 7.786 ( -6.381 0.000 2.012) 6.691 7.947 ( -5.038 0.000 -3.685) 6.242 8.102 ( -13.375 0.000 -8.265) 15.722 8.595 ( 4.813 0.000 1.698) 5.103 8.780 ( -1.556 0.000 3.616) 3.936 8.923 ( 1.210 0.000 2.159) 2.474 9.357 ( 0.856 0.000 -6.745) 6.799 9.424 ( 9.706 0.000 6.357) 11.603 9.617 ( 19.436 0.000 -5.274) 20.138 9.887 ( 6.973 0.000 3.299) 7.714 10.032 ( 8.343 0.000 -4.714) 9.582 11.939 ( 3.824 0.000 0.402) 3.845 11.976 ( 2.788 0.000 0.289) 2.803 12.340 ( -3.835 0.000 2.272) 4.458 12.498 ( -2.595 0.000 0.159) 2.600 12.747 ( 0.745 0.000 2.671) 2.773 12.914 ( 3.700 0.000 -3.548) 5.126 13.353 ( -0.921 0.000 5.647) 5.721 13.765 ( 2.287 0.000 -5.512) 5.967 15.562 ( -0.767 0.000 -0.455) 0.891 15.730 ( -3.377 0.000 -1.780) 3.817 15.862 ( -0.037 0.000 -3.657) 3.657 15.890 ( -1.077 0.000 0.675) 1.271 16.232 ( 0.985 0.000 2.305) 2.506 16.377 ( 0.855 0.000 -6.381) 6.438 16.427 ( -4.788 0.000 0.870) 4.867 16.771 ( 2.415 0.000 -2.789) 3.690 16.813 ( -2.847 0.000 -1.436) 3.189 16.903 ( 4.398 0.000 4.859) 6.553 17.103 ( 2.317 0.000 7.914) 8.247 17.322 ( -1.809 0.000 -6.144) 6.405 22.038 ( 1.522 0.000 2.357) 2.806 22.075 ( -2.453 0.000 2.807) 3.727 22.177 ( -3.162 0.000 4.387) 5.408 22.217 ( 5.061 0.000 1.390) 5.249 22.447 ( -5.349 0.000 -1.224) 5.487 22.533 ( 3.605 0.000 3.271) 4.868 22.598 ( 0.891 0.000 2.426) 2.584 22.697 ( 4.721 0.000 -1.671) 5.008 23.035 ( 3.970 0.000 3.689) 5.420 23.137 ( -3.076 0.000 -2.821) 4.174 23.569 ( -1.890 0.000 1.899) 2.679 23.738 ( -2.620 0.000 15.649) 15.867 23.751 ( -1.263 0.000 -2.310) 2.633 23.928 ( -3.621 0.000 -0.876) 3.726 24.525 ( 3.987 0.000 -3.309) 5.181 25.179 ( 2.448 0.000 -10.151) 10.442 25.444 ( -2.394 0.000 3.539) 4.272 25.555 ( 0.211 0.000 -6.326) 6.329 26.036 ( -5.192 0.000 7.113) 8.806 26.046 ( 0.530 0.000 3.399) 3.440 27.041 ( -19.338 0.000 -0.137) 19.338 27.365 ( 3.437 0.000 -5.845) 6.781 27.789 ( -12.099 0.000 -7.330) 14.147 27.831 ( -3.280 0.000 -1.598) 3.648 28.189 ( 0.404 0.000 5.423) 5.438 28.251 ( 20.427 0.000 -6.092) 21.316 28.554 ( -4.094 0.000 -13.494) 14.101 28.656 ( -13.992 0.000 -12.585) 18.819 28.877 ( 9.879 0.000 -10.533) 14.441 29.026 ( 5.111 0.000 10.512) 11.689 29.613 ( -1.992 0.000 0.212) 2.003 29.733 ( 3.996 0.000 4.776) 6.227 29.999 ( -1.052 0.000 1.297) 1.670 30.131 ( 2.672 0.000 11.676) 11.978 30.235 ( 1.125 0.000 0.760) 1.357 30.482 ( -5.307 0.000 -4.071) 6.689 30.969 ( -3.800 0.000 0.827) 3.889 31.298 ( -1.140 0.000 4.908) 5.039 31.415 ( 12.478 0.000 9.958) 15.964 31.850 ( 5.695 0.000 -14.000) 15.114 32.587 ( 2.199 0.000 2.362) 3.227 32.885 ( 6.906 0.000 -0.193) 6.908 33.355 ( -3.508 0.000 13.014) 13.479 33.832 ( -2.681 0.000 -2.639) 3.762 34.565 ( 3.352 0.000 5.587) 6.515 34.786 ( 0.335 0.000 -4.143) 4.156 34.958 ( 2.065 0.000 8.490) 8.738 35.379 ( -1.636 0.000 -7.311) 7.492 36.628 ( -6.997 0.000 0.221) 7.001 36.742 ( -5.296 0.000 -1.523) 5.511 37.807 ( -4.461 0.000 8.961) 10.010 37.832 ( -4.869 0.000 -0.277) 4.877 38.045 ( -2.868 0.000 2.526) 3.822 38.256 ( 5.517 0.000 -6.689) 8.671 38.294 ( 3.305 0.000 7.773) 8.446 38.415 ( 2.338 0.000 -6.149) 6.578 38.919 ( 4.057 0.000 -1.691) 4.395 39.211 ( 1.381 0.000 1.224) 1.846 39.477 ( 1.846 0.000 -2.924) 3.458 39.558 ( -1.417 0.000 0.271) 1.443 49.211 ( -0.427 0.000 1.517) 1.576 49.381 ( 1.636 0.000 -2.644) 3.109 49.509 ( -0.875 0.000 -1.107) 1.411 49.515 ( 1.207 0.000 1.375) 1.830 86.541 ( -0.399 0.000 -3.022) 3.048 86.551 ( 0.329 0.000 -1.555) 1.590 87.274 ( -13.003 0.000 13.264) 18.574 88.442 ( -30.425 0.000 -49.243) 57.884 89.333 ( 2.748 0.000 2.581) 3.770 89.443 ( 3.094 0.000 1.582) 3.474 89.597 ( 1.301 0.000 2.722) 3.017 89.692 ( 1.497 0.000 -3.426) 3.739 90.236 ( 1.471 0.000 11.549) 11.642 90.898 ( 6.862 0.000 -10.631) 12.653 91.077 ( -4.623 0.000 9.133) 10.236 91.359 ( -2.529 0.000 -2.905) 3.851 92.113 ( 0.266 0.000 -5.804) 5.810 92.115 ( 6.284 0.000 -0.341) 6.293 92.895 ( 0.055 0.000 14.925) 14.925 93.468 ( 7.273 0.000 0.317) 7.280 95.387 ( -0.082 0.000 -1.062) 1.065 95.770 ( 0.871 0.000 -9.808) 9.846 96.066 ( -3.783 0.000 6.174) 7.241 96.174 ( -0.164 0.000 6.790) 6.792 96.649 ( 3.298 0.000 0.304) 3.312 96.711 ( 7.670 0.000 7.765) 10.914 97.095 ( -2.060 0.000 0.709) 2.179 97.299 ( -1.524 0.000 -4.728) 4.967 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -30.873 0.000 19.101) 36.304 1.668 ( -13.686 0.000 39.618) 41.916 2.321 ( -15.092 0.000 56.522) 58.502 2.844 ( -14.622 0.000 -15.457) 21.277 3.579 ( 0.874 0.000 -17.114) 17.136 3.836 ( 2.699 0.000 -2.509) 3.685 4.153 ( -5.083 0.000 14.790) 15.639 4.207 ( 2.291 0.000 20.777) 20.903 4.498 ( -1.672 0.000 5.615) 5.859 4.529 ( -13.098 0.000 -4.253) 13.772 4.630 ( 5.897 0.000 -1.547) 6.096 4.746 ( 8.081 0.000 -9.446) 12.431 4.961 ( -3.078 0.000 0.826) 3.187 5.014 ( -11.032 0.000 -2.928) 11.414 5.148 ( -2.168 0.000 7.341) 7.654 5.483 ( 4.756 0.000 2.547) 5.395 5.503 ( 3.811 0.000 -0.557) 3.851 5.583 ( -0.269 0.000 -3.780) 3.789 5.598 ( 0.681 0.000 -1.367) 1.527 5.853 ( 3.616 0.000 -1.535) 3.928 5.910 ( 17.172 0.000 0.606) 17.183 5.962 ( -1.669 0.000 7.249) 7.439 6.248 ( 11.731 0.000 -5.314) 12.878 6.455 ( -3.554 0.000 -12.870) 13.351 6.716 ( 4.771 0.000 -13.807) 14.608 6.835 ( 3.549 0.000 -8.713) 9.408 6.954 ( 0.351 0.000 -3.948) 3.963 7.179 ( -9.968 0.000 -0.402) 9.976 7.198 ( 0.150 0.000 4.179) 4.182 7.401 ( -6.820 0.000 -9.197) 11.450 7.534 ( -7.088 0.000 -1.944) 7.350 7.717 ( -5.573 0.000 -4.450) 7.132 7.939 ( 0.352 0.000 6.601) 6.610 7.945 ( 3.294 0.000 6.713) 7.477 8.660 ( 1.453 0.000 2.492) 2.885 8.745 ( -2.729 0.000 1.001) 2.907 8.912 ( -2.474 0.000 3.132) 3.992 9.349 ( 1.165 0.000 -6.071) 6.182 9.628 ( 9.606 0.000 2.159) 9.846 9.856 ( 9.759 0.000 -7.623) 12.383 10.062 ( 8.251 0.000 5.456) 9.892 10.202 ( 9.586 0.000 -1.400) 9.688 12.030 ( 2.803 0.000 0.140) 2.806 12.037 ( 5.997 0.000 -0.074) 5.997 12.290 ( -2.695 0.000 2.903) 3.961 12.434 ( -4.006 0.000 0.115) 4.008 12.775 ( 0.085 0.000 4.685) 4.686 12.976 ( 4.166 0.000 -3.010) 5.140 13.331 ( -4.309 0.000 5.007) 6.606 13.775 ( 1.716 0.000 -5.947) 6.190 15.554 ( 0.272 0.000 -0.609) 0.667 15.653 ( -3.621 0.000 -0.915) 3.735 15.851 ( 0.748 0.000 -3.336) 3.418 15.861 ( -2.119 0.000 0.197) 2.128 16.215 ( -3.195 0.000 0.177) 3.199 16.367 ( 1.266 0.000 -7.266) 7.376 16.399 ( 0.697 0.000 4.002) 4.062 16.753 ( -2.339 0.000 -1.641) 2.857 16.777 ( -0.608 0.000 -0.199) 0.640 17.000 ( 2.217 0.000 2.235) 3.148 17.155 ( -0.318 0.000 6.017) 6.025 17.286 ( 1.403 0.000 -5.595) 5.768 22.056 ( -0.697 0.000 2.128) 2.239 22.110 ( 5.243 0.000 -0.289) 5.251 22.136 ( -3.677 0.000 4.729) 5.991 22.274 ( -2.298 0.000 2.279) 3.236 22.390 ( 2.014 0.000 -0.401) 2.054 22.610 ( -1.019 0.000 3.274) 3.429 22.643 ( 6.370 0.000 0.778) 6.417 22.762 ( 2.637 0.000 -1.996) 3.307 23.089 ( -0.162 0.000 -0.768) 0.785 23.119 ( 2.831 0.000 2.171) 3.567 23.556 ( -0.663 0.000 1.702) 1.827 23.696 ( -2.690 0.000 -2.936) 3.982 23.763 ( -2.580 0.000 14.135) 14.368 23.890 ( 0.118 0.000 -0.120) 0.168 24.561 ( 1.155 0.000 -3.375) 3.567 25.191 ( 3.694 0.000 -9.276) 9.985 25.304 ( -11.546 0.000 -1.086) 11.597 25.508 ( -1.464 0.000 -7.497) 7.639 26.017 ( -1.384 0.000 8.888) 8.995 26.075 ( 0.910 0.000 0.455) 1.018 26.775 ( -10.418 0.000 8.022) 13.149 27.405 ( 2.956 0.000 -3.453) 4.545 27.558 ( -8.901 0.000 -6.768) 11.182 27.684 ( -8.894 0.000 -5.917) 10.682 28.017 ( -22.038 0.000 -12.149) 25.164 28.452 ( 5.613 0.000 -21.370) 22.095 28.545 ( 15.099 0.000 5.290) 15.999 28.588 ( 13.618 0.000 -1.190) 13.670 29.051 ( 8.024 0.000 -1.448) 8.153 29.072 ( -3.969 0.000 9.320) 10.130 29.614 ( 0.785 0.000 0.705) 1.055 29.837 ( 3.405 0.000 6.175) 7.051 30.055 ( 5.514 0.000 3.892) 6.749 30.100 ( -5.111 0.000 1.737) 5.398 30.359 ( 4.490 0.000 8.361) 9.490 30.384 ( -2.592 0.000 -3.052) 4.004 30.863 ( -6.214 0.000 -0.045) 6.214 31.322 ( 1.128 0.000 4.633) 4.768 31.684 ( 11.527 0.000 -4.664) 12.434 31.869 ( 2.240 0.000 -8.553) 8.841 32.661 ( 4.615 0.000 5.613) 7.267 33.028 ( 6.358 0.000 2.784) 6.941 33.340 ( -5.074 0.000 12.815) 13.783 33.763 ( -2.511 0.000 -3.386) 4.215 34.647 ( 2.371 0.000 5.430) 5.925 34.800 ( 2.394 0.000 -1.601) 2.880 35.015 ( -0.156 0.000 6.332) 6.333 35.312 ( -0.951 0.000 -6.583) 6.651 36.479 ( -8.836 0.000 3.847) 9.637 36.627 ( -5.204 0.000 -2.800) 5.910 37.747 ( -7.864 0.000 11.994) 14.342 37.774 ( -1.159 0.000 0.124) 1.166 38.011 ( 0.435 0.000 0.656) 0.787 38.337 ( 6.606 0.000 -7.639) 10.100 38.390 ( 3.356 0.000 2.907) 4.440 38.467 ( 4.953 0.000 -6.246) 7.971 38.987 ( 3.892 0.000 -0.681) 3.951 39.205 ( -2.476 0.000 1.618) 2.958 39.523 ( -2.522 0.000 0.660) 2.607 39.524 ( 4.253 0.000 -3.566) 5.550 49.213 ( -0.087 0.000 1.763) 1.765 49.392 ( 0.812 0.000 -2.937) 3.047 49.498 ( 0.298 0.000 -0.905) 0.953 49.512 ( -2.361 0.000 -0.392) 2.393 86.540 ( 1.820 0.000 -2.376) 2.993 86.559 ( 1.464 0.000 -0.307) 1.496 87.063 ( -14.195 0.000 8.531) 16.561 87.512 ( -40.359 0.000 -26.453) 48.255 89.411 ( 3.292 0.000 1.924) 3.813 89.486 ( 0.744 0.000 1.068) 1.302 89.627 ( 0.322 0.000 2.770) 2.789 89.731 ( 3.352 0.000 -2.344) 4.090 90.393 ( 8.664 0.000 12.401) 15.128 91.016 ( 9.929 0.000 -6.720) 11.989 91.050 ( -2.839 0.000 8.209) 8.686 91.297 ( -2.168 0.000 -5.170) 5.606 92.105 ( 0.762 0.000 -1.929) 2.074 92.220 ( 4.285 0.000 1.313) 4.482 92.928 ( -3.308 0.000 11.496) 11.962 93.588 ( 7.801 0.000 -13.876) 15.919 95.370 ( -1.945 0.000 1.823) 2.666 95.738 ( 0.669 0.000 -8.910) 8.935 96.044 ( -3.498 0.000 13.639) 14.080 96.212 ( 0.441 0.000 6.993) 7.007 96.734 ( 4.870 0.000 3.000) 5.720 96.875 ( 6.423 0.000 -4.928) 8.095 97.112 ( 3.944 0.000 4.324) 5.853 97.227 ( -3.056 0.000 -7.217) 7.837 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 21.961 15.930 26.932) 38.228 1.904 ( -3.468 19.883 34.618) 40.072 2.575 ( -9.908 20.995 40.970) 47.091 2.656 ( -4.200 9.843 -11.610) 15.790 3.536 ( -3.014 2.257 -10.608) 11.257 3.817 ( 2.663 -4.131 1.704) 5.201 4.103 ( -5.589 2.120 7.971) 9.963 4.224 ( -11.270 0.438 -0.151) 11.279 4.392 ( 1.894 2.205 7.855) 8.376 4.520 ( 0.919 0.056 2.760) 2.909 4.631 ( -2.659 -5.845 -2.030) 6.735 4.752 ( 5.555 -1.674 0.027) 5.802 4.814 ( 0.316 -3.543 0.531) 3.596 5.066 ( -0.522 -2.280 -6.913) 7.298 5.160 ( 2.462 -6.448 3.082) 7.559 5.352 ( 2.928 -0.287 -1.823) 3.461 5.397 ( -0.882 -8.541 0.377) 8.594 5.528 ( -0.354 -4.223 1.299) 4.432 5.744 ( -2.260 2.303 -3.475) 4.743 5.778 ( 1.913 -0.124 -7.071) 7.327 6.082 ( -1.781 4.839 3.859) 6.441 6.216 ( 3.551 -2.282 -3.838) 5.705 6.372 ( 9.824 -4.494 -5.536) 12.139 6.400 ( -2.458 3.168 -11.283) 11.974 6.543 ( -2.886 -9.516 -0.438) 9.953 6.826 ( -6.845 -1.956 -2.254) 7.467 6.909 ( 2.256 -1.223 -5.935) 6.466 7.018 ( 2.113 -16.464 6.970) 18.003 7.091 ( -2.453 4.510 0.130) 5.135 7.276 ( 5.568 0.973 -5.753) 8.065 7.426 ( 2.779 -3.768 -4.653) 6.601 7.582 ( -10.945 5.947 -2.020) 12.619 8.111 ( 6.782 1.888 4.717) 8.474 8.182 ( 7.358 6.615 3.196) 10.398 8.414 ( 2.627 -15.382 1.211) 15.651 8.605 ( -7.995 -10.966 -2.150) 13.740 9.172 ( 1.758 15.407 1.145) 15.549 9.380 ( 0.514 0.982 -3.815) 3.973 9.726 ( -2.237 7.027 2.349) 7.739 10.066 ( 2.894 1.535 -7.356) 8.052 10.216 ( 2.211 4.154 1.447) 4.923 10.351 ( 4.214 7.776 -4.710) 10.020 12.066 ( -6.103 0.971 0.299) 6.187 12.095 ( 4.310 -0.299 0.231) 4.327 12.354 ( 1.400 5.252 2.031) 5.802 12.433 ( 1.406 3.520 -0.354) 3.807 12.799 ( -1.960 2.231 3.899) 4.901 12.985 ( 0.673 -3.381 -1.268) 3.673 13.279 ( -2.572 1.627 7.982) 8.542 13.784 ( 0.373 0.724 -7.275) 7.321 15.552 ( 0.877 -1.474 -0.547) 1.800 15.595 ( -0.252 -1.138 -0.736) 1.378 15.818 ( -1.918 -0.098 -0.442) 1.970 15.862 ( 2.074 -0.462 -2.648) 3.395 16.145 ( -1.009 -1.963 0.062) 2.208 16.364 ( 1.012 0.855 -6.098) 6.240 16.442 ( 2.992 -1.784 5.355) 6.388 16.671 ( -4.936 -2.196 -0.539) 5.429 16.760 ( -0.181 -1.984 -0.236) 2.006 16.933 ( -0.471 -3.038 -0.837) 3.186 17.169 ( -2.627 1.390 2.183) 3.688 17.329 ( 4.240 0.450 -2.293) 4.841 21.949 ( -1.786 -6.018 3.786) 7.331 22.133 ( 2.119 -2.875 -0.167) 3.576 22.177 ( -2.846 2.874 1.572) 4.339 22.250 ( 0.312 1.173 -0.334) 1.259 22.421 ( 4.257 -4.382 3.779) 7.183 22.567 ( -1.595 -0.660 3.319) 3.741 22.709 ( -2.516 -3.517 -2.498) 4.994 22.741 ( -0.618 2.084 0.355) 2.202 23.092 ( -0.889 -3.125 1.670) 3.653 23.135 ( 3.175 -1.531 0.017) 3.525 23.536 ( -0.840 -0.866 1.266) 1.749 23.625 ( -3.593 -2.205 2.582) 4.943 23.759 ( -3.587 2.965 3.925) 6.089 23.943 ( 3.980 0.311 1.769) 4.367 24.534 ( -2.033 0.483 -3.183) 3.807 25.116 ( -3.782 -3.952 5.419) 7.700 25.185 ( 3.720 -3.945 -5.278) 7.567 25.468 ( -1.937 2.531 -9.389) 9.915 26.022 ( 2.847 -3.863 -2.897) 5.605 26.105 ( 0.709 2.681 3.834) 4.732 26.753 ( -0.866 1.862 13.926) 14.077 27.363 ( -2.889 -1.459 -2.396) 4.027 27.393 ( -3.595 -2.014 -4.010) 5.749 27.607 ( -0.778 5.637 2.108) 6.068 27.687 ( -1.457 -1.301 -12.225) 12.380 28.336 ( 8.697 -14.186 -4.227) 17.168 28.633 ( 3.869 -12.865 -1.576) 13.527 28.697 ( 8.411 -8.797 -11.713) 16.891 28.917 ( -1.469 -7.680 7.836) 11.070 29.391 ( 6.783 15.349 -1.875) 16.886 29.726 ( -0.842 0.329 1.766) 1.984 29.767 ( -0.906 0.892 -0.064) 1.273 29.960 ( -1.626 -2.827 3.417) 4.724 30.279 ( -3.746 -5.751 8.656) 11.047 30.349 ( 0.779 9.208 -1.015) 9.297 30.530 ( 6.254 6.243 -2.038) 9.069 30.890 ( -3.191 8.619 2.345) 9.486 31.367 ( 2.755 -0.760 3.089) 4.208 31.758 ( -6.348 4.451 -5.096) 9.278 31.847 ( -2.290 4.631 -10.007) 11.262 32.875 ( 7.220 3.876 9.503) 12.548 33.133 ( 0.489 4.577 5.321) 7.035 33.235 ( -8.593 0.949 7.220) 11.264 33.940 ( 1.722 10.780 -14.063) 17.802 34.644 ( -0.090 -4.282 6.802) 8.038 34.863 ( -2.942 0.767 1.643) 3.456 34.962 ( -2.963 -0.516 3.706) 4.773 35.358 ( 5.137 1.951 -6.427) 8.456 36.437 ( -1.783 3.521 6.278) 7.416 36.730 ( 0.923 14.346 -7.227) 16.090 37.632 ( -5.802 -2.695 9.458) 11.419 37.816 ( 2.545 1.831 1.781) 3.606 38.079 ( 3.060 1.434 2.106) 3.981 38.302 ( 1.018 -6.348 2.151) 6.780 38.395 ( 4.615 -1.939 -7.679) 9.166 38.592 ( -0.709 3.932 -10.819) 11.533 38.979 ( 2.547 -5.030 2.829) 6.308 39.143 ( -6.099 0.583 -2.735) 6.709 39.481 ( -2.103 0.517 -0.170) 2.172 39.588 ( 2.297 0.850 -2.862) 3.767 49.202 ( 0.025 -1.825 1.787) 2.554 49.329 ( -1.170 -3.642 -1.460) 4.094 49.473 ( -2.292 2.263 0.542) 3.266 49.529 ( 0.840 1.568 -0.536) 1.858 86.562 ( -1.700 0.217 -0.431) 1.767 86.614 ( 2.827 2.473 -2.598) 4.567 86.878 ( -8.066 -0.393 4.383) 9.188 87.123 ( 11.541 -2.291 -3.194) 12.192 89.448 ( 0.918 -1.684 1.321) 2.329 89.471 ( -0.345 -1.190 0.651) 1.400 89.631 ( -1.114 0.189 2.655) 2.885 89.756 ( 2.629 -1.622 -1.944) 3.650 90.451 ( 7.303 -14.279 16.803) 23.229 90.750 ( -4.137 -17.066 8.325) 19.434 91.137 ( 4.962 -3.982 -14.619) 15.944 91.418 ( 3.880 9.514 -5.899) 11.847 92.090 ( 2.785 -3.111 0.735) 4.240 92.423 ( -0.319 12.572 -3.070) 12.945 92.861 ( -8.124 -1.418 7.029) 10.836 93.393 ( 0.799 -13.546 -10.282) 17.025 95.341 ( -3.062 -0.092 6.800) 7.458 95.747 ( 1.105 2.538 -4.663) 5.423 96.090 ( -1.695 3.097 13.998) 14.436 96.220 ( 1.176 -2.013 6.348) 6.763 96.796 ( -6.027 -5.061 0.807) 7.911 96.852 ( 3.386 0.249 7.810) 8.516 96.939 ( 1.207 3.252 -2.310) 4.167 97.903 ( 2.176 36.397 -30.515) 47.546 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 31.271 8.093 21.291) 38.687 2.052 ( 3.947 18.074 29.486) 34.810 2.605 ( 9.342 9.700 -15.010) 20.165 2.658 ( -5.593 21.063 40.212) 45.738 3.416 ( -8.689 -0.338 3.290) 9.297 3.824 ( -2.554 -0.720 -12.185) 12.471 4.020 ( -10.407 4.590 6.258) 12.982 4.105 ( 5.055 4.674 11.263) 13.200 4.457 ( 1.302 -3.006 3.649) 4.904 4.560 ( 0.417 -3.405 0.840) 3.532 4.596 ( 1.517 -2.910 -1.033) 3.440 4.837 ( 2.586 -3.492 -2.911) 5.230 4.875 ( 5.245 -1.479 -1.209) 5.582 4.980 ( -3.342 -1.807 -6.569) 7.588 5.258 ( 5.295 -8.293 4.134) 10.673 5.345 ( -2.573 -4.576 -7.295) 8.988 5.408 ( 0.368 -4.850 1.033) 4.972 5.490 ( -4.336 -2.719 1.686) 5.388 5.682 ( 0.149 6.258 -0.336) 6.269 5.788 ( 1.775 -0.508 -3.214) 3.707 6.053 ( -2.429 2.616 -3.440) 4.958 6.190 ( -1.580 -3.914 -6.001) 7.336 6.252 ( -5.806 -7.248 -5.923) 11.015 6.426 ( -1.207 -2.543 0.912) 2.959 6.587 ( 1.001 -3.525 -2.292) 4.323 6.748 ( 1.637 0.751 -2.291) 2.914 6.851 ( -3.796 -2.396 -4.507) 6.362 6.983 ( -3.409 5.370 2.630) 6.882 7.253 ( 5.708 -9.130 2.982) 11.173 7.284 ( 1.849 -1.729 -4.816) 5.441 7.385 ( 0.247 7.316 -0.734) 7.357 7.628 ( 14.107 -2.392 -5.264) 15.246 8.212 ( 3.519 -0.878 -0.901) 3.737 8.318 ( 4.517 4.008 -1.084) 6.135 8.496 ( 1.522 -15.285 1.512) 15.435 8.528 ( 5.096 -12.973 2.045) 14.087 9.165 ( -2.591 10.468 0.846) 10.818 9.267 ( -11.002 -3.636 -3.411) 12.079 9.619 ( -9.391 10.294 0.485) 13.943 9.980 ( -9.433 -0.499 -5.374) 10.868 10.183 ( -5.380 7.237 3.042) 9.517 10.395 ( 2.641 11.734 -6.982) 13.907 11.901 ( -7.872 -2.806 0.508) 8.372 12.184 ( 1.037 9.320 0.047) 9.378 12.370 ( 1.263 -0.875 2.166) 2.656 12.514 ( 6.060 2.577 -1.563) 6.768 12.769 ( -2.686 2.811 3.376) 5.149 12.976 ( -1.052 -2.926 -0.757) 3.200 13.281 ( -1.744 2.877 8.462) 9.106 13.748 ( -0.472 -0.679 -6.734) 6.784 15.579 ( 2.382 -1.788 -0.822) 3.090 15.617 ( 2.656 -0.572 -0.833) 2.842 15.779 ( -1.562 -0.349 0.041) 1.601 15.893 ( 2.228 -0.699 -3.200) 3.961 16.145 ( 0.596 -0.967 0.201) 1.154 16.361 ( 1.611 0.469 -4.703) 4.994 16.529 ( 3.236 -2.578 5.144) 6.601 16.585 ( -3.330 -3.570 -0.381) 4.897 16.751 ( -1.265 -3.348 0.921) 3.696 16.915 ( -0.286 0.711 -2.122) 2.256 17.115 ( -3.747 1.349 1.397) 4.220 17.401 ( 4.141 0.702 -2.117) 4.704 21.926 ( -2.455 -4.836 3.181) 6.287 22.104 ( -2.722 3.452 1.087) 4.528 22.179 ( 1.731 -2.848 -0.476) 3.367 22.309 ( 4.789 0.965 0.659) 4.929 22.454 ( -3.489 -6.707 4.166) 8.632 22.561 ( -1.537 -0.846 0.165) 1.762 22.642 ( -1.831 0.851 1.684) 2.629 22.713 ( -2.154 1.706 0.196) 2.754 23.021 ( -5.255 -1.885 -0.078) 5.583 23.232 ( 4.772 -1.491 1.508) 5.221 23.517 ( -0.865 -0.704 1.092) 1.561 23.598 ( -1.063 -3.004 5.305) 6.189 23.724 ( -1.346 3.145 1.312) 3.664 24.034 ( 4.054 -0.856 2.267) 4.723 24.476 ( -2.357 0.885 -3.528) 4.335 25.103 ( -1.536 -6.273 5.401) 8.420 25.220 ( 1.653 -3.988 -2.041) 4.775 25.421 ( 1.720 3.682 -7.713) 8.718 26.083 ( 5.779 -2.904 -5.730) 8.640 26.149 ( 2.351 2.056 1.502) 3.466 26.832 ( 1.613 2.694 14.636) 14.969 27.321 ( -0.029 2.801 -2.017) 3.452 27.412 ( 6.856 -4.743 -0.880) 8.383 27.677 ( 5.598 -1.688 -12.095) 13.434 27.686 ( 7.602 8.588 2.940) 11.840 28.398 ( 0.874 -13.352 -12.902) 18.588 28.632 ( -0.885 -8.741 -7.734) 11.704 28.808 ( 9.153 -14.369 -6.918) 18.388 28.914 ( -3.695 -4.914 7.019) 9.331 29.458 ( -1.193 6.024 -4.972) 7.901 29.688 ( -3.126 1.333 -0.411) 3.422 29.772 ( 2.631 1.841 1.371) 3.492 29.937 ( -1.764 -0.942 4.366) 4.803 30.233 ( -4.914 -4.879 6.699) 9.634 30.358 ( 0.771 6.075 -2.224) 6.515 30.612 ( 3.990 5.434 -0.544) 6.763 30.874 ( -2.671 3.544 7.040) 8.322 31.400 ( -0.517 -0.815 -1.452) 1.744 31.537 ( -12.973 7.953 3.980) 15.728 31.782 ( 0.463 7.655 -12.600) 14.750 33.005 ( -5.556 4.209 4.519) 8.307 33.073 ( -3.545 1.435 14.144) 14.652 33.150 ( -0.870 7.922 -0.967) 8.028 33.901 ( 0.545 8.195 -8.582) 11.878 34.644 ( -3.841 -3.913 6.171) 8.255 34.779 ( -6.250 -5.068 3.900) 8.941 34.961 ( 1.901 3.550 -0.602) 4.072 35.425 ( 3.922 2.215 -4.451) 6.332 36.477 ( 3.706 1.795 3.594) 5.465 36.755 ( 3.881 12.420 -3.916) 13.588 37.612 ( -0.293 -2.309 6.868) 7.252 37.902 ( 4.697 0.577 4.455) 6.499 38.118 ( 0.161 0.247 0.873) 0.922 38.295 ( -3.244 -2.169 -1.433) 4.157 38.411 ( 0.509 -2.746 -5.623) 6.279 38.540 ( 0.974 0.669 -6.810) 6.912 38.956 ( -5.648 -1.071 0.822) 5.807 39.050 ( -2.576 -0.135 0.597) 2.648 39.453 ( -0.146 -1.149 -0.430) 1.235 39.597 ( -0.109 0.044 -1.921) 1.925 49.206 ( -0.593 -1.965 1.984) 2.855 49.306 ( -0.455 -3.223 -1.056) 3.422 49.446 ( -0.657 3.349 0.639) 3.472 49.550 ( 1.281 1.216 -0.308) 1.793 86.522 ( -0.879 0.468 -1.386) 1.706 86.635 ( 0.339 1.746 -2.478) 3.050 86.871 ( 4.978 -0.427 5.302) 7.285 87.571 ( 33.253 -5.755 -11.298) 35.589 89.422 ( -2.510 -1.767 -0.166) 3.075 89.497 ( 1.077 -1.339 2.505) 3.038 89.612 ( -2.145 0.249 2.298) 3.153 89.770 ( 0.304 0.036 -2.993) 3.009 90.607 ( -0.845 -16.126 3.908) 16.614 90.723 ( 0.403 -20.588 12.063) 23.865 91.151 ( 3.722 -0.811 -13.559) 14.084 91.465 ( 4.734 7.566 -10.759) 13.979 92.146 ( 0.970 -0.869 5.733) 5.879 92.374 ( -1.963 10.808 -4.866) 12.014 92.709 ( -10.806 -3.585 5.244) 12.535 93.347 ( -1.783 -7.187 -3.697) 8.276 95.320 ( -2.360 -1.409 6.225) 6.804 95.753 ( 1.603 2.536 -3.846) 4.877 96.123 ( -1.158 2.034 11.343) 11.582 96.272 ( 0.546 2.019 7.847) 8.121 96.668 ( -7.698 -5.093 3.125) 9.745 96.923 ( -1.806 2.880 -3.444) 4.839 96.966 ( 4.689 -0.255 4.680) 6.630 97.732 ( -4.523 32.344 -22.922) 39.900 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.108 14.477 25.637) 29.517 2.473 ( 19.903 3.628 20.404) 28.733 2.743 ( 0.426 15.324 16.016) 22.170 2.797 ( 13.393 9.840 -5.792) 17.600 3.273 ( -11.036 0.086 23.965) 26.384 3.752 ( 4.806 0.975 -22.972) 23.490 3.864 ( -8.142 9.029 14.431) 18.869 4.331 ( 8.751 0.665 6.202) 10.746 4.479 ( 1.512 -0.372 -0.035) 1.558 4.549 ( -2.682 -4.451 6.239) 8.120 4.609 ( -2.160 -5.133 -4.085) 6.907 4.749 ( -4.166 -3.753 -7.806) 9.611 4.957 ( 2.779 1.476 -3.931) 5.035 4.996 ( 4.721 2.133 -0.638) 5.220 5.185 ( -6.497 -5.481 -6.161) 10.498 5.350 ( 0.640 -2.254 3.093) 3.880 5.417 ( -2.038 -3.619 6.099) 7.379 5.445 ( 0.005 -3.668 1.282) 3.885 5.727 ( 2.978 4.785 0.381) 5.649 5.833 ( 2.976 -0.704 0.700) 3.137 5.965 ( -0.865 -4.660 -10.627) 11.636 6.127 ( -4.469 -6.156 -4.986) 9.095 6.156 ( 0.104 -3.216 -4.783) 5.765 6.422 ( -3.936 3.179 0.405) 5.075 6.509 ( -4.288 2.850 1.384) 5.332 6.737 ( -1.400 2.170 2.848) 3.844 6.841 ( 5.325 -3.421 -3.962) 7.467 6.996 ( 3.480 2.092 -5.656) 6.963 7.154 ( -7.008 3.537 -0.318) 7.856 7.357 ( 5.298 -1.850 1.322) 5.765 7.615 ( 16.411 -2.802 0.311) 16.652 7.906 ( 18.089 -8.176 -4.676) 20.395 8.216 ( -3.455 -4.309 -6.071) 8.207 8.323 ( 3.263 -5.150 -6.470) 8.890 8.610 ( 6.137 -8.723 1.360) 10.752 8.652 ( 4.015 -11.234 6.588) 13.628 8.974 ( -16.762 -5.953 -2.757) 18.000 9.110 ( -3.481 5.674 1.191) 6.762 9.405 ( -13.070 11.354 -2.002) 17.428 9.717 ( -15.002 -3.252 -3.990) 15.860 10.061 ( -9.301 11.444 3.822) 15.235 10.379 ( -0.385 15.267 -7.848) 17.170 11.816 ( -1.413 -2.608 0.584) 3.024 12.142 ( -4.843 11.704 0.155) 12.667 12.410 ( 1.530 -3.407 1.834) 4.161 12.602 ( 3.670 3.074 -2.164) 5.254 12.747 ( -0.813 4.044 1.554) 4.408 12.945 ( -1.657 -1.277 -1.420) 2.528 13.288 ( -1.707 1.748 8.220) 8.576 13.714 ( 0.119 -2.093 -5.793) 6.161 15.613 ( 0.984 -0.843 -0.978) 1.623 15.669 ( 3.624 -0.732 -2.075) 4.240 15.781 ( 1.616 -0.946 1.460) 2.374 15.907 ( 0.867 -1.065 -3.075) 3.368 16.158 ( 0.693 -0.367 -0.080) 0.788 16.381 ( 2.007 -0.903 -2.264) 3.158 16.518 ( -1.859 -4.616 -0.835) 5.046 16.625 ( 2.574 -2.449 2.824) 4.538 16.724 ( -2.046 -4.870 2.786) 5.972 16.916 ( 1.466 3.511 -0.987) 3.931 17.054 ( -3.227 1.242 -0.068) 3.459 17.446 ( 1.869 0.787 -2.861) 3.506 21.898 ( -1.678 -4.624 2.295) 5.428 22.084 ( -0.019 3.852 1.272) 4.057 22.212 ( 1.161 -2.490 1.168) 2.985 22.353 ( -6.805 -5.618 0.563) 8.842 22.413 ( 5.351 0.352 1.407) 5.544 22.503 ( -2.900 -2.826 -0.984) 4.167 22.628 ( -4.009 1.659 3.765) 5.745 22.703 ( 0.905 4.475 1.773) 4.897 22.939 ( -3.055 -0.508 0.665) 3.167 23.283 ( 0.586 -0.858 -1.725) 2.014 23.549 ( 2.615 -1.121 4.911) 5.676 23.620 ( -0.023 -2.429 6.437) 6.880 23.714 ( -0.248 1.301 0.138) 1.332 24.084 ( 0.100 -2.247 1.843) 2.908 24.424 ( -0.912 1.269 -4.151) 4.435 25.106 ( -0.514 -7.958 5.507) 9.691 25.225 ( -0.443 -4.300 0.122) 4.324 25.465 ( 5.686 5.612 -4.431) 9.136 26.138 ( 2.921 -3.062 -11.394) 12.154 26.190 ( 0.785 3.008 4.585) 5.540 26.972 ( 7.874 0.639 10.840) 13.414 27.334 ( 2.854 4.650 -4.129) 6.842 27.591 ( 10.498 -5.223 1.685) 11.846 27.751 ( 7.662 -1.354 -7.987) 11.151 27.934 ( 17.725 6.659 3.493) 19.254 28.249 ( -10.266 -11.670 -11.096) 19.097 28.544 ( -3.642 -4.497 -13.266) 14.473 28.825 ( -5.122 -0.421 0.959) 5.228 28.969 ( 6.657 -13.659 -1.239) 15.245 29.286 ( -11.015 -0.255 -10.291) 15.076 29.630 ( -3.260 4.037 0.061) 5.189 29.827 ( 1.269 -2.805 0.880) 3.202 29.966 ( 1.903 2.636 4.465) 5.523 30.163 ( -5.213 -2.803 5.448) 8.044 30.350 ( -0.597 2.061 -2.647) 3.407 30.673 ( -0.250 8.849 2.292) 9.145 30.829 ( -3.048 -6.094 8.921) 11.226 31.302 ( -6.763 10.719 1.467) 12.759 31.454 ( 0.307 1.315 1.559) 2.062 31.740 ( 0.285 8.184 -9.476) 12.525 32.809 ( -11.936 3.245 3.591) 12.880 33.047 ( -3.790 8.950 -1.624) 9.855 33.232 ( 4.230 4.273 9.615) 11.340 33.886 ( 1.147 4.077 -5.091) 6.622 34.546 ( -7.663 -3.596 4.194) 9.446 34.736 ( -1.733 -3.287 7.633) 8.489 34.991 ( 1.847 4.703 -3.420) 6.101 35.454 ( 1.403 2.484 -3.060) 4.184 36.590 ( 6.511 0.495 1.534) 6.708 36.813 ( 3.202 8.917 -0.962) 9.523 37.682 ( 4.556 -1.945 4.922) 6.984 37.991 ( 0.680 -2.390 5.358) 5.906 38.116 ( 1.104 1.809 -0.443) 2.165 38.181 ( -7.383 -2.535 -0.150) 7.807 38.343 ( -4.738 -0.247 -4.257) 6.374 38.577 ( 4.525 0.626 -4.249) 6.239 38.879 ( -3.711 -2.989 1.527) 5.004 39.002 ( -1.284 1.967 -1.428) 2.749 39.471 ( 1.832 -3.042 -0.478) 3.583 39.573 ( -1.438 -0.647 -1.334) 2.066 49.201 ( -0.853 -2.234 1.901) 3.055 49.302 ( 0.584 -3.120 -1.551) 3.533 49.451 ( 0.517 3.405 1.092) 3.613 49.567 ( 0.640 1.329 -0.367) 1.520 86.519 ( 1.172 0.324 -1.988) 2.330 86.628 ( 0.479 1.297 -3.026) 3.326 87.052 ( 9.609 -0.598 9.374) 13.438 88.095 ( 29.342 -7.533 -15.762) 34.149 89.375 ( -2.256 -1.528 -0.336) 2.745 89.516 ( -0.601 -1.578 2.722) 3.203 89.580 ( -2.213 0.109 2.118) 3.065 89.751 ( -0.324 0.325 -3.604) 3.633 90.479 ( -9.920 -19.248 -3.193) 21.888 90.825 ( 1.326 -17.922 9.435) 20.298 91.156 ( 4.190 3.353 -14.546) 15.505 91.486 ( 3.414 3.541 -11.493) 12.501 92.121 ( -5.864 4.350 1.807) 7.521 92.353 ( 0.921 7.652 -4.617) 8.984 92.570 ( -5.660 -5.919 10.610) 13.403 93.308 ( -2.222 -1.417 3.313) 4.234 95.313 ( -1.188 -2.849 4.790) 5.699 95.766 ( 1.406 1.804 -2.969) 3.748 96.150 ( -0.718 0.337 6.912) 6.957 96.306 ( -0.972 7.772 7.574) 10.895 96.561 ( -5.535 -4.462 5.107) 8.754 96.835 ( -5.103 4.004 -5.510) 8.510 97.057 ( 3.373 -1.425 2.103) 4.223 97.596 ( -0.726 25.970 -13.109) 29.100 ======================= Grid point 136 (66/125) ======================= q-point: ( 0.43 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -9.139 11.835 25.007) 29.137 2.648 ( -16.754 17.826 23.611) 33.999 2.791 ( 1.075 -0.575 14.446) 14.498 3.031 ( 17.497 1.822 -14.938) 23.078 3.316 ( 0.733 -0.284 31.348) 31.358 3.736 ( 4.637 -0.193 -19.745) 20.283 3.934 ( 3.940 16.353 13.098) 21.319 4.313 ( -8.670 -0.965 -4.039) 9.613 4.433 ( -3.433 -3.176 -0.243) 4.683 4.536 ( 1.110 -12.102 -2.056) 12.326 4.630 ( 4.137 5.094 -3.287) 7.339 4.718 ( 1.543 1.639 3.998) 4.588 4.924 ( -5.975 3.949 -2.190) 7.489 5.035 ( 3.804 4.754 0.864) 6.150 5.167 ( 4.493 -6.660 -4.457) 9.188 5.339 ( -5.786 -1.039 11.460) 12.879 5.430 ( -3.904 -8.500 2.339) 9.641 5.433 ( 3.563 -0.404 4.095) 5.443 5.759 ( 1.385 0.359 -7.606) 7.740 5.836 ( -0.991 0.786 -1.183) 1.732 5.979 ( -0.874 -2.703 -2.273) 3.639 6.044 ( 2.198 -4.078 -10.693) 11.653 6.134 ( -2.531 -0.170 -3.715) 4.499 6.348 ( 2.731 -2.911 2.122) 4.521 6.469 ( -0.904 8.371 -1.244) 8.511 6.795 ( 5.234 4.333 -2.237) 7.154 6.914 ( 0.731 -2.989 -3.354) 4.552 7.028 ( 2.515 -1.506 -3.173) 4.320 7.091 ( 1.846 2.437 3.639) 4.752 7.461 ( 4.984 -1.265 1.919) 5.489 7.929 ( 15.872 -4.670 0.512) 16.553 8.037 ( -8.846 -10.821 -7.074) 15.665 8.200 ( 10.176 -9.884 -1.541) 14.270 8.399 ( 5.346 -1.033 -6.448) 8.439 8.469 ( -17.547 -13.085 -0.653) 21.899 8.734 ( 1.055 -5.844 -2.595) 6.480 8.826 ( 2.614 -4.799 -0.107) 5.466 9.066 ( -5.671 7.633 4.282) 10.428 9.209 ( 0.389 6.512 -3.379) 7.347 9.442 ( -12.010 -6.883 -4.734) 14.630 9.919 ( -7.271 12.729 5.885) 15.796 10.322 ( -1.264 18.327 -8.605) 20.286 11.848 ( 4.140 -0.108 0.733) 4.206 12.031 ( -6.592 6.824 0.017) 9.488 12.442 ( 0.978 0.619 1.624) 1.994 12.616 ( -1.209 5.348 0.126) 5.484 12.747 ( 0.407 2.671 -1.764) 3.226 12.909 ( -0.942 0.118 -2.564) 2.735 13.299 ( -1.087 0.395 7.947) 8.031 13.703 ( 1.548 -2.916 -5.137) 6.106 15.606 ( -0.877 -0.172 -0.685) 1.126 15.725 ( 3.531 -1.241 -3.495) 5.121 15.835 ( 2.624 -0.922 2.244) 3.574 15.896 ( -0.746 -1.720 -2.291) 2.960 16.171 ( 0.815 0.115 0.212) 0.850 16.394 ( -0.024 -2.527 -1.403) 2.890 16.500 ( -0.688 -5.162 1.064) 5.315 16.639 ( 0.668 0.156 -3.054) 3.130 16.731 ( 0.255 -7.295 4.552) 8.603 16.963 ( 2.846 4.169 1.049) 5.155 16.997 ( -2.320 2.007 -0.154) 3.072 17.440 ( -0.787 0.496 -3.981) 4.088 21.895 ( 0.273 -5.344 2.490) 5.902 22.106 ( 1.135 3.533 1.408) 3.969 22.177 ( -5.997 -4.959 1.710) 7.967 22.282 ( -0.374 -1.525 -0.818) 1.770 22.459 ( -0.336 -1.984 1.038) 2.264 22.523 ( 4.163 -0.536 1.115) 4.343 22.561 ( -3.401 2.631 2.506) 4.977 22.704 ( -2.117 4.589 1.363) 5.235 22.923 ( 0.304 0.157 2.225) 2.252 23.255 ( -1.693 -0.828 -3.972) 4.396 23.612 ( 0.190 -2.145 2.231) 3.101 23.652 ( -0.602 -0.481 13.496) 13.518 23.723 ( 1.851 -0.049 -1.406) 2.325 24.060 ( -3.078 -2.582 0.857) 4.108 24.417 ( 2.320 1.282 -4.116) 4.896 25.136 ( 1.426 -7.494 1.055) 7.701 25.222 ( -0.622 -5.571 6.383) 8.495 25.563 ( 6.419 6.558 -4.047) 10.030 26.089 ( -2.170 -2.096 -7.920) 8.476 26.207 ( -1.682 3.519 3.826) 5.463 27.187 ( 9.472 -4.561 3.196) 10.988 27.398 ( 7.100 2.941 -5.760) 9.604 27.727 ( 2.101 -3.288 3.653) 5.345 27.909 ( 4.751 -3.769 -9.101) 10.936 27.977 ( -4.566 -2.988 -3.655) 6.568 28.327 ( 20.246 -0.008 5.248) 20.915 28.369 ( -8.857 -0.694 -10.023) 13.394 28.736 ( -4.236 0.270 -1.652) 4.555 28.986 ( -8.712 -10.883 0.163) 13.941 29.051 ( -2.609 3.520 -16.348) 16.925 29.605 ( 0.995 -0.736 0.507) 1.338 29.815 ( -2.655 -1.731 -0.853) 3.282 29.988 ( -0.926 3.693 2.743) 4.693 30.104 ( -5.068 -6.594 3.578) 9.053 30.314 ( -1.647 4.917 -0.428) 5.203 30.589 ( -6.084 -0.432 2.720) 6.678 30.953 ( 8.571 1.810 11.982) 14.842 31.212 ( -4.437 9.824 4.307) 11.609 31.486 ( 0.187 7.004 2.487) 7.435 31.712 ( 3.275 2.639 -13.112) 13.770 32.651 ( -6.080 4.456 2.526) 7.950 32.960 ( -3.822 7.460 -4.934) 9.726 33.331 ( 1.434 4.217 9.411) 10.412 33.894 ( 1.999 2.257 -4.152) 5.132 34.459 ( -3.879 -2.618 5.931) 7.555 34.759 ( -0.181 -1.927 8.293) 8.516 34.992 ( 0.254 6.740 -3.942) 7.812 35.457 ( 0.704 1.855 -3.789) 4.277 36.696 ( 3.476 0.667 0.437) 3.567 36.856 ( 1.753 5.942 0.651) 6.229 37.803 ( 5.311 -1.343 3.468) 6.484 37.951 ( -4.607 -4.345 1.486) 6.505 38.065 ( -6.038 -2.805 4.767) 8.189 38.174 ( 3.077 3.141 3.591) 5.677 38.238 ( -3.308 0.436 -6.030) 6.892 38.605 ( -0.822 2.544 -5.066) 5.728 38.815 ( -2.799 -3.881 3.562) 5.965 39.035 ( 5.787 1.325 -4.603) 7.512 39.491 ( -0.292 -3.763 0.189) 3.779 39.546 ( -0.192 -1.100 -1.455) 1.834 49.194 ( -0.819 -2.439 1.636) 3.049 49.311 ( 1.256 -3.013 -1.950) 3.802 49.470 ( 0.701 2.732 1.782) 3.337 49.570 ( 0.031 1.794 -0.702) 1.926 86.537 ( 1.567 0.352 -1.950) 2.526 86.617 ( -0.186 1.332 -3.536) 3.783 87.260 ( 5.738 -1.512 14.090) 15.289 88.485 ( 21.189 -8.871 -16.965) 28.557 89.346 ( -0.458 -1.223 -0.341) 1.350 89.491 ( -3.463 -1.460 0.757) 3.834 89.557 ( -1.107 -0.078 1.950) 2.243 89.729 ( -0.206 -1.196 -5.630) 5.760 90.250 ( -12.790 -19.070 -1.309) 22.999 90.833 ( -2.271 -11.915 0.569) 12.143 91.165 ( 2.905 2.321 -11.573) 12.156 91.493 ( 2.345 1.832 -8.610) 9.110 92.005 ( -5.726 2.482 -0.076) 6.242 92.308 ( -0.544 7.146 -9.296) 11.738 92.637 ( 3.229 -3.562 17.894) 18.529 93.299 ( -1.152 0.428 6.110) 6.232 95.320 ( -0.287 -3.388 3.819) 5.113 95.774 ( 0.751 0.582 -2.377) 2.560 96.159 ( -0.979 -0.952 3.967) 4.195 96.288 ( -4.042 8.823 3.159) 10.206 96.534 ( -0.567 -0.328 8.430) 8.455 96.721 ( -3.405 4.636 -5.125) 7.704 97.103 ( 0.827 -1.747 0.544) 2.008 97.571 ( 2.838 22.005 -8.317) 23.695 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -17.247 10.351 27.380) 33.974 2.267 ( -30.415 6.286 8.520) 32.205 2.809 ( -11.067 16.659 28.954) 35.190 3.233 ( 8.399 1.124 -10.341) 13.369 3.501 ( 3.617 -1.298 25.196) 25.487 3.738 ( 3.005 1.462 -12.681) 13.114 3.987 ( 0.499 10.407 3.662) 11.044 4.155 ( -3.611 -1.899 -0.202) 4.085 4.420 ( -1.140 -8.351 1.098) 8.500 4.580 ( -2.137 1.514 -8.814) 9.194 4.653 ( 6.655 -0.525 -1.896) 6.940 4.748 ( -2.760 0.588 6.434) 7.026 4.906 ( 6.613 3.275 -0.557) 7.400 5.078 ( 0.305 5.355 3.002) 6.147 5.253 ( 1.663 -4.472 2.408) 5.345 5.270 ( -2.075 -7.455 1.413) 7.867 5.387 ( -1.366 -4.243 7.559) 8.776 5.512 ( 1.135 0.785 5.597) 5.764 5.715 ( -4.208 -4.904 -4.485) 7.866 5.809 ( -3.850 4.626 -6.382) 8.772 5.868 ( -0.840 1.953 -5.306) 5.716 5.979 ( -3.905 -6.039 -2.340) 7.563 6.160 ( 4.336 8.456 -4.693) 10.598 6.486 ( 6.344 -0.146 -4.809) 7.962 6.545 ( 13.463 1.270 -0.373) 13.527 6.824 ( -6.689 -0.850 -2.680) 7.256 6.873 ( 5.178 0.261 -7.616) 9.213 7.035 ( -0.528 -4.732 -1.100) 4.887 7.209 ( 5.036 -0.730 3.710) 6.298 7.533 ( 0.368 -4.127 -0.779) 4.216 7.844 ( -7.334 -5.135 2.328) 9.251 7.940 ( -17.179 -9.960 -1.176) 19.892 8.241 ( -2.968 6.447 -5.802) 9.167 8.318 ( 2.292 -13.018 0.469) 13.227 8.400 ( -5.664 -7.741 -5.682) 11.148 8.661 ( 2.994 4.830 -6.541) 8.665 9.005 ( 10.017 -11.845 5.905) 16.598 9.043 ( 3.243 5.579 1.590) 6.646 9.250 ( -1.558 -8.829 -7.157) 11.472 9.394 ( 15.492 4.930 -2.027) 16.383 9.875 ( -0.534 11.765 6.075) 13.251 10.267 ( -0.196 19.299 -7.815) 20.822 11.907 ( -3.144 0.875 0.109) 3.266 11.973 ( 5.405 4.213 0.663) 6.885 12.444 ( -2.177 4.283 1.909) 5.170 12.586 ( -1.710 5.538 0.286) 5.803 12.737 ( -0.283 0.888 -1.223) 1.537 12.896 ( 0.981 0.804 -2.712) 2.994 13.318 ( -0.792 -0.898 6.837) 6.941 13.722 ( 2.963 -2.470 -4.978) 6.297 15.584 ( -1.072 0.137 -0.464) 1.177 15.755 ( 1.038 -1.231 -3.455) 3.812 15.853 ( -1.688 -2.704 -1.426) 3.493 15.888 ( 1.105 -0.593 0.794) 1.484 16.194 ( 1.274 0.100 1.525) 1.989 16.376 ( -0.455 -2.475 -3.144) 4.027 16.461 ( -4.015 -5.024 1.441) 6.590 16.687 ( 5.720 0.151 -2.176) 6.121 16.749 ( -0.359 -7.109 3.918) 8.126 16.925 ( -2.407 2.286 -4.678) 5.736 17.058 ( 3.436 3.658 6.681) 8.356 17.386 ( -2.516 -0.029 -5.168) 5.747 21.928 ( 1.660 -5.524 3.307) 6.649 22.074 ( -5.581 -5.732 2.309) 8.327 22.123 ( 0.810 0.582 -0.737) 1.240 22.282 ( -0.067 2.579 1.475) 2.972 22.477 ( -0.368 -0.845 2.960) 3.101 22.511 ( -0.916 -0.095 2.288) 2.466 22.616 ( 3.502 0.620 0.082) 3.558 22.656 ( -1.803 4.938 -0.050) 5.257 22.962 ( 2.347 0.416 3.544) 4.271 23.196 ( -2.387 -0.907 -4.568) 5.233 23.582 ( -3.409 -2.381 2.933) 5.089 23.707 ( -1.164 -0.048 13.938) 13.987 23.759 ( 2.187 0.344 -1.455) 2.649 23.991 ( -4.343 -2.042 -0.056) 4.800 24.465 ( 4.436 0.798 -3.694) 5.828 25.141 ( 1.016 -4.814 -6.634) 8.259 25.282 ( 1.390 -8.139 12.343) 14.850 25.639 ( 3.957 6.403 -6.141) 9.715 26.017 ( -2.407 -2.942 -3.377) 5.085 26.162 ( -4.537 4.047 3.400) 6.966 27.294 ( 3.024 -3.103 -4.181) 6.021 27.374 ( -13.643 -3.697 -3.492) 14.560 27.757 ( 8.323 -9.997 -1.953) 13.154 27.828 ( 1.274 0.841 0.366) 1.570 28.117 ( -11.429 1.200 -9.633) 14.996 28.166 ( 8.773 1.256 -0.150) 8.864 28.565 ( -5.389 -5.556 -2.258) 8.063 28.730 ( 7.793 -3.523 6.659) 10.839 28.834 ( -1.961 -6.175 -4.472) 7.872 28.978 ( 2.472 9.818 -15.125) 18.201 29.649 ( 2.310 -1.930 1.742) 3.478 29.718 ( -5.849 -0.234 -3.371) 6.755 29.997 ( -5.678 -8.496 1.777) 10.372 30.035 ( 4.635 4.567 5.523) 8.535 30.301 ( -0.846 6.268 1.337) 6.464 30.509 ( -4.397 -4.530 1.573) 6.507 31.124 ( 1.348 10.709 3.240) 11.269 31.265 ( 9.819 6.378 14.112) 18.337 31.424 ( -7.721 9.338 2.386) 12.350 31.765 ( 8.882 -1.944 -15.483) 17.956 32.622 ( 1.088 7.208 3.336) 8.016 32.879 ( -1.786 3.611 -4.568) 6.091 33.370 ( -1.527 3.688 8.600) 9.482 33.915 ( 2.180 2.953 -4.281) 5.639 34.460 ( 0.385 -2.922 7.109) 7.696 34.799 ( 0.893 0.382 5.757) 5.839 34.977 ( -0.263 7.051 -1.087) 7.139 35.444 ( 0.250 1.628 -5.718) 5.951 36.695 ( -3.812 -0.527 0.919) 3.957 36.886 ( 1.058 6.308 -0.918) 6.462 37.812 ( -4.579 -3.334 4.317) 7.122 37.946 ( -0.944 -0.077 1.144) 1.485 38.000 ( -1.324 -2.090 5.465) 5.999 38.191 ( 1.515 -1.360 -5.472) 5.838 38.240 ( 1.701 2.420 4.874) 5.702 38.509 ( -4.554 2.740 -4.484) 6.954 38.833 ( 2.758 -2.470 -0.396) 3.723 39.136 ( 6.265 -0.097 -3.043) 6.966 39.468 ( -1.295 -2.233 -0.176) 2.587 39.549 ( 0.542 -1.956 -1.038) 2.280 49.187 ( -0.611 -2.439 1.463) 2.909 49.328 ( 1.617 -2.985 -2.177) 4.033 49.487 ( 0.135 1.357 1.993) 2.415 49.566 ( 0.063 2.572 -0.905) 2.727 86.551 ( 0.660 0.405 -1.617) 1.793 86.589 ( -0.878 1.450 -3.375) 3.777 87.349 ( -4.171 -2.187 15.204) 15.917 88.665 ( 5.643 -13.986 -27.777) 31.607 89.363 ( 1.372 -1.351 0.105) 1.928 89.378 ( -6.272 -1.457 -3.208) 7.194 89.564 ( 0.745 -0.034 2.333) 2.449 89.670 ( -2.734 -5.078 -5.299) 7.832 90.080 ( -6.233 -11.906 11.422) 17.637 90.783 ( -1.804 -8.773 -2.800) 9.384 91.146 ( 0.555 0.301 -9.827) 9.847 91.479 ( -0.599 4.053 -5.135) 6.569 91.948 ( 0.216 -3.226 -1.501) 3.565 92.289 ( 3.029 9.978 -8.272) 13.311 92.787 ( 3.435 -1.441 17.420) 17.814 93.320 ( 0.646 -1.688 4.539) 4.885 95.337 ( 0.144 -2.813 3.848) 4.769 95.772 ( 0.217 -0.249 -2.131) 2.156 96.155 ( -1.172 -1.163 2.952) 3.382 96.201 ( -5.679 5.772 1.247) 8.193 96.586 ( 1.718 1.187 4.189) 4.681 96.701 ( 2.470 7.315 2.424) 8.092 97.093 ( -2.050 -1.560 0.307) 2.594 97.611 ( 5.849 23.517 -8.709) 25.751 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -39.154 5.280 7.882) 40.287 1.955 ( -15.478 14.759 29.988) 36.833 2.690 ( -17.083 26.026 39.355) 50.180 3.168 ( -9.580 0.035 -10.246) 14.027 3.680 ( 5.519 0.795 5.878) 8.102 3.710 ( 2.531 2.203 -11.104) 11.600 4.066 ( 2.404 2.479 9.788) 10.379 4.181 ( 1.680 0.769 9.852) 10.024 4.389 ( -2.000 -10.274 0.972) 10.512 4.526 ( 1.555 -3.095 -5.777) 6.736 4.650 ( -1.902 3.760 1.104) 4.356 4.750 ( -0.685 -1.768 -1.252) 2.273 5.037 ( 6.711 2.919 -4.923) 8.820 5.105 ( -7.328 -4.126 5.478) 10.037 5.155 ( -2.780 -1.667 2.493) 4.089 5.328 ( -1.021 -7.318 -0.210) 7.392 5.403 ( 1.144 -10.635 4.121) 11.463 5.561 ( -5.051 7.523 3.226) 9.619 5.635 ( -1.378 1.108 3.700) 4.101 5.683 ( 8.770 3.301 -4.021) 10.197 5.878 ( -2.571 -2.195 -4.411) 5.558 5.990 ( 6.835 2.128 -2.403) 7.551 6.201 ( 2.213 11.171 -1.090) 11.440 6.590 ( 7.471 -2.313 -11.742) 14.108 6.668 ( -5.465 1.885 -8.425) 10.218 6.797 ( 9.814 -4.480 -0.070) 10.788 6.902 ( 3.181 2.574 -10.477) 11.248 7.002 ( -3.366 -12.901 6.099) 14.662 7.236 ( -3.717 -5.574 -2.619) 7.193 7.488 ( -0.372 -8.328 1.552) 8.480 7.581 ( -16.982 -5.426 -6.245) 18.890 7.850 ( 0.391 3.359 9.757) 10.327 8.088 ( -6.206 8.642 -4.740) 11.648 8.125 ( -14.496 -0.124 -9.139) 17.136 8.378 ( 1.163 -13.541 3.020) 13.922 8.858 ( 11.605 3.648 -0.194) 12.167 8.966 ( -5.949 -4.447 -0.489) 7.444 9.181 ( 7.977 -1.814 -1.869) 8.391 9.418 ( 14.238 -5.087 3.262) 15.467 9.714 ( 19.728 5.461 -7.066) 21.655 9.940 ( 4.461 10.010 4.380) 11.802 10.255 ( 2.270 15.708 -4.841) 16.593 11.871 ( 0.719 -1.980 -0.156) 2.112 12.104 ( 7.033 7.475 1.009) 10.313 12.381 ( -5.395 3.970 2.530) 7.160 12.541 ( -3.215 3.733 -1.367) 5.113 12.751 ( 1.511 1.542 2.398) 3.227 12.919 ( 2.619 0.111 -2.309) 3.493 13.326 ( -1.626 -2.261 5.371) 6.051 13.760 ( 3.504 -0.790 -5.335) 6.431 15.564 ( -0.883 0.173 -0.524) 1.042 15.715 ( -3.794 -1.452 -1.148) 4.222 15.827 ( 0.331 -2.707 -3.400) 4.359 15.896 ( -0.494 0.041 -0.151) 0.518 16.219 ( -0.254 -1.456 1.979) 2.470 16.353 ( -0.305 -3.058 -2.533) 3.982 16.400 ( -1.931 -1.367 -0.784) 2.492 16.745 ( -0.256 -3.807 0.941) 3.930 16.804 ( 4.744 -2.135 -0.133) 5.204 16.867 ( -1.495 0.048 -1.083) 1.847 17.144 ( 2.260 2.590 5.884) 6.814 17.315 ( -1.935 -0.351 -5.790) 6.115 21.977 ( 1.782 -4.285 2.657) 5.347 22.002 ( -3.051 -6.345 3.254) 7.756 22.158 ( 3.049 -1.509 1.165) 3.596 22.280 ( -0.976 3.691 2.294) 4.454 22.424 ( -5.707 -0.587 1.130) 5.848 22.540 ( 2.224 -0.973 1.831) 3.041 22.661 ( 2.355 5.570 3.060) 6.778 22.683 ( 2.887 -0.913 -1.329) 3.306 23.034 ( 3.443 -0.041 3.426) 4.858 23.128 ( -2.751 -0.917 -4.027) 4.963 23.542 ( -1.855 -2.367 2.494) 3.907 23.728 ( -3.005 -0.331 10.453) 10.882 23.779 ( -0.076 2.029 2.460) 3.190 23.915 ( -3.316 -1.308 -0.304) 3.578 24.527 ( 3.757 0.237 -3.300) 5.006 25.133 ( 2.083 -4.184 -8.056) 9.313 25.329 ( -2.660 -8.083 6.769) 10.873 25.641 ( -0.272 5.368 -8.413) 9.984 25.976 ( -0.705 -5.173 -1.025) 5.321 26.102 ( -3.474 4.521 5.632) 8.014 27.028 ( -17.698 -1.379 0.553) 17.760 27.340 ( 3.070 -2.056 -4.220) 5.609 27.773 ( -10.282 -2.020 -4.655) 11.466 27.839 ( -1.321 -1.439 -2.229) 2.964 28.014 ( 5.408 -10.077 -4.926) 12.452 28.212 ( -3.489 -6.745 -0.619) 7.620 28.441 ( -4.596 -4.207 -0.497) 6.250 28.645 ( -3.994 -1.749 -15.675) 16.270 28.915 ( 1.782 -6.574 6.579) 9.469 29.086 ( 12.017 13.605 -6.422) 19.255 29.655 ( 1.522 3.036 -0.527) 3.437 29.698 ( 1.633 -2.079 3.331) 4.253 29.950 ( -1.036 -7.750 2.992) 8.372 30.180 ( 6.031 3.065 8.587) 10.932 30.294 ( 1.132 9.640 -0.813) 9.741 30.434 ( -4.190 -2.875 0.807) 5.145 31.129 ( -2.304 11.577 -1.243) 11.869 31.282 ( -5.170 0.417 0.301) 5.196 31.554 ( 12.357 10.398 12.296) 20.298 31.853 ( 6.998 0.367 -11.640) 13.586 32.675 ( 2.044 8.502 1.656) 8.899 32.894 ( 4.984 0.101 1.502) 5.206 33.363 ( -3.424 2.904 8.386) 9.513 33.931 ( 2.335 5.507 -6.394) 8.756 34.522 ( 2.346 -3.881 7.085) 8.412 34.842 ( 2.182 4.823 0.760) 5.348 34.977 ( -0.546 3.004 3.963) 5.003 35.409 ( -0.921 2.166 -7.596) 7.952 36.591 ( -7.603 -1.115 3.004) 8.251 36.867 ( -1.748 9.084 -4.790) 10.417 37.766 ( -3.887 -3.309 9.101) 10.434 37.866 ( -5.077 2.685 -0.096) 5.744 38.024 ( -1.267 -2.071 3.564) 4.312 38.231 ( 3.977 -2.630 -2.423) 5.349 38.261 ( -0.065 -0.242 1.239) 1.264 38.497 ( 6.080 5.259 -4.954) 9.443 38.879 ( 2.341 -3.663 -1.598) 4.632 39.212 ( 2.616 -0.303 -0.614) 2.704 39.465 ( 1.574 -0.901 -1.200) 2.175 39.549 ( 0.043 -0.935 -0.905) 1.302 49.186 ( -0.253 -2.242 1.472) 2.694 49.346 ( 1.334 -3.239 -2.324) 4.204 49.491 ( -0.353 0.504 1.115) 1.274 49.564 ( -0.041 2.535 -0.654) 2.618 86.546 ( 0.043 0.638 -1.931) 2.035 86.567 ( -0.170 1.357 -1.903) 2.344 87.252 ( -12.427 -2.074 12.127) 17.487 88.258 ( -30.754 -17.483 -40.790) 53.993 89.327 ( 2.602 -0.647 2.185) 3.459 89.427 ( 3.048 -1.565 1.405) 3.703 89.596 ( 1.052 -0.249 3.024) 3.211 89.639 ( 1.001 -4.782 0.746) 4.942 90.111 ( 1.020 -7.536 17.285) 18.884 90.757 ( -0.471 -9.836 0.954) 9.894 91.112 ( 1.599 -1.040 -11.329) 11.488 91.433 ( -1.815 5.920 -3.128) 6.937 91.981 ( 3.745 -5.611 -3.109) 7.428 92.336 ( 5.057 12.470 -5.384) 14.494 92.902 ( 0.549 0.012 14.488) 14.498 93.360 ( 2.727 -7.386 -1.030) 7.941 95.357 ( -0.343 -1.433 4.727) 4.952 95.764 ( 0.192 0.263 -2.592) 2.612 96.103 ( -4.470 3.671 2.652) 6.363 96.162 ( -0.984 -1.506 5.298) 5.595 96.640 ( 3.282 0.175 1.951) 3.822 96.799 ( 4.654 6.646 5.308) 9.696 97.035 ( -4.407 -1.436 0.747) 4.695 97.715 ( 11.351 30.714 -13.582) 35.449 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -23.899 14.609 19.329) 34.032 1.867 ( -9.996 18.609 33.961) 39.994 2.593 ( -14.639 25.362 46.019) 54.546 2.886 ( -12.386 4.261 -14.299) 19.392 3.631 ( -1.078 4.579 -13.800) 14.580 3.799 ( 1.304 -3.411 -0.726) 3.723 4.093 ( -1.646 -3.005 13.682) 14.105 4.303 ( 3.902 5.106 11.989) 13.602 4.360 ( -2.870 -8.122 0.888) 8.660 4.573 ( 0.345 -2.314 -3.386) 4.115 4.636 ( -3.429 2.504 2.935) 5.161 4.686 ( 1.922 -1.878 -3.989) 4.810 4.917 ( -10.991 -6.535 0.393) 12.793 5.092 ( -1.341 2.020 -4.595) 5.196 5.121 ( 2.834 -4.039 -1.290) 5.100 5.303 ( 0.477 -5.616 2.544) 6.184 5.440 ( -3.072 -6.196 4.752) 8.391 5.497 ( 1.686 -4.296 0.356) 4.629 5.712 ( 4.812 4.232 3.540) 7.321 5.802 ( -1.008 -1.441 -7.166) 7.379 5.979 ( 18.185 6.029 -0.139) 19.159 6.078 ( 1.821 4.036 1.896) 4.817 6.258 ( 5.347 3.646 -3.401) 7.311 6.526 ( -4.965 2.088 -6.747) 8.633 6.592 ( -0.721 -7.185 -11.008) 13.165 6.862 ( 1.119 -4.637 -5.491) 7.274 6.933 ( 1.658 2.435 -6.823) 7.432 7.028 ( 0.927 -13.434 4.450) 14.182 7.132 ( -2.389 -10.782 2.609) 11.347 7.275 ( -10.871 -0.374 -8.695) 13.925 7.490 ( -3.535 -1.200 0.455) 3.761 7.816 ( -10.443 4.071 -7.327) 13.391 7.953 ( 4.955 -1.371 3.744) 6.360 8.062 ( 2.599 9.669 5.151) 11.260 8.394 ( -0.063 -13.155 1.329) 13.222 8.780 ( -9.634 -9.018 -0.447) 13.203 9.080 ( 8.000 15.310 0.295) 17.277 9.315 ( 7.058 0.301 -2.716) 7.569 9.656 ( 8.372 0.575 3.755) 9.194 9.977 ( 11.219 5.867 -9.255) 15.682 10.079 ( 9.337 5.835 2.009) 11.193 10.298 ( 3.565 8.451 -2.058) 9.400 11.941 ( 6.698 -2.352 -0.036) 7.100 12.201 ( -0.311 9.559 0.095) 9.565 12.299 ( -1.572 0.298 2.933) 3.341 12.470 ( -3.535 3.340 -0.557) 4.896 12.792 ( 0.724 2.535 3.959) 4.756 12.961 ( 2.689 -1.864 -2.089) 3.882 13.305 ( -3.229 -1.674 5.715) 6.774 13.791 ( 2.511 0.779 -6.521) 7.031 15.550 ( -0.254 -0.442 -0.639) 0.818 15.636 ( -3.673 -1.617 -0.545) 4.050 15.825 ( 0.985 -1.553 -2.580) 3.169 15.873 ( -1.456 0.335 -1.060) 1.832 16.185 ( -3.068 -2.983 0.123) 4.281 16.365 ( 1.855 -1.002 -1.694) 2.704 16.385 ( 0.741 -0.355 -0.243) 0.857 16.735 ( -1.692 -2.718 1.622) 3.589 16.786 ( -2.108 1.159 -3.728) 4.437 16.916 ( 2.435 -5.732 2.287) 6.634 17.183 ( -0.267 1.319 3.181) 3.454 17.286 ( 1.606 0.337 -3.928) 4.257 21.963 ( -1.787 -6.330 3.128) 7.283 22.057 ( 4.463 -4.585 1.814) 6.651 22.203 ( -0.723 3.744 3.234) 5.000 22.301 ( -0.513 1.688 2.806) 3.315 22.327 ( -0.632 -4.482 -0.917) 4.618 22.574 ( -0.151 -1.129 2.739) 2.966 22.719 ( 1.862 2.376 1.219) 3.256 22.725 ( 2.095 -0.850 -0.715) 2.371 23.071 ( -0.585 -1.690 -0.585) 1.881 23.109 ( 2.249 -1.178 0.789) 2.658 23.537 ( -0.384 -1.725 2.299) 2.899 23.687 ( -4.110 -0.609 2.427) 4.811 23.787 ( -2.029 2.232 7.629) 8.204 23.889 ( 0.773 -0.088 0.967) 1.241 24.560 ( 1.171 0.015 -3.291) 3.494 25.147 ( 3.370 -4.095 -7.410) 9.112 25.229 ( -9.049 -5.736 2.065) 10.911 25.561 ( -3.035 3.726 -9.429) 10.583 25.988 ( 1.764 -5.181 0.079) 5.474 26.089 ( -1.196 3.334 5.523) 6.562 26.789 ( -9.501 1.043 7.688) 12.266 27.379 ( 2.452 -2.377 -2.873) 4.463 27.549 ( -9.758 -0.651 -5.751) 11.346 27.726 ( -7.861 3.042 -5.200) 9.904 27.886 ( -15.247 -10.831 -10.036) 21.225 28.183 ( 6.164 -13.362 4.346) 15.343 28.504 ( 7.540 -7.242 5.361) 11.748 28.610 ( 6.925 0.844 -17.103) 18.472 28.930 ( -2.648 -9.401 6.289) 11.616 29.263 ( 8.987 15.850 -3.186) 18.497 29.723 ( 1.655 7.452 2.222) 7.950 29.736 ( 2.418 -6.053 2.418) 6.953 29.958 ( -0.119 -6.247 2.846) 6.866 30.267 ( -0.348 4.481 10.700) 11.606 30.363 ( -0.201 3.422 -2.673) 4.347 30.402 ( 6.300 4.806 0.498) 7.939 30.997 ( -7.873 10.715 -2.557) 13.540 31.294 ( 3.330 -1.681 1.693) 4.096 31.768 ( 6.509 6.405 -2.199) 9.393 31.902 ( 1.875 2.803 -4.823) 5.885 32.730 ( 3.912 5.668 4.528) 8.242 33.035 ( 6.591 1.803 5.529) 8.790 33.324 ( -5.287 1.721 8.616) 10.254 33.946 ( 3.714 8.881 -11.494) 14.992 34.595 ( 1.773 -4.484 6.815) 8.348 34.878 ( 1.334 6.880 -1.690) 7.209 34.985 ( -1.650 -1.551 6.621) 6.998 35.349 ( -0.666 2.254 -7.923) 8.264 36.479 ( -6.002 1.655 6.092) 8.711 36.789 ( -2.750 12.514 -7.914) 15.060 37.715 ( -7.632 -3.216 12.077) 14.644 37.801 ( -1.237 2.818 -0.607) 3.137 38.020 ( 1.242 0.500 1.489) 2.003 38.268 ( 0.692 -5.735 4.189) 7.136 38.322 ( 6.512 -1.319 -7.152) 9.762 38.600 ( 6.003 6.859 -9.097) 12.877 38.912 ( 2.271 -6.426 1.248) 6.929 39.222 ( -1.190 0.142 -1.438) 1.872 39.498 ( 1.047 -0.168 -0.079) 1.063 39.553 ( 1.910 1.059 -2.678) 3.456 49.192 ( 0.109 -1.958 1.619) 2.543 49.350 ( 0.053 -3.687 -2.242) 4.316 49.491 ( -0.037 0.669 0.444) 0.804 49.546 ( -1.653 2.012 -0.852) 2.740 86.556 ( 1.919 1.432 -2.375) 3.373 86.568 ( 1.575 0.872 0.002) 1.801 87.050 ( -13.192 -1.278 7.627) 15.292 87.431 ( -34.770 -7.370 -20.346) 40.953 89.399 ( 3.182 -1.079 1.463) 3.665 89.470 ( 0.856 -1.565 1.023) 2.057 89.625 ( 0.344 -0.155 3.085) 3.108 89.695 ( 3.921 -3.764 0.413) 5.451 90.251 ( 4.767 -9.741 19.217) 22.066 90.764 ( -1.494 -13.248 7.239) 15.170 91.111 ( 4.799 -2.941 -14.606) 15.653 91.400 ( 0.163 7.904 -2.984) 8.450 92.037 ( 3.687 -4.746 -2.874) 6.662 92.403 ( 3.695 13.336 -2.815) 14.122 92.931 ( -3.803 0.076 10.431) 11.103 93.399 ( 3.366 -13.477 -8.378) 16.222 95.361 ( -2.020 -0.171 5.898) 6.236 95.755 ( 0.481 1.700 -4.215) 4.570 96.067 ( -2.569 3.253 10.406) 11.201 96.179 ( 0.169 -2.687 5.555) 6.173 96.729 ( 5.047 -0.047 2.848) 5.796 96.881 ( 0.281 0.915 5.829) 5.907 96.947 ( -4.014 0.050 -1.443) 4.265 97.876 ( 13.677 36.914 -24.218) 46.219 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 15.383 25.585 21.458) 36.765 2.357 ( -2.035 24.849 21.508) 32.927 2.864 ( -1.201 14.818 -12.688) 19.545 3.129 ( -5.079 27.334 25.999) 38.064 3.561 ( -7.288 -0.634 -3.948) 8.313 3.752 ( 5.133 -1.268 1.343) 5.455 4.122 ( 2.806 -4.067 0.472) 4.963 4.207 ( -5.246 1.051 0.592) 5.383 4.363 ( -5.977 -7.732 -1.388) 9.871 4.427 ( 1.268 -8.327 3.737) 9.215 4.617 ( -4.818 3.764 3.802) 7.199 4.718 ( 1.442 -3.677 5.405) 6.694 4.759 ( 2.569 2.350 0.704) 3.552 4.926 ( 0.931 -10.166 -2.517) 10.514 5.027 ( 0.413 -2.210 -1.281) 2.587 5.297 ( -2.739 -1.157 -1.870) 3.513 5.373 ( 0.591 -9.139 3.620) 9.848 5.492 ( 3.716 6.148 -6.966) 10.007 5.769 ( 1.311 1.868 -4.235) 4.811 5.785 ( -2.322 -1.611 -5.333) 6.036 6.032 ( -1.747 -4.715 -0.590) 5.063 6.120 ( -1.328 -10.585 -1.369) 10.755 6.294 ( -8.960 -0.980 1.252) 9.100 6.392 ( 5.728 -2.812 -2.292) 6.780 6.487 ( 1.109 1.906 -1.246) 2.533 6.691 ( -7.572 -10.463 5.130) 13.898 6.826 ( 2.733 -6.349 -5.600) 8.896 6.861 ( 5.929 -2.251 -2.247) 6.729 7.103 ( 2.936 -1.873 12.456) 12.934 7.363 ( -3.866 -1.607 -5.067) 6.573 7.409 ( 9.564 10.614 -14.339) 20.242 7.715 ( -7.619 6.726 -1.363) 10.254 8.007 ( 10.756 -12.579 4.941) 17.273 8.222 ( -3.112 -1.140 0.967) 3.452 8.344 ( 5.566 6.687 2.522) 9.059 8.378 ( -9.888 -11.041 -1.124) 14.864 9.367 ( 1.464 2.744 -3.413) 4.618 9.428 ( -3.418 6.349 -4.691) 8.603 9.903 ( 6.031 7.573 1.811) 9.849 9.994 ( -4.622 -5.813 0.163) 7.429 10.309 ( 1.639 7.062 1.362) 7.376 10.574 ( 7.763 11.367 -10.380) 17.240 12.069 ( -10.089 -0.795 1.158) 10.186 12.096 ( 7.932 0.252 -0.119) 7.936 12.455 ( 2.131 4.305 2.109) 5.246 12.517 ( -0.119 4.747 -0.154) 4.751 12.867 ( -1.856 3.750 0.856) 4.270 12.908 ( 0.028 -3.183 0.489) 3.220 13.330 ( 0.473 3.289 6.551) 7.346 13.779 ( -0.454 -1.363 -7.000) 7.146 15.520 ( 0.014 -1.638 -0.147) 1.645 15.568 ( 0.286 -1.390 -0.506) 1.507 15.812 ( -1.519 -0.563 -1.351) 2.109 15.848 ( 1.943 -0.950 -3.037) 3.728 16.090 ( -0.143 -3.343 2.156) 3.980 16.361 ( 0.767 -2.719 1.723) 3.309 16.416 ( 2.114 0.724 -0.433) 2.276 16.597 ( -5.583 -4.619 1.447) 7.389 16.723 ( -1.648 -1.583 -4.900) 5.407 16.903 ( 3.617 -0.310 -3.843) 5.286 17.196 ( -2.167 1.472 1.606) 3.073 17.339 ( 4.133 0.554 -1.446) 4.414 21.840 ( -0.905 -5.000 4.547) 6.818 22.056 ( 3.821 -3.654 0.907) 5.364 22.213 ( -2.494 -1.250 0.716) 2.880 22.260 ( -1.184 0.936 0.168) 1.519 22.353 ( 1.589 -1.438 4.569) 5.047 22.574 ( 0.766 0.436 4.540) 4.625 22.639 ( -1.410 -3.265 -3.346) 4.883 22.795 ( -2.948 3.444 1.345) 4.729 23.026 ( -1.741 -3.156 1.142) 3.781 23.086 ( 3.714 -3.154 -1.103) 4.996 23.521 ( 0.242 -0.652 1.711) 1.847 23.588 ( -5.878 -1.444 5.209) 7.986 23.827 ( -1.982 3.687 0.549) 4.222 23.944 ( 2.934 -0.112 3.556) 4.611 24.550 ( -1.083 1.227 -3.047) 3.459 25.026 ( -5.231 -5.076 6.758) 9.939 25.088 ( 3.040 -5.291 -5.446) 8.179 25.514 ( -1.027 1.690 -10.530) 10.714 25.899 ( 4.728 -7.458 -4.353) 9.845 26.174 ( 0.802 3.757 0.653) 3.896 26.803 ( 0.663 3.223 12.987) 13.397 27.339 ( -2.119 -0.937 -0.509) 2.372 27.380 ( -1.698 1.126 -3.993) 4.483 27.636 ( 1.188 -0.549 -6.137) 6.275 27.722 ( 2.707 0.510 -0.411) 2.785 28.092 ( -0.729 -8.136 2.783) 8.630 28.426 ( 3.056 -6.761 -0.589) 7.443 28.497 ( 1.785 -11.238 -3.485) 11.900 28.883 ( 2.836 3.006 -7.348) 8.431 29.378 ( 1.062 -12.885 -11.680) 17.423 29.794 ( 3.638 -6.809 9.560) 12.288 29.863 ( 1.403 14.600 4.051) 15.216 30.031 ( -4.405 11.031 -1.225) 11.942 30.171 ( -2.238 -2.259 6.351) 7.103 30.531 ( 0.611 8.062 -0.841) 8.129 30.631 ( 1.753 5.078 -2.752) 6.036 31.066 ( -3.005 7.329 0.189) 7.924 31.336 ( 2.834 -2.413 -0.408) 3.744 31.851 ( -8.740 4.854 8.516) 13.132 31.997 ( 2.293 10.242 -7.828) 13.094 32.920 ( 5.299 0.602 9.830) 11.183 33.249 ( -3.679 6.422 6.295) 9.716 33.333 ( -0.952 8.472 -0.940) 8.577 33.984 ( 4.216 -5.092 -14.827) 16.234 34.545 ( -0.102 -5.537 9.443) 10.947 34.879 ( -9.664 1.626 5.824) 11.400 34.996 ( -0.274 2.785 -1.621) 3.234 35.373 ( 5.699 -0.518 -8.431) 10.189 36.528 ( -2.238 5.474 8.640) 10.470 36.997 ( 1.909 11.447 -7.800) 13.983 37.554 ( -5.400 -5.151 10.597) 12.961 37.860 ( 1.074 2.350 0.884) 2.731 38.101 ( 3.595 0.208 1.766) 4.011 38.204 ( 1.035 -3.379 3.583) 5.033 38.356 ( 2.193 -1.419 -7.508) 7.950 38.628 ( -2.711 0.197 -10.326) 10.678 38.874 ( 5.190 -5.596 1.726) 7.825 39.119 ( -3.702 -2.710 -3.986) 6.077 39.506 ( -2.863 1.870 -1.410) 3.699 39.605 ( 1.733 0.722 -3.026) 3.562 49.162 ( 0.070 -2.073 1.423) 2.515 49.266 ( -0.604 -2.672 -1.360) 3.058 49.512 ( -0.708 1.708 0.812) 2.020 49.563 ( 0.112 1.743 -0.502) 1.817 86.573 ( -2.005 0.815 0.501) 2.221 86.669 ( 3.850 3.060 -2.819) 5.668 86.862 ( -7.952 -1.200 2.994) 8.581 87.059 ( 9.335 -4.089 -2.664) 10.534 89.413 ( 0.053 -1.766 0.489) 1.833 89.439 ( 0.572 -1.840 0.415) 1.971 89.637 ( -0.606 0.181 2.881) 2.950 89.696 ( 3.612 -3.948 2.204) 5.787 90.226 ( 1.565 -8.164 16.598) 18.563 90.468 ( -7.781 -11.207 11.299) 17.714 91.028 ( 6.563 -6.328 -18.352) 20.492 91.562 ( 4.748 4.998 -10.732) 12.755 92.023 ( 3.958 -3.140 3.908) 6.388 92.645 ( -0.681 8.505 -5.464) 10.132 92.839 ( -7.458 -0.183 2.890) 8.001 93.200 ( 1.879 -5.639 -7.277) 9.396 95.353 ( -4.853 1.363 10.959) 12.062 95.806 ( 0.073 3.296 -0.079) 3.298 96.089 ( -0.946 -3.641 4.840) 6.130 96.265 ( 3.458 6.700 5.817) 9.523 96.729 ( -1.620 -3.497 -0.953) 3.970 96.911 ( -2.271 5.309 13.009) 14.233 97.034 ( 0.576 5.498 1.529) 5.736 98.441 ( 2.518 18.869 -34.245) 39.180 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 24.179 16.876 18.588) 34.856 2.440 ( 1.857 20.441 15.982) 26.014 2.865 ( 7.166 17.400 -12.928) 22.831 3.172 ( -3.435 24.678 21.942) 33.200 3.434 ( -5.856 4.103 3.214) 7.839 3.833 ( 1.275 1.931 -7.863) 8.196 4.076 ( -9.070 -1.071 7.250) 11.661 4.193 ( 6.682 2.216 6.753) 9.755 4.281 ( -0.500 -11.613 -1.629) 11.738 4.422 ( -2.649 -8.942 3.091) 9.825 4.604 ( -3.094 0.854 5.803) 6.632 4.763 ( 3.919 -0.081 -5.010) 6.361 4.839 ( 5.513 -3.137 3.998) 7.498 4.941 ( 2.176 -3.222 -4.098) 5.649 5.096 ( 5.217 -4.300 1.541) 6.934 5.233 ( -4.796 -8.270 -7.930) 12.421 5.311 ( -0.648 -4.538 -0.691) 4.636 5.551 ( 1.731 4.755 -0.752) 5.115 5.744 ( 0.741 -2.514 -4.676) 5.360 5.792 ( 1.811 4.827 1.059) 5.263 5.980 ( -6.303 -8.751 2.626) 11.099 6.085 ( 2.325 -5.591 -3.162) 6.831 6.135 ( -7.103 -0.131 -3.971) 8.139 6.471 ( 1.856 2.297 -1.439) 3.285 6.526 ( 2.770 -2.137 0.165) 3.502 6.623 ( -0.634 -11.340 4.801) 12.331 6.798 ( -2.474 -2.885 -5.435) 6.632 7.036 ( 10.480 -6.144 0.508) 12.159 7.135 ( -3.682 4.781 8.396) 10.340 7.298 ( 0.717 -0.732 -7.996) 8.061 7.556 ( 6.873 8.705 -6.068) 12.643 7.624 ( 2.095 4.016 -2.060) 4.976 8.152 ( -1.996 -12.483 0.689) 12.660 8.183 ( -2.460 -7.212 2.061) 7.894 8.241 ( 2.645 -10.622 -1.026) 10.994 8.484 ( 8.183 5.823 1.699) 10.186 9.223 ( -14.211 0.298 -4.742) 14.984 9.327 ( -4.813 6.161 -2.557) 8.226 9.785 ( -12.789 -1.710 1.960) 13.051 9.928 ( -8.046 3.466 -2.898) 9.228 10.329 ( -1.067 6.868 3.359) 7.719 10.658 ( 5.842 12.732 -10.134) 17.290 11.888 ( -7.457 1.293 0.237) 7.572 12.258 ( 7.215 -2.540 0.948) 7.708 12.438 ( -3.628 8.125 0.601) 8.919 12.576 ( 5.437 3.283 -0.260) 6.356 12.838 ( -1.307 3.973 1.348) 4.395 12.912 ( 0.058 -3.012 0.734) 3.100 13.352 ( -1.675 4.092 6.430) 7.804 13.718 ( -2.190 -2.436 -6.609) 7.376 15.544 ( 2.621 -1.573 -0.279) 3.070 15.599 ( 2.946 -1.164 -0.357) 3.188 15.766 ( -1.906 -0.985 -1.143) 2.431 15.877 ( 2.026 -0.923 -3.460) 4.115 16.112 ( 0.982 -2.206 2.718) 3.636 16.362 ( -0.077 -1.412 -1.666) 2.185 16.479 ( 2.091 -1.700 4.479) 5.228 16.490 ( -4.509 -5.393 0.040) 7.030 16.682 ( -1.127 -2.966 -3.709) 4.881 16.943 ( 2.884 1.787 -3.853) 5.134 17.144 ( -3.532 1.473 0.484) 3.858 17.417 ( 4.396 0.867 -1.836) 4.842 21.839 ( -1.611 -3.954 3.929) 5.802 22.107 ( 1.814 -2.875 -1.707) 3.804 22.170 ( -1.422 1.996 0.969) 2.636 22.287 ( 1.912 -3.678 2.734) 4.966 22.357 ( -2.014 -2.353 3.783) 4.889 22.541 ( -4.582 -1.191 -3.097) 5.658 22.661 ( 2.000 1.023 5.256) 5.716 22.749 ( -1.653 1.994 0.622) 2.664 22.969 ( -3.401 -2.893 0.136) 4.467 23.196 ( 6.466 -2.120 0.219) 6.808 23.508 ( -1.691 -0.381 1.805) 2.502 23.550 ( -1.053 -1.716 5.633) 5.982 23.782 ( -2.795 2.715 0.173) 3.900 24.011 ( 1.841 -1.382 3.631) 4.299 24.506 ( -1.863 2.264 -3.217) 4.352 24.973 ( -3.887 -6.822 5.967) 9.862 25.112 ( 1.314 -6.389 -2.715) 7.065 25.498 ( 4.004 3.954 -7.765) 9.590 25.981 ( 7.110 -6.761 -8.583) 13.036 26.209 ( 2.614 3.388 -0.062) 4.280 26.911 ( 3.084 5.236 13.523) 14.825 27.311 ( 2.079 -3.281 -0.862) 3.979 27.426 ( 5.140 5.404 -2.121) 7.754 27.645 ( 4.804 -1.107 -10.259) 11.382 27.845 ( 8.849 5.804 4.430) 11.472 28.074 ( -1.658 -15.591 -2.287) 15.845 28.466 ( 0.290 -9.295 -1.775) 9.467 28.546 ( 7.061 -10.546 -5.196) 13.714 28.889 ( 0.391 2.600 -4.553) 5.257 29.321 ( -1.266 -12.956 -11.808) 17.575 29.794 ( -8.869 -1.881 7.927) 12.043 29.920 ( -4.159 8.959 0.224) 9.880 29.951 ( 5.693 6.515 3.867) 9.477 30.153 ( -3.557 0.316 3.695) 5.138 30.490 ( -4.189 5.884 -3.644) 8.090 30.665 ( 3.385 2.874 3.471) 5.636 31.011 ( -4.959 7.562 1.087) 9.108 31.368 ( 2.166 -2.733 -3.413) 4.879 31.694 ( -11.051 7.663 6.655) 15.004 31.995 ( 0.325 13.566 -3.118) 13.924 33.065 ( 3.228 -2.029 13.076) 13.620 33.107 ( -9.971 6.250 1.741) 11.896 33.338 ( 0.482 9.526 -3.130) 10.039 33.980 ( 2.455 -1.192 -13.249) 13.527 34.561 ( -3.978 -3.910 10.576) 11.956 34.734 ( -6.962 0.969 5.677) 9.036 35.015 ( 2.964 1.727 -3.078) 4.609 35.447 ( 5.156 -0.216 -6.060) 7.960 36.549 ( 0.932 5.152 7.064) 8.792 37.003 ( 2.088 11.824 -5.843) 13.353 37.546 ( -0.093 -4.348 8.382) 9.443 37.911 ( 1.998 0.101 5.515) 5.867 38.125 ( -0.299 0.320 0.466) 0.640 38.250 ( -1.746 -2.110 -2.112) 3.458 38.331 ( 1.523 -5.071 -4.689) 7.073 38.557 ( -0.000 1.366 -6.539) 6.680 38.918 ( -1.972 -3.123 1.079) 3.848 39.040 ( -1.482 -0.810 -4.110) 4.443 39.435 ( -3.392 -0.435 -0.142) 3.422 39.597 ( -1.090 0.021 -2.196) 2.452 49.162 ( -0.804 -2.258 1.674) 2.924 49.251 ( -0.142 -2.342 -1.476) 2.772 49.504 ( -0.231 2.547 0.844) 2.693 49.577 ( 1.220 1.372 -0.428) 1.885 86.535 ( -1.235 0.826 -0.451) 1.553 86.675 ( -1.133 2.038 -1.939) 3.033 86.869 ( 6.511 0.709 3.673) 7.510 87.419 ( 27.434 -9.311 -7.570) 29.944 89.383 ( -2.371 -2.033 -0.256) 3.134 89.466 ( 1.062 -1.726 1.545) 2.549 89.616 ( -2.424 0.196 1.970) 3.129 89.751 ( 1.640 -2.199 -1.519) 3.135 90.296 ( -4.157 -14.581 4.845) 15.917 90.396 ( -3.921 -11.267 22.285) 25.277 91.074 ( 7.242 -5.658 -16.751) 19.106 91.579 ( 3.560 3.674 -16.964) 17.719 92.132 ( 4.374 -0.617 9.337) 10.329 92.556 ( -5.644 5.774 -4.247) 9.123 92.681 ( -9.018 2.527 -2.310) 9.646 93.230 ( 3.293 -4.383 -2.713) 6.117 95.313 ( -4.684 0.729 10.851) 11.841 95.806 ( -0.048 2.883 0.163) 2.888 96.094 ( -0.678 -4.172 3.862) 5.725 96.368 ( 4.700 6.849 5.266) 9.835 96.649 ( -6.533 0.672 4.108) 7.747 96.952 ( 0.443 2.584 2.949) 3.945 97.044 ( -1.048 5.284 6.842) 8.708 98.256 ( -4.458 20.453 -29.372) 36.068 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 9.488 15.679 13.364) 22.682 2.593 ( 9.991 10.484 14.644) 20.596 2.953 ( 8.313 11.773 -14.870) 20.708 3.171 ( -6.720 16.464 14.947) 23.230 3.363 ( -5.841 10.419 12.800) 17.508 3.761 ( -1.886 -1.699 -17.567) 17.749 4.033 ( 2.976 7.885 18.689) 20.501 4.285 ( -0.479 -8.776 4.267) 9.770 4.353 ( -5.097 -16.064 -5.622) 17.766 4.421 ( 7.314 1.853 4.295) 8.682 4.568 ( 1.012 6.322 8.642) 10.755 4.792 ( 0.581 2.048 -9.424) 9.662 4.951 ( 4.026 -4.412 -2.554) 6.496 4.994 ( 5.446 -2.390 4.562) 7.496 5.083 ( -2.163 -5.026 -1.635) 5.711 5.241 ( 5.971 -4.252 -3.693) 8.208 5.345 ( 1.201 -1.174 3.217) 3.629 5.509 ( -4.496 4.607 -0.184) 6.440 5.753 ( 2.405 -2.123 -2.330) 3.965 5.854 ( -3.944 1.180 0.979) 4.231 5.870 ( 2.070 -0.181 1.289) 2.445 6.001 ( -4.164 -3.506 -5.728) 7.902 6.162 ( 5.733 1.058 -2.634) 6.397 6.470 ( -7.432 1.485 0.912) 7.633 6.506 ( -0.409 -2.439 2.595) 3.584 6.703 ( 5.833 -9.998 -1.174) 11.634 6.747 ( 2.076 -1.657 -0.012) 2.657 7.074 ( -1.977 4.675 -2.825) 5.809 7.237 ( 7.258 -7.152 -0.429) 10.199 7.265 ( -1.269 5.441 -0.846) 5.651 7.628 ( 6.234 2.196 4.009) 7.730 7.753 ( 8.887 -5.991 -5.540) 12.065 8.032 ( -5.729 -13.462 -6.504) 16.010 8.199 ( 4.616 -5.859 -0.899) 7.512 8.333 ( 0.442 -13.554 7.118) 15.316 8.634 ( 7.305 3.287 -1.847) 8.221 8.901 ( -15.219 -0.918 -7.151) 16.841 9.225 ( -4.359 5.030 -0.754) 6.699 9.544 ( -13.525 -2.312 1.648) 13.820 9.659 ( -17.216 2.882 -6.110) 18.494 10.278 ( -6.662 9.603 6.303) 13.278 10.688 ( 2.441 14.572 -9.450) 17.538 11.822 ( 0.323 2.923 -0.162) 2.946 12.282 ( -6.712 -1.338 0.412) 6.857 12.429 ( 4.556 8.640 0.435) 9.777 12.675 ( 5.013 4.165 -1.433) 6.673 12.830 ( -0.858 4.174 1.399) 4.485 12.917 ( 0.251 -1.277 0.357) 1.350 13.332 ( -2.996 2.627 5.325) 6.651 13.653 ( -1.634 -4.068 -5.177) 6.784 15.594 ( 2.137 -0.901 -0.684) 2.418 15.653 ( 2.869 -0.978 -1.092) 3.222 15.757 ( 1.756 -1.330 -0.103) 2.205 15.882 ( 0.181 -1.456 -3.353) 3.660 16.143 ( 0.874 -1.144 2.782) 3.132 16.346 ( -1.578 -3.131 0.747) 3.585 16.421 ( -1.586 -4.772 -0.392) 5.044 16.552 ( 1.887 -4.448 5.573) 7.376 16.642 ( -0.835 -2.555 -4.934) 5.619 16.980 ( 3.032 2.794 -3.017) 5.109 17.084 ( -2.687 1.705 -0.652) 3.248 17.465 ( 1.895 1.069 -3.060) 3.754 21.818 ( -1.947 -3.451 2.584) 4.730 22.115 ( 0.842 -1.692 -3.149) 3.673 22.178 ( -1.285 0.087 4.729) 4.902 22.253 ( -3.587 -3.912 0.271) 5.314 22.412 ( 4.663 -1.605 1.465) 5.144 22.455 ( -2.910 -1.242 -0.414) 3.191 22.654 ( -3.254 1.273 2.847) 4.507 22.764 ( 0.259 1.151 3.896) 4.070 22.935 ( -0.366 0.486 0.634) 0.879 23.271 ( 1.958 -0.273 -3.745) 4.234 23.529 ( 2.014 -0.723 5.325) 5.739 23.572 ( 0.473 -2.230 6.200) 6.606 23.735 ( -2.242 0.883 0.597) 2.482 24.030 ( -1.462 -2.991 3.244) 4.648 24.463 ( -0.850 2.694 -3.288) 4.336 24.948 ( -1.886 -8.118 7.344) 11.108 25.109 ( -0.593 -6.730 -0.628) 6.785 25.578 ( 7.607 5.854 -6.032) 11.337 26.050 ( 4.790 -5.560 -12.275) 14.302 26.258 ( 2.695 3.476 -0.909) 4.492 27.019 ( 3.100 4.355 9.815) 11.177 27.383 ( 4.604 -1.641 -3.804) 6.194 27.526 ( 6.671 -0.492 -0.363) 6.699 27.742 ( 9.422 1.161 -3.839) 10.240 27.993 ( -4.583 -12.003 -4.775) 13.707 28.074 ( 13.098 6.910 2.814) 15.074 28.423 ( -2.043 -8.150 -7.082) 10.989 28.688 ( 8.587 -13.195 -2.380) 15.921 28.846 ( -3.430 2.946 -1.116) 4.657 29.210 ( -4.830 -6.889 -11.973) 14.633 29.642 ( -8.254 -3.502 2.013) 9.190 29.863 ( -2.710 3.203 -0.229) 4.202 30.054 ( 1.300 5.340 2.081) 5.877 30.079 ( -4.956 -1.165 5.891) 7.786 30.384 ( -4.014 1.413 -3.333) 5.405 30.759 ( -2.522 -1.004 10.745) 11.083 30.909 ( 0.183 12.436 -0.677) 12.455 31.413 ( 4.725 -0.253 -3.649) 5.975 31.531 ( -8.571 7.834 3.025) 12.000 31.969 ( -3.513 14.121 2.527) 14.769 32.917 ( -9.232 7.505 -0.271) 11.901 33.132 ( -3.823 -1.406 8.821) 9.716 33.356 ( 4.455 7.490 -3.750) 9.487 33.958 ( 1.379 1.847 -10.709) 10.954 34.489 ( -7.697 -1.254 10.453) 13.042 34.713 ( 0.133 1.461 8.348) 8.476 35.060 ( 3.768 1.778 -5.467) 6.874 35.490 ( 1.952 0.716 -3.948) 4.462 36.627 ( 4.060 3.028 4.902) 7.048 37.011 ( 0.937 10.611 -3.591) 11.241 37.628 ( 5.011 -3.424 6.387) 8.811 37.940 ( -2.770 -2.786 6.547) 7.635 38.108 ( -8.448 -4.595 -2.595) 9.961 38.148 ( 2.614 1.387 0.465) 2.995 38.337 ( -1.251 -0.806 -3.706) 3.993 38.592 ( 5.851 1.217 -3.323) 6.838 38.839 ( -6.312 -1.161 1.569) 6.607 39.023 ( 1.428 0.206 -4.680) 4.897 39.400 ( -0.574 -3.827 0.414) 3.892 39.554 ( -2.338 -1.181 -1.862) 3.214 49.151 ( -1.144 -2.557 1.809) 3.334 49.248 ( 0.621 -2.340 -1.857) 3.051 49.510 ( 0.206 2.613 1.247) 2.903 49.596 ( 1.069 1.513 -0.667) 1.969 86.530 ( 0.889 0.802 -0.848) 1.467 86.658 ( 0.131 1.521 -1.848) 2.397 87.052 ( 9.592 1.156 6.303) 11.536 87.881 ( 26.184 -13.982 -12.818) 32.332 89.340 ( -1.904 -1.868 -0.345) 2.690 89.481 ( -0.400 -1.872 1.574) 2.478 89.577 ( -2.495 -0.401 1.764) 3.082 89.742 ( -1.153 -1.784 -3.918) 4.457 90.144 ( -11.558 -13.374 4.340) 18.201 90.494 ( 0.688 -14.193 19.694) 24.285 91.131 ( 7.271 -4.386 -17.382) 19.345 91.535 ( 1.587 1.349 -20.151) 20.259 92.217 ( -2.575 4.446 5.496) 7.524 92.460 ( -2.537 -1.480 9.760) 10.192 92.528 ( -3.812 6.401 -9.659) 12.198 93.278 ( 2.273 -1.410 0.347) 2.697 95.289 ( -3.393 0.312 10.873) 11.395 95.804 ( -0.532 2.159 1.017) 2.445 96.098 ( -0.593 -4.532 2.700) 5.308 96.477 ( 4.670 7.534 1.069) 8.928 96.552 ( -6.413 2.272 8.246) 10.691 96.911 ( -3.762 4.232 -4.142) 7.015 97.076 ( -0.205 2.836 9.337) 9.760 98.072 ( -1.794 21.093 -20.807) 29.682 ======================= Grid point 143 (73/125) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -8.478 18.088 15.520) 25.297 2.755 ( -7.433 1.763 5.308) 9.302 3.048 ( -1.046 15.095 3.308) 15.488 3.114 ( 10.946 7.911 0.799) 13.529 3.409 ( 0.987 8.434 20.768) 22.437 3.670 ( 2.579 -6.718 -18.804) 20.134 4.139 ( -8.908 -8.602 -0.967) 12.421 4.287 ( -1.861 -3.556 0.760) 4.085 4.310 ( 8.521 1.626 8.185) 11.927 4.426 ( -2.827 3.953 4.753) 6.798 4.719 ( 5.591 4.763 0.815) 7.390 4.776 ( 3.060 3.701 0.791) 4.867 4.968 ( -0.744 -2.028 -0.577) 2.236 5.064 ( 2.106 -2.636 -8.592) 9.230 5.106 ( 0.059 -1.152 9.981) 10.048 5.281 ( -2.503 -1.909 1.703) 3.579 5.343 ( -2.316 3.992 4.283) 6.296 5.472 ( 2.291 2.779 3.046) 4.717 5.752 ( -0.416 2.528 -6.356) 6.853 5.860 ( -0.890 -5.170 -5.382) 7.515 5.877 ( 6.467 -1.199 -3.142) 7.289 6.004 ( 2.406 1.899 0.238) 3.075 6.180 ( -6.288 2.817 0.966) 6.958 6.349 ( 2.022 2.446 1.659) 3.581 6.538 ( 1.664 -1.670 1.398) 2.741 6.769 ( 3.989 -8.908 -3.562) 10.389 6.865 ( 5.034 -1.026 -0.281) 5.145 7.014 ( -2.340 1.192 -2.359) 3.530 7.187 ( -2.885 5.836 -2.977) 7.158 7.389 ( 6.134 -6.487 0.658) 8.952 7.750 ( -3.313 -15.328 -2.219) 15.838 7.828 ( 5.301 -6.670 4.803) 9.781 7.999 ( 5.032 -9.962 2.279) 11.392 8.170 ( -11.444 -12.679 3.176) 17.372 8.403 ( 10.402 -1.693 -6.479) 12.371 8.673 ( -2.247 0.290 -4.700) 5.218 8.737 ( 2.533 -3.893 -7.222) 8.586 9.198 ( 0.257 3.726 2.598) 4.549 9.301 ( -15.330 -1.594 -10.447) 18.619 9.352 ( -5.604 3.113 1.027) 6.492 10.180 ( -6.519 12.382 8.322) 16.281 10.667 ( 0.249 15.745 -9.081) 18.178 11.882 ( 5.277 2.928 0.239) 6.040 12.129 ( -8.169 3.092 -0.884) 8.779 12.520 ( 3.943 6.744 1.373) 7.932 12.728 ( 1.277 5.895 -1.516) 6.220 12.809 ( -1.742 3.505 0.036) 3.914 12.917 ( -0.258 0.773 -0.670) 1.055 13.310 ( -1.962 0.673 5.314) 5.705 13.620 ( 0.809 -5.503 -4.455) 7.126 15.602 ( -0.328 -0.133 -0.694) 0.779 15.700 ( 3.068 -1.062 -2.628) 4.177 15.811 ( 2.905 -1.366 0.904) 3.335 15.853 ( -1.550 -2.412 -2.504) 3.807 16.170 ( 0.568 -0.405 3.052) 3.131 16.317 ( -2.023 -5.279 1.606) 5.877 16.407 ( -0.857 -4.099 1.101) 4.330 16.595 ( 0.079 -5.824 5.357) 7.914 16.623 ( 2.144 -1.581 -6.560) 7.080 17.015 ( 1.326 1.683 -6.968) 7.290 17.055 ( 0.454 3.184 3.841) 5.010 17.456 ( -0.989 1.058 -4.410) 4.641 21.807 ( -0.165 -3.569 2.333) 4.267 22.079 ( -5.804 -4.295 -0.325) 7.227 22.129 ( -1.644 -1.461 0.754) 2.325 22.251 ( 1.972 -1.374 -2.145) 3.222 22.435 ( 1.301 -0.678 2.712) 3.083 22.499 ( 1.475 -1.572 3.505) 4.115 22.618 ( -1.103 2.837 2.211) 3.762 22.770 ( -1.371 1.579 3.519) 4.093 22.942 ( 0.469 1.925 1.178) 2.305 23.248 ( -1.218 0.374 -6.576) 6.698 23.568 ( -1.219 -1.936 3.788) 4.425 23.636 ( 1.665 -1.165 11.115) 11.300 23.721 ( 0.926 -0.172 0.219) 0.967 23.997 ( -3.277 -3.517 2.404) 5.374 24.455 ( 1.736 2.720 -3.030) 4.426 24.979 ( 1.138 -8.302 8.888) 12.216 25.094 ( -1.093 -6.846 1.674) 7.132 25.692 ( 7.256 6.341 -7.014) 11.918 26.032 ( -0.428 -3.519 -11.565) 12.096 26.281 ( 0.291 3.529 -2.687) 4.445 27.131 ( 5.307 -1.510 4.979) 7.432 27.405 ( 0.493 -1.364 -6.452) 6.613 27.597 ( -2.309 -8.924 0.689) 9.243 27.864 ( -1.273 -1.021 -5.899) 6.120 27.969 ( 12.453 2.183 1.140) 12.694 28.296 ( 0.728 -1.701 -4.207) 4.596 28.389 ( 8.813 1.664 0.535) 8.985 28.750 ( -4.127 -11.504 0.340) 12.227 28.761 ( -5.258 2.430 1.634) 6.019 29.095 ( 2.036 -0.265 -15.061) 15.200 29.545 ( -2.245 -7.282 -1.072) 7.695 29.807 ( -2.913 -0.327 -2.720) 3.999 29.959 ( -6.829 -1.407 2.272) 7.333 30.080 ( -1.234 2.984 2.172) 3.892 30.358 ( 1.447 1.247 1.084) 2.196 30.617 ( -10.288 1.475 5.131) 11.591 31.110 ( 13.337 11.431 11.398) 20.939 31.381 ( -6.871 7.347 2.686) 10.411 31.537 ( 8.588 0.118 -6.620) 10.844 31.870 ( -8.768 11.382 2.505) 14.584 32.799 ( -2.713 9.815 -0.091) 10.184 33.041 ( -7.274 0.642 1.630) 7.482 33.435 ( 3.961 4.958 -0.813) 6.398 33.941 ( 1.944 1.901 -8.952) 9.356 34.416 ( -5.267 -1.073 10.699) 11.973 34.780 ( 2.050 4.359 9.812) 10.930 35.094 ( 2.825 3.130 -6.237) 7.529 35.488 ( 0.025 0.931 -3.517) 3.638 36.711 ( 1.845 0.749 3.189) 3.759 37.006 ( 0.477 8.759 -2.448) 9.107 37.768 ( 5.925 -2.063 4.216) 7.559 37.868 ( -5.789 -3.942 3.905) 8.019 37.983 ( -4.506 -5.068 4.426) 8.098 38.202 ( 1.352 0.509 -1.581) 2.141 38.284 ( -1.206 3.200 -1.640) 3.792 38.673 ( 0.293 4.182 -6.491) 7.727 38.729 ( -2.785 -4.377 5.147) 7.308 39.056 ( 4.763 0.691 -5.709) 7.467 39.402 ( 0.145 -5.050 0.789) 5.113 39.508 ( -1.264 -2.517 -1.977) 3.441 49.140 ( -0.952 -2.760 1.715) 3.386 49.256 ( 1.172 -2.490 -2.105) 3.465 49.519 ( -0.166 2.157 1.762) 2.790 49.609 ( 0.724 1.953 -0.996) 2.309 86.551 ( 1.461 1.060 -0.600) 1.902 86.649 ( -0.323 1.690 -2.417) 2.967 87.238 ( 5.393 -0.113 9.817) 11.201 88.217 ( 16.719 -18.193 -16.527) 29.726 89.317 ( -0.225 -1.541 -0.299) 1.586 89.454 ( -3.368 -2.290 -1.172) 4.238 89.551 ( -0.960 -0.502 1.766) 2.072 89.663 ( -5.654 -5.566 -3.924) 8.851 89.976 ( -8.210 -7.138 9.636) 14.533 90.570 ( -0.942 -12.864 13.309) 18.533 91.159 ( 4.638 -2.893 -20.355) 21.076 91.484 ( 3.180 -1.902 -17.136) 17.532 92.085 ( -9.902 4.790 1.825) 11.150 92.457 ( 1.244 7.159 -10.442) 12.721 92.575 ( 5.068 -2.149 16.299) 17.203 93.312 ( 1.160 0.862 0.731) 1.619 95.292 ( -1.839 0.492 11.289) 11.449 95.796 ( -1.032 1.635 1.816) 2.652 96.098 ( -0.664 -4.492 2.125) 5.013 96.436 ( -6.233 5.695 1.806) 8.634 96.583 ( 2.463 3.140 2.482) 4.699 96.834 ( -1.181 6.928 -2.560) 7.479 97.103 ( -1.435 1.696 7.924) 8.229 98.011 ( 4.177 20.981 -15.403) 26.361 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -25.116 11.512 9.384) 29.179 2.462 ( -14.740 17.115 12.221) 25.682 3.121 ( 2.216 10.258 7.392) 12.837 3.332 ( 6.435 9.180 2.456) 11.477 3.525 ( 2.820 2.645 14.490) 14.997 3.681 ( 6.589 -7.534 -13.962) 17.178 3.983 ( -6.064 -10.453 -1.215) 12.145 4.184 ( -3.576 1.119 0.163) 3.750 4.369 ( -2.314 5.765 3.370) 7.067 4.538 ( 5.503 -2.276 2.537) 6.473 4.688 ( -6.482 1.092 -5.382) 8.496 4.807 ( -3.007 5.207 3.998) 7.221 4.996 ( 3.533 0.696 2.441) 4.350 5.061 ( -7.014 -4.031 13.119) 15.413 5.142 ( 5.783 -3.119 2.260) 6.948 5.263 ( -2.799 8.287 -2.534) 9.107 5.281 ( 0.225 -4.395 0.704) 4.457 5.586 ( 3.965 3.091 1.158) 5.159 5.721 ( -0.572 5.978 -0.113) 6.006 5.805 ( -1.388 -1.389 -7.510) 7.763 5.898 ( -7.860 0.098 -2.216) 8.167 5.983 ( 5.749 4.706 -3.870) 8.377 6.221 ( 8.040 -1.349 2.860) 8.639 6.450 ( 3.496 0.502 4.977) 6.103 6.594 ( 5.224 -2.844 -3.298) 6.801 6.779 ( -5.885 -2.858 -2.320) 6.942 6.878 ( 5.441 1.280 -6.975) 8.938 6.978 ( -3.632 -1.803 0.396) 4.075 7.145 ( -0.906 -4.757 -2.569) 5.482 7.362 ( -7.684 -12.475 -5.626) 15.695 7.705 ( -4.764 -12.276 13.951) 19.184 7.796 ( -6.054 -6.003 -2.640) 8.925 8.078 ( 4.166 -5.120 5.305) 8.468 8.167 ( 3.851 -9.283 0.020) 10.050 8.406 ( -4.868 3.452 -12.152) 13.538 8.715 ( 7.981 -2.603 -10.246) 13.246 8.786 ( 3.362 -8.573 4.471) 10.237 9.067 ( -0.857 2.285 -5.862) 6.349 9.223 ( 4.682 2.020 -2.972) 5.902 9.460 ( 14.078 1.726 -0.501) 14.192 10.141 ( -1.829 13.491 8.199) 15.893 10.619 ( -1.001 15.827 -8.331) 17.914 11.931 ( -3.257 1.576 0.076) 3.618 12.069 ( 5.350 5.098 -0.438) 7.403 12.558 ( -1.495 6.503 2.510) 7.129 12.698 ( -3.352 4.263 -3.241) 6.318 12.793 ( 0.950 6.193 0.844) 6.322 12.912 ( 0.201 0.762 -0.889) 1.188 13.299 ( -2.030 -0.939 4.748) 5.248 13.649 ( 4.342 -5.009 -4.138) 7.815 15.590 ( -0.703 0.409 -0.551) 0.982 15.729 ( 0.767 -1.212 -2.573) 2.946 15.791 ( -2.463 -3.204 -2.114) 4.561 15.869 ( 1.896 -1.280 0.284) 2.305 16.186 ( -0.792 -1.714 3.427) 3.912 16.288 ( -1.588 -5.282 0.925) 5.593 16.395 ( -0.704 -1.648 0.838) 1.979 16.614 ( -0.486 -6.235 5.789) 8.522 16.664 ( 5.213 -2.464 -5.656) 8.077 16.970 ( -1.294 2.166 -8.165) 8.546 17.119 ( 2.822 2.520 5.193) 6.425 17.395 ( -2.818 0.963 -5.371) 6.141 21.839 ( 2.236 -3.530 2.708) 4.979 21.967 ( -5.894 -4.643 1.407) 7.634 22.095 ( -1.369 -3.195 -1.623) 3.837 22.300 ( 3.746 -0.490 -0.567) 3.820 22.466 ( -1.428 -0.305 3.810) 4.080 22.510 ( -1.064 -0.663 3.917) 4.113 22.626 ( 0.258 0.419 1.164) 1.264 22.762 ( 0.147 5.683 1.852) 5.979 22.977 ( 2.365 0.919 3.133) 4.032 23.182 ( -2.086 -0.227 -7.654) 7.937 23.530 ( -3.906 -2.547 3.624) 5.905 23.704 ( -0.752 -0.323 13.215) 13.241 23.768 ( 3.602 0.550 -0.799) 3.730 23.939 ( -3.831 -3.000 1.474) 5.084 24.491 ( 3.322 1.939 -3.101) 4.941 25.038 ( 1.440 -5.276 -0.412) 5.484 25.111 ( 0.513 -8.895 12.104) 15.030 25.757 ( 3.754 5.381 -9.990) 11.952 25.946 ( -3.145 -3.886 -9.547) 10.777 26.246 ( -2.145 3.933 -2.934) 5.355 27.221 ( -1.277 -4.898 -1.753) 5.356 27.302 ( -8.177 -2.269 3.367) 9.130 27.534 ( 2.385 -10.800 -6.501) 12.830 27.859 ( 0.867 1.731 -1.042) 2.198 28.110 ( -5.793 -3.128 -2.892) 7.191 28.221 ( 2.484 5.419 -4.794) 7.650 28.508 ( -9.007 -1.388 6.954) 11.463 28.629 ( 2.223 -4.052 3.169) 5.604 28.739 ( 1.517 -2.182 -4.136) 4.916 29.129 ( 8.008 2.074 -14.995) 17.125 29.537 ( 1.167 -11.589 0.317) 11.652 29.744 ( -0.945 3.831 -4.548) 6.021 29.868 ( -3.637 -0.610 3.221) 4.896 30.111 ( 4.460 2.548 1.789) 5.439 30.402 ( 1.232 2.947 3.193) 4.516 30.506 ( -3.772 4.182 4.695) 7.332 31.285 ( -4.220 4.543 0.951) 6.273 31.435 ( 13.767 10.356 16.122) 23.595 31.609 ( -6.149 8.065 -1.053) 10.196 31.746 ( 4.594 1.051 -8.739) 9.929 32.826 ( 4.429 11.389 3.387) 12.680 32.911 ( -6.499 1.504 -0.921) 6.734 33.474 ( 0.559 4.978 -0.284) 5.017 33.945 ( 2.675 0.075 -8.582) 8.989 34.399 ( -2.081 -2.825 10.794) 11.350 34.865 ( 2.081 6.171 9.336) 11.383 35.103 ( 1.049 4.983 -5.669) 7.620 35.467 ( -0.234 0.193 -4.698) 4.708 36.694 ( -4.960 0.358 3.350) 5.996 37.018 ( 1.918 6.512 -3.389) 7.587 37.737 ( -5.791 -4.017 6.637) 9.681 37.935 ( 3.147 -2.038 4.013) 5.492 37.958 ( 0.108 -0.819 3.818) 3.907 38.165 ( -0.634 -1.006 -6.178) 6.291 38.304 ( 0.843 3.999 3.191) 5.185 38.556 ( -5.176 0.996 -1.449) 5.467 38.784 ( 3.565 -1.651 -2.813) 4.832 39.129 ( 5.092 -0.602 -4.259) 6.665 39.412 ( 0.756 -3.314 1.054) 3.559 39.497 ( 1.098 -3.152 -2.245) 4.022 49.134 ( -0.488 -2.736 1.549) 3.181 49.269 ( 1.321 -2.739 -2.129) 3.712 49.519 ( -0.667 1.636 1.804) 2.525 49.614 ( 0.293 2.158 -1.035) 2.411 86.569 ( 0.477 1.402 -0.262) 1.504 86.623 ( -1.014 1.841 -2.512) 3.275 87.305 ( -3.784 -1.627 10.928) 11.679 88.271 ( -3.444 -24.269 -23.318) 33.831 89.333 ( 0.144 -1.552 -0.374) 1.603 89.341 ( -3.611 -2.038 -1.944) 4.580 89.552 ( -3.596 -3.763 3.927) 6.520 89.569 ( 0.470 -0.931 2.302) 2.527 89.954 ( -0.758 -2.274 12.041) 12.278 90.586 ( -2.410 -10.006 8.350) 13.253 91.112 ( 1.615 -3.163 -21.837) 22.124 91.496 ( 4.865 -2.342 -12.968) 14.047 91.941 ( -6.056 2.288 2.781) 7.045 92.469 ( 5.088 7.698 -10.169) 13.732 92.742 ( 4.378 -2.576 15.853) 16.647 93.323 ( 0.108 1.744 -1.674) 2.420 95.323 ( -0.797 1.318 12.185) 12.282 95.787 ( -0.950 1.545 2.543) 3.124 96.094 ( -0.842 -4.222 2.346) 4.903 96.322 ( -6.324 6.107 0.090) 8.792 96.605 ( 1.010 0.081 -2.296) 2.510 96.866 ( 3.545 8.434 2.218) 9.414 97.094 ( -3.481 1.747 7.683) 8.614 98.079 ( 10.909 21.904 -15.494) 28.963 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -30.352 16.903 7.613) 35.566 2.341 ( -8.741 23.245 19.948) 31.854 3.127 ( -4.196 7.738 3.652) 9.530 3.284 ( -11.842 17.289 10.037) 23.235 3.671 ( 6.908 -0.585 3.437) 7.738 3.758 ( 5.578 -1.139 -11.248) 12.607 3.920 ( -2.067 -13.426 7.046) 15.302 4.194 ( 2.469 -2.001 3.451) 4.692 4.332 ( -3.006 4.608 -2.606) 6.088 4.499 ( -1.409 2.481 -4.889) 5.660 4.660 ( 1.245 -6.358 4.120) 7.678 4.750 ( -3.579 5.687 3.886) 7.762 4.934 ( -11.478 -9.272 6.475) 16.114 5.062 ( 0.806 -2.149 0.716) 2.405 5.179 ( -5.175 -5.612 9.674) 12.323 5.261 ( -2.270 -0.146 -2.105) 3.100 5.275 ( 4.008 8.694 -5.754) 11.170 5.536 ( -4.972 -4.148 0.127) 6.477 5.757 ( 0.063 1.278 -4.882) 5.047 5.824 ( 9.422 7.790 3.535) 12.727 5.840 ( 1.557 6.473 -0.133) 6.659 6.058 ( 4.143 3.216 -4.854) 7.146 6.365 ( 2.784 0.422 4.670) 5.453 6.491 ( -0.608 -2.803 -3.187) 4.288 6.642 ( -1.829 -2.816 -2.934) 4.459 6.665 ( 1.550 -11.384 -2.411) 11.739 6.817 ( -5.917 -3.465 -6.990) 9.791 6.954 ( -2.474 -3.342 -4.973) 6.482 7.119 ( -2.787 -0.423 1.982) 3.446 7.271 ( 2.444 -13.620 3.523) 14.279 7.558 ( -8.487 0.568 2.772) 8.946 7.773 ( -0.819 -10.666 -5.722) 12.132 8.069 ( -7.816 -3.160 -4.082) 9.367 8.204 ( 2.216 0.961 4.246) 4.885 8.280 ( -2.405 4.462 -2.658) 5.723 8.697 ( -6.566 -12.679 1.024) 14.315 8.977 ( 18.440 1.529 -8.800) 20.489 9.217 ( 12.442 3.988 1.640) 13.167 9.387 ( 13.349 0.911 -1.894) 13.513 9.757 ( 16.946 -1.015 -2.520) 17.162 10.181 ( 2.228 12.731 5.902) 14.209 10.558 ( -1.476 14.448 -7.329) 16.268 11.879 ( -0.197 2.637 -0.738) 2.746 12.207 ( 7.243 2.230 1.634) 7.753 12.487 ( -6.903 6.551 1.627) 9.655 12.608 ( -4.044 2.895 -2.333) 5.494 12.841 ( 2.703 6.848 1.338) 7.483 12.912 ( 0.012 -0.142 -0.186) 0.234 13.284 ( -1.459 -1.809 3.891) 4.532 13.724 ( 5.355 -2.931 -4.315) 7.476 15.569 ( -1.295 0.388 -0.558) 1.463 15.676 ( -4.656 -2.443 -0.059) 5.259 15.777 ( 1.774 -2.050 -4.112) 4.925 15.887 ( 0.145 -0.903 -0.653) 1.124 16.158 ( -3.400 -5.146 1.987) 6.479 16.284 ( 0.373 -2.660 2.863) 3.926 16.395 ( 0.707 0.539 -1.121) 1.430 16.636 ( -0.106 -5.918 5.424) 8.028 16.747 ( 5.726 -3.697 -3.553) 7.687 16.900 ( -2.262 2.222 -7.965) 8.573 17.184 ( 1.393 1.791 4.315) 4.875 17.321 ( -1.960 0.892 -4.879) 5.333 21.878 ( -3.018 -5.795 2.687) 7.065 21.909 ( 2.081 -2.302 2.445) 3.951 22.099 ( 2.861 -4.151 0.307) 5.051 22.339 ( -1.013 2.273 2.059) 3.230 22.423 ( -5.086 0.010 2.551) 5.690 22.509 ( 2.081 -2.001 0.669) 2.963 22.640 ( 0.419 -2.444 -0.025) 2.480 22.796 ( 1.397 6.813 3.954) 8.000 23.038 ( 1.915 0.493 3.214) 3.774 23.106 ( -2.220 -1.122 -7.256) 7.670 23.490 ( -1.616 -2.680 3.252) 4.513 23.725 ( -3.372 -0.083 11.332) 11.823 23.821 ( 1.878 2.177 0.844) 2.997 23.883 ( -2.273 -1.667 1.144) 3.042 24.536 ( 2.968 0.729 -3.146) 4.386 25.043 ( 1.163 -4.478 -4.199) 6.248 25.170 ( -1.993 -7.832 11.181) 13.796 25.729 ( -1.333 3.009 -12.515) 12.941 25.855 ( -1.387 -6.007 -6.644) 9.064 26.198 ( -1.880 4.672 -0.579) 5.070 26.992 ( -14.367 -1.918 2.251) 14.668 27.307 ( 1.768 -1.055 -0.417) 2.101 27.598 ( 3.890 -13.200 -1.660) 13.861 27.815 ( -6.533 0.865 -3.146) 7.303 27.905 ( -10.187 -4.440 -3.539) 11.662 28.175 ( -6.039 4.990 -2.893) 8.351 28.366 ( -4.766 -3.897 5.333) 8.145 28.655 ( -4.047 -1.880 -10.288) 11.214 28.769 ( 4.875 -3.086 4.197) 7.135 29.254 ( 11.486 -0.713 -12.511) 16.999 29.590 ( 3.325 -11.360 3.548) 12.357 29.749 ( 2.670 9.595 -2.007) 10.160 29.877 ( 2.817 2.650 4.581) 5.995 30.230 ( 5.269 2.084 2.516) 6.200 30.412 ( -0.321 3.190 2.966) 4.368 30.526 ( 2.642 9.482 3.137) 10.331 31.239 ( -0.855 0.170 -0.818) 1.196 31.386 ( -11.472 8.673 -2.918) 14.674 31.743 ( 9.056 8.105 15.946) 20.049 31.869 ( 9.612 1.454 -9.030) 13.269 32.814 ( -3.181 2.078 -0.518) 3.835 32.970 ( 8.197 11.164 6.020) 15.101 33.460 ( -1.959 5.388 0.455) 5.751 33.954 ( 3.008 -2.474 -9.828) 10.572 34.433 ( 0.271 -4.857 10.176) 11.279 34.934 ( 0.541 4.911 9.148) 10.397 35.084 ( 0.208 6.301 -6.303) 8.915 35.427 ( -1.680 -0.938 -6.493) 6.772 36.602 ( -6.238 2.038 5.928) 8.844 37.024 ( 0.904 6.182 -5.699) 8.456 37.685 ( -4.997 -4.783 10.795) 12.821 37.927 ( -2.619 2.677 0.525) 3.781 37.986 ( -0.082 -0.732 1.554) 1.720 38.174 ( 2.519 -2.854 -2.613) 4.617 38.301 ( -1.066 3.985 0.683) 4.182 38.559 ( 6.392 0.304 -1.888) 6.672 38.804 ( 0.278 -3.124 -4.639) 5.600 39.184 ( 2.257 -2.619 -2.743) 4.413 39.454 ( 3.391 -0.221 0.818) 3.495 39.522 ( 2.694 -1.702 -2.717) 4.188 49.137 ( 0.090 -2.490 1.425) 2.870 49.281 ( 0.863 -3.017 -1.952) 3.695 49.514 ( -0.567 1.394 1.344) 2.018 49.607 ( -0.610 1.845 -0.850) 2.122 86.568 ( 0.214 1.572 -0.824) 1.788 86.599 ( -0.632 1.852 -1.262) 2.329 87.206 ( -11.260 -2.226 8.878) 14.511 87.859 ( -26.337 -20.936 -23.465) 41.019 89.311 ( 2.280 -0.862 1.345) 2.785 89.390 ( 2.849 -1.990 1.034) 3.626 89.530 ( -0.782 -4.226 6.199) 7.543 89.611 ( 1.793 0.635 2.549) 3.181 90.026 ( 1.618 -2.061 13.481) 13.734 90.571 ( -3.255 -8.672 7.925) 12.190 91.043 ( 2.276 -4.723 -21.347) 21.981 91.515 ( 2.924 1.424 -9.774) 10.301 91.901 ( 0.330 -1.871 1.738) 2.575 92.539 ( 6.859 7.850 -8.149) 13.232 92.867 ( 1.611 -3.275 12.735) 13.248 93.296 ( -1.158 0.886 -5.813) 5.993 95.365 ( -1.307 2.082 12.474) 12.714 95.789 ( -0.175 2.015 2.922) 3.553 96.089 ( -1.099 -3.831 3.202) 5.112 96.225 ( -3.701 6.542 0.177) 7.519 96.631 ( 3.099 -1.729 -1.761) 3.962 96.938 ( 2.197 7.033 3.470) 8.144 97.049 ( -5.083 2.614 7.527) 9.451 98.254 ( 16.518 22.317 -20.839) 34.715 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -13.498 26.362 15.958) 33.642 2.316 ( -4.882 25.833 22.354) 34.509 3.006 ( -6.750 7.931 -10.463) 14.762 3.143 ( -10.042 24.682 24.939) 36.496 3.702 ( -4.796 -3.892 -0.393) 6.189 3.730 ( -1.624 2.930 -5.701) 6.612 4.011 ( 6.974 -5.476 5.475) 10.421 4.249 ( 0.231 -4.873 -1.977) 5.263 4.299 ( 3.711 -4.607 3.462) 6.854 4.527 ( -0.471 -1.187 -3.995) 4.194 4.666 ( 0.100 -0.402 -1.713) 1.763 4.710 ( -5.841 1.083 12.123) 13.500 4.761 ( -5.793 -4.079 1.737) 7.294 4.975 ( -5.831 -4.323 -1.943) 7.514 5.099 ( -6.474 -2.959 -2.194) 7.449 5.263 ( 5.299 -6.356 5.708) 10.053 5.336 ( 0.664 4.428 1.435) 4.701 5.482 ( 0.109 0.141 -4.322) 4.325 5.753 ( 1.608 0.007 -3.963) 4.276 5.860 ( -0.572 5.199 -3.717) 6.416 6.026 ( 8.422 -1.715 -1.570) 8.737 6.087 ( 1.079 -0.622 -0.980) 1.584 6.371 ( -3.545 -5.588 10.242) 12.194 6.386 ( -3.389 3.255 -4.941) 6.819 6.552 ( -4.928 -5.576 -13.479) 15.397 6.721 ( 3.323 -9.299 3.036) 10.331 6.818 ( 2.422 -4.198 0.163) 4.850 6.861 ( -2.913 -7.915 -3.394) 9.092 7.019 ( -4.303 -3.712 4.691) 7.369 7.345 ( 3.292 6.074 -7.501) 10.198 7.473 ( -4.487 -0.854 1.195) 4.722 7.796 ( 8.926 -10.541 -3.195) 14.177 7.882 ( -8.828 1.389 -4.448) 9.982 8.245 ( 0.993 7.479 0.904) 7.599 8.274 ( -0.085 0.117 4.540) 4.542 8.557 ( -9.100 -11.680 1.132) 14.850 9.252 ( 13.125 2.051 -5.700) 14.455 9.409 ( 7.308 7.605 -3.113) 10.997 9.663 ( 15.571 1.671 2.167) 15.809 9.990 ( 7.671 -3.760 -1.604) 8.693 10.256 ( 2.985 11.064 3.017) 11.850 10.517 ( 2.058 12.162 -8.282) 14.858 11.937 ( 6.545 1.604 -0.261) 6.744 12.263 ( -6.829 -2.953 2.001) 7.704 12.394 ( 1.173 8.348 0.659) 8.456 12.545 ( -2.334 3.826 -0.154) 4.484 12.878 ( 0.444 4.296 1.032) 4.441 12.910 ( -0.263 -1.419 0.095) 1.446 13.292 ( 0.241 0.409 5.007) 5.030 13.784 ( 3.220 -1.522 -5.730) 6.746 15.539 ( -1.559 -0.637 -0.452) 1.744 15.598 ( -3.227 -2.064 -0.174) 3.835 15.798 ( 2.356 -1.141 -3.167) 4.109 15.869 ( -1.374 -0.699 -1.531) 2.173 16.106 ( -2.537 -4.784 1.555) 5.634 16.319 ( 1.390 -2.836 4.421) 5.434 16.403 ( 1.100 1.550 -3.055) 3.598 16.647 ( -1.468 -5.303 3.858) 6.720 16.797 ( -2.363 -1.863 -4.330) 5.272 16.847 ( 3.839 -0.159 -5.709) 6.882 17.205 ( -0.227 1.372 1.997) 2.433 17.299 ( 1.150 0.724 -2.036) 2.448 21.843 ( -1.857 -5.625 3.750) 7.011 21.976 ( 3.636 -3.096 2.166) 5.244 22.192 ( 4.957 -4.757 2.449) 7.294 22.298 ( -2.899 2.555 1.216) 4.052 22.341 ( -4.040 1.361 1.928) 4.678 22.558 ( 0.643 -0.870 2.552) 2.771 22.647 ( 1.388 -4.188 -2.322) 4.986 22.822 ( -0.908 5.332 3.682) 6.544 23.036 ( -1.498 -1.563 -2.176) 3.070 23.074 ( 0.536 -2.100 -0.581) 2.244 23.500 ( 0.602 -1.896 2.736) 3.383 23.678 ( -6.105 -0.415 6.765) 9.122 23.841 ( -0.128 2.916 1.492) 3.278 23.887 ( 1.331 0.030 3.095) 3.369 24.563 ( 1.299 0.332 -3.070) 3.350 25.052 ( 1.776 -5.150 -3.298) 6.368 25.121 ( -6.234 -4.930 4.512) 9.140 25.615 ( -3.456 0.920 -12.746) 13.238 25.849 ( 2.398 -7.137 -2.722) 8.006 26.173 ( -0.882 4.370 0.605) 4.499 26.809 ( -7.314 1.236 8.246) 11.091 27.336 ( 1.555 -1.532 -1.452) 2.621 27.542 ( -9.758 -0.102 -3.228) 10.278 27.673 ( -4.238 -7.746 -0.962) 8.881 27.748 ( -3.687 -4.032 -5.371) 7.662 28.094 ( -1.752 4.223 2.009) 4.993 28.372 ( 1.348 -5.747 5.409) 8.006 28.529 ( -2.914 -8.957 -8.304) 12.557 28.852 ( 4.061 2.310 -5.078) 6.900 29.371 ( 6.195 -8.168 -11.314) 15.268 29.681 ( 4.011 -8.313 6.512) 11.296 29.805 ( 2.868 12.574 2.807) 13.199 29.990 ( 6.014 7.214 2.948) 9.844 30.239 ( -5.565 0.388 5.135) 7.583 30.480 ( 5.186 5.455 0.372) 7.536 30.588 ( 3.200 10.266 -0.551) 10.767 31.165 ( -6.832 4.067 -3.606) 8.730 31.282 ( 1.858 1.599 0.491) 2.500 31.890 ( 0.822 5.438 8.224) 9.894 31.973 ( 4.267 4.875 -4.585) 7.936 32.811 ( 2.308 2.359 3.945) 5.144 33.152 ( 7.428 9.835 6.732) 14.044 33.407 ( -4.237 5.640 0.969) 7.121 33.968 ( 4.226 -5.056 -12.684) 14.293 34.492 ( 0.886 -5.823 9.466) 11.149 34.956 ( -2.913 1.594 8.866) 9.468 35.050 ( -1.747 6.675 -5.380) 8.750 35.358 ( -0.392 -1.592 -8.701) 8.854 36.543 ( -3.891 4.383 8.513) 10.336 37.007 ( 0.953 8.697 -7.649) 11.621 37.626 ( -7.332 -5.694 12.289) 15.402 37.874 ( -1.698 4.021 -3.221) 5.425 38.016 ( 2.678 -0.665 3.693) 4.610 38.192 ( -0.273 -3.049 2.452) 3.922 38.321 ( 3.823 2.154 -5.217) 6.817 38.689 ( 6.245 2.049 -10.466) 12.358 38.772 ( 0.242 -7.266 1.948) 7.526 39.181 ( -1.098 -3.877 -2.955) 4.997 39.519 ( 2.261 1.754 -0.481) 2.901 39.565 ( 3.582 0.315 -3.417) 4.960 49.149 ( 0.461 -2.175 1.369) 2.611 49.280 ( -0.072 -3.049 -1.638) 3.462 49.513 ( -0.090 1.267 0.899) 1.556 49.583 ( -1.483 1.718 -0.677) 2.368 86.587 ( -0.312 1.518 -0.154) 1.558 86.595 ( 3.697 1.921 -1.173) 4.328 87.018 ( -11.322 -1.784 5.396) 12.669 87.267 ( -24.337 -8.660 -11.440) 28.252 89.374 ( 3.062 -1.316 0.606) 3.387 89.432 ( 0.997 -2.143 0.798) 2.495 89.582 ( 2.834 -4.573 6.495) 8.434 89.648 ( 0.915 0.324 2.517) 2.698 90.124 ( 1.594 -3.864 15.154) 15.720 90.537 ( -5.180 -9.562 10.223) 14.925 91.011 ( 4.866 -5.955 -20.503) 21.898 91.528 ( 3.307 4.418 -8.012) 9.729 91.946 ( 3.329 -3.871 0.854) 5.177 92.625 ( 5.187 8.389 -5.878) 11.482 92.908 ( -2.672 -2.792 8.197) 9.062 93.236 ( -1.151 -2.240 -8.948) 9.296 95.379 ( -3.378 1.962 11.576) 12.218 95.801 ( 0.178 2.891 1.461) 3.244 96.086 ( -1.161 -3.363 4.628) 5.837 96.203 ( 0.517 6.596 3.355) 7.418 96.696 ( 4.341 -3.612 -1.676) 5.891 96.946 ( -6.153 5.535 12.799) 15.242 97.013 ( 0.568 4.854 0.173) 4.890 98.435 ( 14.008 20.069 -29.704) 38.488 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 9.815 26.422 16.313) 32.567 2.826 ( -2.415 22.236 7.422) 23.567 3.171 ( 4.901 12.755 -3.345) 14.068 3.366 ( 10.760 -5.480 1.094) 12.125 3.503 ( -9.311 -1.687 -3.020) 9.933 3.870 ( -1.349 10.107 12.057) 15.791 3.971 ( 0.366 -11.075 -7.448) 13.351 4.155 ( -3.026 -5.779 3.513) 7.409 4.222 ( 0.061 -4.075 -3.300) 5.244 4.322 ( 2.953 -2.333 -1.190) 3.946 4.630 ( -6.579 0.448 15.100) 16.477 4.748 ( -8.363 4.075 2.447) 9.619 4.803 ( -0.474 0.781 0.680) 1.139 4.862 ( 6.063 4.699 -0.677) 7.701 4.968 ( -0.990 -2.219 1.448) 2.828 5.206 ( -3.455 -7.772 -2.349) 8.824 5.341 ( -5.324 1.868 -6.995) 8.987 5.506 ( 1.866 -2.027 -2.144) 3.491 5.711 ( 0.752 -4.848 -5.138) 7.104 5.788 ( 2.291 -2.511 1.649) 3.778 5.968 ( -1.711 -1.142 -1.485) 2.537 6.018 ( -2.861 1.997 -5.753) 6.729 6.259 ( -4.677 -1.923 -0.188) 5.060 6.284 ( -0.000 -8.554 1.739) 8.729 6.538 ( -6.568 -4.715 3.557) 8.833 6.569 ( 2.514 5.847 2.053) 6.688 6.690 ( 3.929 -5.704 -2.333) 7.309 6.812 ( 2.270 -3.938 -1.779) 4.881 7.061 ( 7.330 -1.713 7.394) 10.551 7.368 ( -2.368 1.879 0.893) 3.152 7.577 ( 7.476 2.635 -3.541) 8.681 7.793 ( 4.913 -0.831 -5.911) 7.731 7.836 ( -0.530 0.877 4.060) 4.187 8.165 ( -10.129 -6.432 -2.180) 12.195 8.244 ( -6.381 -1.127 3.142) 7.201 8.458 ( 6.320 4.238 0.019) 7.609 9.364 ( 2.907 -2.002 -3.442) 4.930 9.521 ( -4.244 1.864 -8.617) 9.784 9.906 ( -4.926 -0.157 3.722) 6.176 10.029 ( 7.562 3.890 -1.788) 8.690 10.448 ( -1.269 5.704 1.889) 6.141 10.750 ( 7.088 6.397 -8.019) 12.469 12.047 ( -3.842 -1.160 1.280) 4.212 12.093 ( 1.485 -0.459 -1.016) 1.857 12.509 ( 2.275 1.303 3.638) 4.484 12.599 ( -0.493 3.184 0.348) 3.241 12.836 ( -0.109 -2.083 1.584) 2.619 12.972 ( -1.545 4.487 -3.106) 5.672 13.392 ( 2.432 2.630 5.415) 6.492 13.740 ( -1.347 -2.213 -5.326) 5.923 15.494 ( -0.174 -0.905 0.279) 0.963 15.545 ( 0.416 -0.896 -0.635) 1.174 15.796 ( -2.230 -0.929 -2.066) 3.179 15.830 ( 2.763 -0.727 -3.298) 4.364 16.029 ( 0.446 -2.556 4.785) 5.443 16.290 ( -1.040 -3.366 7.081) 7.909 16.448 ( 0.880 1.851 -2.655) 3.354 16.523 ( -3.614 -2.751 0.702) 4.596 16.696 ( -2.208 -1.150 -7.947) 8.328 16.905 ( 5.675 0.284 -6.785) 8.850 17.225 ( -2.550 1.382 1.778) 3.402 17.348 ( 4.369 0.310 -1.065) 4.508 21.762 ( -0.231 -2.793 5.028) 5.757 22.006 ( 3.612 -1.426 0.522) 3.918 22.158 ( 1.323 -2.995 2.041) 3.858 22.286 ( -3.702 1.326 -0.579) 3.975 22.343 ( -2.055 -0.455 3.487) 4.073 22.565 ( 3.614 -0.973 5.869) 6.961 22.596 ( -0.849 -1.225 -3.931) 4.204 22.868 ( -4.439 3.756 0.997) 5.900 22.978 ( -3.541 -1.903 0.373) 4.037 23.026 ( 4.974 -2.568 -1.484) 5.791 23.510 ( 1.547 -0.422 1.665) 2.312 23.568 ( -7.083 -0.648 6.441) 9.595 23.891 ( -1.829 2.538 -1.793) 3.605 23.941 ( 2.080 -0.184 5.026) 5.442 24.581 ( 0.431 1.813 -2.519) 3.133 24.921 ( -5.281 -5.168 5.831) 9.412 25.008 ( -0.091 -2.661 -3.515) 4.409 25.519 ( 3.166 -1.137 -12.142) 12.599 25.784 ( 3.231 -3.508 -4.610) 6.633 26.235 ( 1.514 2.268 -3.353) 4.321 26.870 ( 2.602 3.135 11.994) 12.667 27.341 ( -2.982 1.506 0.272) 3.352 27.422 ( 0.816 2.139 -2.367) 3.293 27.624 ( 6.311 -3.744 2.864) 7.877 27.658 ( 1.538 -1.121 -4.852) 5.212 27.959 ( -7.117 -7.728 -2.387) 10.773 28.290 ( -1.288 -6.824 4.854) 8.472 28.476 ( 3.117 9.277 -6.953) 12.005 28.933 ( 3.518 -1.998 -9.567) 10.387 29.129 ( 0.546 -8.556 -14.861) 17.157 29.613 ( 1.881 -9.072 17.917) 20.171 30.100 ( -1.282 7.405 3.697) 8.375 30.168 ( -6.086 3.218 2.307) 7.261 30.255 ( 2.918 8.501 -3.268) 9.563 30.664 ( 2.535 5.841 -5.091) 8.152 30.715 ( -1.227 2.799 -3.880) 4.939 31.149 ( 0.427 1.304 0.989) 1.692 31.286 ( -1.967 -2.069 1.661) 3.303 31.935 ( -8.189 3.407 14.360) 16.878 32.209 ( 6.281 10.117 -3.450) 12.398 32.914 ( 2.193 -0.885 8.082) 8.421 33.382 ( -4.407 6.987 -0.149) 8.262 33.481 ( 0.333 5.119 -2.304) 5.623 33.834 ( 5.338 -8.201 -10.933) 14.672 34.448 ( 0.544 -3.840 12.431) 13.022 34.918 ( -8.859 1.943 5.902) 10.822 35.040 ( -1.940 1.474 -4.530) 5.144 35.347 ( 6.247 -1.728 -8.430) 10.633 36.635 ( -2.047 4.984 10.896) 12.156 37.162 ( 2.379 5.615 -2.222) 6.490 37.446 ( -4.901 -5.240 11.720) 13.741 37.898 ( -0.030 1.563 -1.654) 2.276 38.080 ( 2.621 -1.946 1.260) 3.499 38.160 ( 2.189 -1.479 2.389) 3.562 38.355 ( -2.789 1.093 -5.955) 6.666 38.629 ( -0.914 0.641 -7.611) 7.693 38.766 ( 5.337 -5.352 -0.101) 7.559 39.061 ( -1.189 -2.661 -4.721) 5.548 39.543 ( -3.079 1.713 -2.138) 4.121 39.612 ( 1.493 -0.018 -2.888) 3.251 49.128 ( 0.071 -1.247 1.167) 1.709 49.226 ( -0.201 -1.336 -1.679) 2.155 49.538 ( -0.021 0.937 1.046) 1.404 49.592 ( -0.194 1.055 -0.544) 1.203 86.590 ( -2.547 0.831 1.601) 3.121 86.730 ( 5.179 2.999 -2.776) 6.597 86.839 ( -6.348 -0.796 1.721) 6.626 86.972 ( 5.996 -4.570 -1.946) 7.786 89.385 ( -0.685 -0.952 -0.089) 1.176 89.407 ( 1.426 -1.355 0.020) 1.967 89.608 ( 4.123 -2.544 6.116) 7.803 89.662 ( -1.394 0.377 1.474) 2.063 90.093 ( -1.789 -5.779 9.126) 10.949 90.336 ( -8.384 -2.805 15.774) 18.083 90.920 ( 6.982 -4.215 -20.254) 21.834 91.613 ( 6.175 0.715 -17.898) 18.946 91.986 ( 3.515 -0.660 10.649) 11.234 92.731 ( -5.249 1.354 2.320) 5.896 92.863 ( 1.239 1.751 -6.292) 6.647 93.153 ( -0.495 -0.168 -10.570) 10.583 95.387 ( -6.464 1.794 14.976) 16.410 95.868 ( -0.816 2.832 3.163) 4.323 96.012 ( -0.543 -3.552 1.898) 4.064 96.399 ( 4.780 5.960 -3.407) 8.365 96.656 ( 0.520 -3.647 4.350) 5.700 97.020 ( -4.649 5.013 17.201) 18.510 97.122 ( 0.430 3.083 1.288) 3.369 98.683 ( 2.633 7.168 -30.892) 31.822 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 16.854 19.609 14.149) 29.475 2.825 ( 0.481 18.628 2.176) 18.761 3.251 ( 3.798 20.779 -5.562) 21.844 3.331 ( -4.001 -2.743 -3.009) 5.708 3.587 ( 7.298 -1.332 -0.605) 7.443 3.835 ( -11.107 -10.323 -6.180) 16.374 3.964 ( 3.278 6.020 18.046) 19.304 4.071 ( 1.823 -11.610 -6.921) 13.639 4.280 ( -0.091 7.542 7.009) 10.297 4.352 ( -0.672 1.547 1.838) 2.495 4.600 ( 0.447 -7.987 10.838) 13.471 4.716 ( 3.634 4.836 2.036) 6.383 4.819 ( -0.619 -3.267 2.336) 4.064 4.901 ( 1.400 -1.189 -4.365) 4.736 5.044 ( -3.568 -4.649 9.965) 11.560 5.093 ( 3.967 1.174 -9.151) 10.043 5.262 ( 1.627 -2.575 -6.187) 6.896 5.565 ( 3.782 -0.395 2.287) 4.437 5.734 ( 1.256 0.077 -6.621) 6.739 5.824 ( -0.494 -6.479 7.013) 9.560 5.897 ( -0.798 2.876 -6.290) 6.962 6.013 ( 3.638 -0.774 -1.860) 4.159 6.162 ( -4.830 1.745 -2.229) 5.598 6.334 ( 2.948 -11.667 2.992) 12.400 6.464 ( -1.004 -1.910 -0.599) 2.239 6.609 ( 0.210 5.072 4.133) 6.546 6.709 ( -0.324 -4.687 -6.178) 7.762 6.914 ( 8.417 -6.298 1.663) 10.643 7.204 ( 3.433 -0.450 7.332) 8.108 7.320 ( -2.981 6.537 -1.382) 7.316 7.677 ( 4.354 -0.462 -2.806) 5.200 7.726 ( -5.488 4.494 1.328) 7.217 7.892 ( -3.257 -7.686 -3.830) 9.184 8.055 ( 4.990 -5.138 -2.077) 7.457 8.136 ( -6.595 -2.732 3.437) 7.923 8.588 ( 7.361 4.038 -0.352) 8.403 9.256 ( -14.108 2.284 -7.911) 16.336 9.361 ( -6.021 -3.295 -3.586) 7.744 9.732 ( -12.720 1.466 2.577) 13.061 10.006 ( -10.118 1.147 -1.397) 10.278 10.444 ( -0.639 4.818 2.952) 5.687 10.853 ( 7.002 6.881 -8.376) 12.905 11.944 ( -4.184 4.302 -0.231) 6.005 12.170 ( 3.792 -5.783 0.332) 6.923 12.583 ( 1.365 5.618 0.947) 5.858 12.623 ( 5.079 1.413 1.881) 5.597 12.855 ( 1.459 -1.391 1.743) 2.665 12.930 ( -1.341 3.654 -2.728) 4.753 13.431 ( -1.335 3.737 5.154) 6.505 13.657 ( -4.223 -3.490 -5.440) 7.720 15.524 ( 3.064 -0.482 0.164) 3.106 15.576 ( 2.877 -1.152 -0.419) 3.127 15.744 ( -1.739 -1.116 -2.096) 2.943 15.861 ( 1.740 -0.608 -3.207) 3.700 16.071 ( 1.255 -1.715 5.651) 6.038 16.289 ( -2.598 -4.547 6.446) 8.305 16.408 ( -3.737 -2.538 -3.048) 5.450 16.491 ( 0.393 2.083 1.599) 2.655 16.634 ( -0.618 -2.294 -7.180) 7.563 16.974 ( 4.990 1.183 -7.007) 8.683 17.169 ( -3.755 1.005 0.887) 3.987 17.432 ( 4.612 0.609 -1.555) 4.905 21.777 ( -0.919 -2.239 4.387) 5.010 22.060 ( 2.216 -1.656 -2.282) 3.587 22.196 ( 1.994 -0.628 1.232) 2.427 22.228 ( -3.593 -0.219 3.601) 5.092 22.317 ( -0.490 -2.326 2.182) 3.227 22.517 ( -4.716 -1.121 -3.284) 5.855 22.675 ( 2.392 0.329 6.677) 7.100 22.789 ( -3.201 1.911 -1.013) 3.863 22.926 ( -1.161 -1.385 0.504) 1.876 23.158 ( 7.928 -1.519 0.607) 8.096 23.494 ( -2.995 -0.834 5.071) 5.948 23.538 ( 0.071 0.108 2.675) 2.679 23.826 ( -3.909 1.706 -1.662) 4.577 23.986 ( -0.165 -1.048 5.131) 5.240 24.564 ( -1.044 3.602 -2.330) 4.415 24.840 ( -5.657 -6.645 5.930) 10.551 25.003 ( 0.740 -4.188 -3.472) 5.490 25.569 ( 7.324 3.121 -8.941) 11.972 25.853 ( 6.808 -5.577 -7.309) 11.440 26.265 ( 3.460 2.170 -4.025) 5.735 27.018 ( 6.270 4.821 12.202) 14.541 27.280 ( -1.045 1.030 -0.488) 1.547 27.516 ( 3.845 1.225 -1.212) 4.214 27.640 ( 4.698 0.752 -9.553) 10.673 27.775 ( 4.674 -6.725 4.103) 9.160 27.934 ( 7.555 -3.680 -0.634) 8.427 28.277 ( -1.736 -8.264 2.061) 8.692 28.490 ( 1.214 4.304 -4.156) 6.106 28.956 ( 3.258 1.270 -9.811) 10.415 29.073 ( 1.482 -9.631 -14.386) 17.376 29.655 ( -7.964 -8.089 18.394) 21.615 30.027 ( -7.175 2.621 0.225) 7.642 30.100 ( 0.066 5.789 1.502) 5.981 30.253 ( -2.384 6.909 -2.985) 7.894 30.572 ( -7.430 2.663 -5.433) 9.582 30.746 ( 2.698 4.541 3.382) 6.272 31.125 ( -3.530 4.092 -0.080) 5.405 31.297 ( 3.087 -4.164 -0.533) 5.210 31.818 ( -10.156 4.656 9.649) 14.762 32.279 ( 1.752 14.284 0.962) 14.423 32.994 ( 1.320 -5.058 10.590) 11.810 33.240 ( -8.963 6.608 -3.433) 11.652 33.465 ( -0.188 2.909 -3.865) 4.841 33.902 ( 6.218 -4.752 -10.013) 12.709 34.511 ( -1.016 -1.184 14.175) 14.260 34.789 ( -6.051 3.531 4.195) 8.166 35.025 ( 2.153 -0.450 -5.480) 5.905 35.425 ( 5.583 -1.551 -5.951) 8.306 36.656 ( -0.990 5.077 10.121) 11.366 37.188 ( 1.818 6.652 -3.168) 7.589 37.457 ( 0.644 -4.088 10.143) 10.955 37.905 ( -0.318 -0.480 2.743) 2.803 38.117 ( 1.266 -1.416 0.944) 2.121 38.220 ( -4.445 -0.954 -3.989) 6.048 38.241 ( 1.271 -3.272 -2.071) 4.076 38.605 ( 1.824 3.620 -5.920) 7.174 38.833 ( 1.263 -5.282 1.189) 5.560 39.023 ( 0.269 -0.833 -6.630) 6.687 39.437 ( -6.558 0.457 -0.793) 6.622 39.597 ( -1.849 -0.076 -2.064) 2.772 49.126 ( -0.983 -1.359 1.441) 2.211 49.216 ( 0.051 -1.226 -1.884) 2.248 49.543 ( 0.057 1.359 1.184) 1.803 49.599 ( 1.162 0.838 -0.685) 1.588 86.552 ( -1.505 0.769 0.503) 1.763 86.701 ( -2.647 0.454 -0.441) 2.721 86.918 ( 9.770 4.633 0.669) 10.833 87.227 ( 20.078 -9.969 -4.300) 22.826 89.350 ( -2.334 -1.240 -0.504) 2.691 89.436 ( 1.125 -1.195 0.863) 1.854 89.620 ( -2.931 0.242 0.937) 3.086 89.698 ( 2.138 -2.505 1.942) 3.823 90.068 ( -5.203 -8.362 6.313) 11.698 90.274 ( -6.570 -2.541 20.754) 21.917 90.971 ( 8.205 -4.191 -18.456) 20.628 91.613 ( 3.579 0.354 -21.894) 22.187 92.128 ( 5.553 0.199 13.482) 14.582 92.600 ( -9.675 0.713 2.834) 10.106 92.778 ( -4.086 4.736 -13.487) 14.867 93.173 ( 5.011 -1.680 -3.567) 6.376 95.339 ( -6.095 1.484 15.032) 16.289 95.861 ( -1.360 2.503 2.819) 4.007 96.011 ( -0.372 -3.703 1.418) 3.983 96.479 ( 6.107 3.803 -5.589) 9.110 96.650 ( -3.824 -0.342 7.384) 8.322 97.037 ( -1.876 5.210 10.752) 12.094 97.123 ( -2.020 2.284 7.093) 7.721 98.536 ( -2.211 8.883 -28.782) 30.203 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 11.539 14.009 8.400) 19.999 2.873 ( 3.871 14.318 0.345) 14.836 3.177 ( -3.048 7.177 -6.799) 10.345 3.372 ( 1.690 9.508 -0.033) 9.657 3.574 ( -6.346 -6.719 -1.873) 9.430 3.616 ( -6.065 2.889 -5.258) 8.531 4.026 ( -1.301 -15.128 -5.288) 16.078 4.171 ( 2.521 1.813 1.775) 3.577 4.197 ( -3.586 1.259 17.974) 18.371 4.473 ( 5.157 1.931 5.750) 7.962 4.714 ( 2.992 -4.288 6.325) 8.206 4.817 ( 5.784 -4.826 1.158) 7.621 4.845 ( 4.356 8.949 6.250) 11.752 4.903 ( 0.811 -1.776 -1.326) 2.361 4.994 ( 3.223 -0.311 -3.296) 4.621 5.240 ( 9.110 1.468 1.780) 9.397 5.340 ( 6.609 -0.804 -1.624) 6.853 5.588 ( -4.875 3.168 3.352) 6.711 5.703 ( 2.575 -2.040 -4.840) 5.850 5.859 ( 3.720 1.587 -4.331) 5.925 5.930 ( 3.439 1.570 2.082) 4.316 6.001 ( -4.901 0.490 -1.059) 5.038 6.181 ( 8.464 2.119 0.879) 8.769 6.389 ( 1.048 -8.418 3.717) 9.261 6.479 ( 1.719 -2.151 -4.718) 5.463 6.575 ( -7.101 0.276 3.746) 8.033 6.686 ( 2.461 -3.868 -1.587) 4.851 7.087 ( 8.208 -6.661 2.114) 10.780 7.160 ( -7.088 3.559 3.428) 8.640 7.337 ( 3.412 1.546 -4.599) 5.932 7.630 ( -6.098 -1.305 0.500) 6.256 7.717 ( 1.409 -2.846 0.861) 3.290 7.786 ( -2.649 -6.924 -4.857) 8.863 8.045 ( -6.600 -8.517 7.277) 13.003 8.211 ( 10.540 0.045 -2.662) 10.871 8.701 ( 5.209 2.874 -3.178) 6.745 8.913 ( -15.042 1.399 -11.514) 18.994 9.225 ( -7.902 -5.609 -0.304) 9.695 9.512 ( -11.088 3.093 1.230) 11.577 9.721 ( -17.810 0.809 -2.185) 17.961 10.420 ( -4.212 4.996 6.060) 8.912 10.910 ( 3.634 7.888 -9.118) 12.592 11.910 ( 0.454 5.513 -0.469) 5.551 12.204 ( -0.225 -5.084 -0.858) 5.161 12.604 ( 1.627 7.327 0.634) 7.532 12.745 ( 5.902 2.527 1.052) 6.506 12.889 ( 0.163 0.133 0.093) 0.230 12.917 ( 1.944 2.799 -0.409) 3.432 13.387 ( -4.715 3.102 2.474) 6.162 13.561 ( -3.785 -5.221 -3.128) 7.167 15.586 ( 2.629 0.173 -0.347) 2.658 15.630 ( 3.155 -1.394 -0.757) 3.531 15.735 ( 2.120 -0.759 -1.360) 2.631 15.857 ( -0.665 -0.962 -3.120) 3.332 16.118 ( 0.605 -1.232 6.364) 6.510 16.257 ( -3.625 -4.798 5.441) 8.110 16.343 ( -1.761 -2.976 -0.435) 3.485 16.513 ( 0.994 0.639 0.540) 1.299 16.601 ( 0.256 -2.233 -6.190) 6.585 17.022 ( 3.905 1.461 -7.510) 8.590 17.113 ( -2.394 1.092 0.883) 2.776 17.484 ( 2.038 0.773 -3.069) 3.765 21.766 ( -1.773 -1.811 2.846) 3.810 22.069 ( 0.830 -1.922 -4.651) 5.100 22.158 ( -6.609 -2.164 5.548) 8.896 22.236 ( 1.667 1.736 -0.762) 2.525 22.356 ( 2.385 -3.466 0.283) 4.217 22.443 ( -1.190 -0.551 2.355) 2.695 22.681 ( -2.239 1.244 2.717) 3.734 22.758 ( -0.711 -0.914 1.405) 1.821 22.956 ( 2.222 1.189 2.379) 3.466 23.271 ( 3.874 0.174 -2.871) 4.825 23.513 ( 1.895 -1.176 6.909) 7.260 23.548 ( -0.405 -0.040 3.908) 3.929 23.748 ( -3.457 0.475 -0.560) 3.534 23.979 ( -2.958 -2.037 5.134) 6.265 24.531 ( -1.026 4.372 -1.634) 4.779 24.791 ( -2.695 -7.882 7.135) 10.968 24.995 ( -0.250 -4.342 -1.437) 4.581 25.687 ( 9.172 5.123 -7.934) 13.165 25.940 ( 6.518 -5.348 -11.385) 14.167 26.312 ( 3.696 1.959 -5.525) 6.930 27.135 ( -0.744 7.074 6.348) 9.534 27.319 ( 6.131 -3.230 -0.922) 6.991 27.482 ( -2.324 -5.510 -2.436) 6.457 27.791 ( 9.099 0.654 -2.142) 9.370 27.858 ( 5.281 1.422 -0.107) 5.470 28.169 ( 14.703 0.557 1.730) 14.815 28.262 ( 0.285 -6.862 -0.027) 6.868 28.500 ( 2.289 -4.509 -2.573) 5.674 28.937 ( -0.699 5.245 -8.031) 9.618 29.058 ( 2.952 -7.446 -13.367) 15.583 29.506 ( -14.182 -8.380 12.993) 20.981 29.894 ( -5.801 0.633 -2.981) 6.553 30.145 ( 0.986 3.743 4.203) 5.714 30.152 ( -6.260 5.474 -2.825) 8.782 30.411 ( -5.891 1.443 -3.242) 6.877 30.753 ( -7.222 -0.154 10.260) 12.548 31.115 ( 6.122 8.212 -3.050) 10.688 31.376 ( 5.246 -2.962 0.658) 6.061 31.668 ( -9.468 5.274 4.946) 11.913 32.261 ( -5.737 14.842 4.273) 16.476 33.028 ( -5.231 -6.343 7.961) 11.445 33.077 ( -3.472 5.992 -2.782) 7.463 33.458 ( 1.872 2.558 -4.918) 5.851 33.946 ( 3.506 -2.054 -9.514) 10.345 34.505 ( -6.285 2.116 12.164) 13.854 34.787 ( 3.045 5.302 6.821) 9.160 35.055 ( 4.068 -1.998 -7.009) 8.346 35.483 ( 2.743 -1.025 -3.438) 4.516 36.691 ( 0.062 3.015 8.114) 8.656 37.196 ( 0.739 7.611 -4.419) 8.832 37.561 ( 5.916 -2.881 8.270) 10.569 37.889 ( -3.464 -2.196 4.921) 6.406 38.013 ( -10.483 -4.464 -2.840) 11.743 38.178 ( 3.469 1.738 0.750) 3.952 38.299 ( 2.136 -2.901 -2.095) 4.167 38.643 ( 4.095 4.132 -2.046) 6.167 38.812 ( -3.852 -2.330 0.508) 4.530 39.019 ( 3.038 -0.239 -7.596) 8.184 39.335 ( -3.788 -2.551 0.590) 4.605 39.533 ( -3.754 -0.801 -1.838) 4.256 49.110 ( -1.359 -1.529 1.689) 2.653 49.213 ( 0.612 -1.250 -2.203) 2.606 49.550 ( -0.109 1.371 1.550) 2.072 49.621 ( 1.475 0.929 -0.993) 2.006 86.548 ( 0.870 0.889 0.136) 1.251 86.678 ( -0.225 0.404 -0.049) 0.464 87.121 ( 10.677 6.331 1.639) 12.521 87.582 ( 19.930 -15.694 -8.020) 26.605 89.309 ( -1.640 -1.191 -0.404) 2.067 89.448 ( -0.383 -1.347 0.498) 1.486 89.568 ( -2.837 -0.423 0.923) 3.013 89.684 ( -4.230 -3.223 -0.728) 5.368 89.978 ( -6.662 -4.494 6.841) 10.553 90.299 ( -1.878 -5.887 21.195) 22.077 91.041 ( 8.394 -3.919 -18.438) 20.635 91.543 ( 0.745 -0.230 -24.168) 24.180 92.278 ( 1.489 1.893 8.623) 8.953 92.444 ( -6.616 0.146 9.143) 11.287 92.647 ( -2.370 4.530 -14.113) 15.011 93.257 ( 4.902 -0.681 -1.690) 5.230 95.311 ( -4.539 1.461 15.604) 16.317 95.846 ( -1.741 1.950 3.387) 4.279 96.012 ( -0.182 -3.701 1.017) 3.843 96.562 ( 6.003 1.550 -9.330) 11.202 96.600 ( -5.627 2.043 9.916) 11.583 97.006 ( -2.936 4.833 -2.540) 6.199 97.138 ( -2.904 2.788 17.382) 17.842 98.385 ( -0.194 10.727 -23.040) 25.416 ======================= Grid point 150 (80/125) ======================= q-point: ( 0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -5.880 9.482 2.323) 11.396 2.900 ( -2.943 16.390 2.998) 16.920 3.204 ( 9.975 3.318 -5.408) 11.822 3.312 ( -5.091 8.979 2.920) 10.726 3.448 ( -1.095 -13.620 -10.736) 17.377 3.594 ( -2.037 7.597 7.604) 10.940 3.938 ( -5.064 -7.868 -5.751) 10.983 4.101 ( 1.514 -10.089 -6.284) 11.982 4.357 ( 3.035 0.057 16.187) 16.469 4.501 ( -3.842 -0.321 6.029) 7.156 4.759 ( 0.485 -0.390 -1.279) 1.423 4.876 ( 1.210 -5.181 3.588) 6.417 4.947 ( 6.622 -6.120 1.597) 9.157 4.990 ( 2.733 7.961 -1.019) 8.478 5.109 ( 3.809 10.452 12.461) 16.704 5.335 ( -1.552 4.696 2.126) 5.383 5.506 ( 3.071 7.589 -6.598) 10.514 5.512 ( 7.662 1.107 2.878) 8.259 5.765 ( 3.514 -0.647 -1.899) 4.046 5.848 ( -2.606 0.722 -2.089) 3.417 5.927 ( 3.827 8.612 -4.894) 10.619 6.057 ( 1.994 1.916 1.589) 3.190 6.261 ( -6.033 6.590 4.199) 9.872 6.394 ( 1.582 0.385 1.547) 2.247 6.465 ( 1.782 -3.281 1.258) 3.940 6.553 ( 4.389 -11.282 1.197) 12.165 6.757 ( 3.632 -9.778 3.935) 11.148 7.072 ( -3.339 2.883 -4.029) 5.975 7.203 ( 4.157 -6.088 -3.765) 8.278 7.292 ( -6.992 -0.268 -1.064) 7.078 7.468 ( -8.752 -10.975 -5.575) 15.103 7.754 ( -3.900 -1.455 11.330) 12.070 7.823 ( 6.190 -7.370 5.157) 10.919 7.969 ( 0.209 -7.769 4.064) 8.770 8.396 ( 11.069 0.860 -10.607) 15.355 8.680 ( -3.802 0.954 -7.941) 8.856 8.724 ( -0.491 1.522 -7.060) 7.239 9.090 ( -5.425 -9.367 -3.360) 11.334 9.373 ( -5.349 5.207 -1.911) 7.705 9.422 ( -9.556 2.374 1.938) 10.036 10.369 ( -4.185 6.676 8.024) 11.246 10.907 ( 0.877 8.465 -9.500) 12.755 11.940 ( 2.026 2.544 0.677) 3.321 12.169 ( -1.708 1.273 -2.979) 3.662 12.646 ( 1.684 4.887 1.992) 5.539 12.809 ( 0.029 1.932 -1.184) 2.266 12.904 ( 3.135 5.500 -1.066) 6.420 12.942 ( -0.708 2.309 0.737) 2.525 13.325 ( -2.614 1.033 2.439) 3.721 13.497 ( -1.073 -6.833 -2.553) 7.373 15.603 ( 0.255 0.184 -0.725) 0.790 15.687 ( 3.238 -0.319 -1.943) 3.790 15.789 ( 2.746 -0.768 -0.355) 2.873 15.812 ( -2.101 -1.636 -2.462) 3.626 16.136 ( -2.402 -3.520 6.220) 7.540 16.230 ( -1.287 -2.198 4.698) 5.344 16.340 ( 0.859 -2.733 1.439) 3.206 16.526 ( -0.534 -1.150 2.457) 2.764 16.584 ( 1.766 -2.292 -7.825) 8.343 17.039 ( 1.956 0.852 -9.977) 10.203 17.104 ( 0.692 1.781 3.654) 4.123 17.476 ( -0.869 0.914 -4.587) 4.757 21.757 ( -0.097 -1.598 2.298) 2.801 22.020 ( -6.178 -1.567 0.440) 6.389 22.075 ( -2.327 -3.281 -1.708) 4.371 22.235 ( 1.151 -0.305 -4.058) 4.230 22.415 ( 3.279 -1.395 4.271) 5.562 22.472 ( 0.043 -1.011 4.856) 4.960 22.661 ( -1.559 1.322 2.648) 3.345 22.783 ( 2.959 0.391 2.253) 3.740 22.980 ( -0.894 1.500 2.121) 2.748 23.269 ( -0.854 1.561 -7.282) 7.496 23.544 ( -2.542 -0.571 4.505) 5.204 23.608 ( 3.344 -1.529 9.024) 9.744 23.718 ( 0.637 -0.126 0.643) 0.913 23.937 ( -3.798 -2.335 4.603) 6.408 24.524 ( 0.903 4.325 -1.331) 4.615 24.816 ( 1.062 -8.211 11.004) 13.770 24.985 ( -0.500 -3.870 0.232) 3.909 25.802 ( 7.062 4.802 -9.766) 12.974 25.964 ( 2.069 -3.245 -13.672) 14.204 26.332 ( 1.520 1.663 -7.993) 8.305 27.108 ( -0.753 -1.110 -0.432) 1.409 27.385 ( -3.320 -0.619 2.872) 4.433 27.446 ( -0.683 -5.250 -2.027) 5.669 27.856 ( 2.466 0.249 -2.788) 3.731 27.999 ( 6.126 -0.437 1.560) 6.336 28.307 ( 4.716 3.372 0.598) 5.828 28.421 ( 10.499 1.558 1.007) 10.662 28.551 ( 2.656 -8.039 -1.299) 8.566 28.855 ( -6.052 6.516 -1.265) 8.983 29.039 ( 3.184 -4.342 -14.712) 15.667 29.325 ( -9.284 -13.032 6.547) 17.288 29.819 ( 0.559 1.517 -5.328) 5.568 30.011 ( -7.125 3.895 -1.065) 8.190 30.125 ( -2.558 1.663 -0.899) 3.181 30.392 ( 2.443 2.048 3.899) 5.036 30.631 ( -8.294 -0.061 8.107) 11.598 31.299 ( 11.009 7.391 5.126) 14.216 31.465 ( 0.579 -0.421 -0.126) 0.727 31.563 ( 0.957 3.666 1.437) 4.052 32.096 ( -13.632 10.713 2.666) 17.542 32.936 ( -4.667 0.099 3.974) 6.130 33.062 ( 0.089 5.174 -0.262) 5.181 33.485 ( 2.865 0.355 -3.568) 4.590 33.951 ( 1.916 -0.703 -9.139) 9.364 34.430 ( -6.737 2.127 10.105) 12.330 34.908 ( 5.036 7.636 7.620) 11.905 35.106 ( 4.730 -1.692 -6.370) 8.113 35.488 ( -0.817 -0.806 -2.049) 2.349 36.721 ( -0.915 0.223 6.183) 6.255 37.167 ( -1.203 6.910 -5.716) 9.048 37.729 ( 5.173 -1.789 5.427) 7.708 37.808 ( -4.305 -2.039 5.472) 7.255 37.884 ( -2.805 -4.536 3.369) 6.309 38.218 ( -0.184 1.158 -3.398) 3.595 38.323 ( 2.521 0.509 0.333) 2.593 38.665 ( -6.995 -1.761 7.096) 10.119 38.755 ( 3.269 3.708 -7.805) 9.239 39.061 ( 4.964 -0.090 -7.218) 8.761 39.308 ( 0.205 -4.135 1.309) 4.342 39.460 ( -2.630 -2.093 -2.168) 4.000 49.095 ( -1.039 -1.648 1.713) 2.594 49.218 ( 1.069 -1.347 -2.392) 2.946 49.551 ( -0.601 1.145 1.847) 2.254 49.640 ( 1.060 1.146 -1.178) 1.955 86.576 ( 1.709 1.365 0.569) 2.260 86.673 ( -0.550 0.541 -0.529) 0.935 87.287 ( 5.242 5.938 3.263) 8.567 87.828 ( 10.270 -20.095 -11.137) 25.166 89.292 ( -0.012 -0.976 -0.237) 1.005 89.408 ( -4.034 -2.000 -2.669) 5.234 89.540 ( -0.459 -0.510 1.462) 1.615 89.569 ( -7.058 -3.104 3.880) 8.632 89.920 ( -3.058 -0.559 7.989) 8.572 90.373 ( -0.457 -6.918 17.366) 18.699 91.090 ( 6.190 -3.278 -21.455) 22.569 91.445 ( 1.511 -1.646 -21.799) 21.913 92.164 ( -10.432 2.989 1.808) 11.002 92.542 ( 4.868 0.304 13.249) 14.118 92.579 ( 1.855 3.249 -9.850) 10.536 93.327 ( 3.654 0.565 -2.623) 4.533 95.320 ( -2.592 1.781 16.676) 16.970 95.830 ( -1.852 1.616 4.153) 4.826 96.014 ( -0.128 -3.565 0.870) 3.672 96.522 ( -5.401 3.392 3.107) 7.094 96.605 ( 1.467 -0.632 -6.233) 6.434 96.960 ( 0.808 4.928 -4.470) 6.702 97.158 ( -4.119 3.222 18.082) 18.823 98.336 ( 5.493 11.639 -18.495) 22.532 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -18.786 16.291 1.918) 24.940 2.838 ( -5.130 18.461 4.337) 19.645 3.255 ( -1.354 5.384 -0.985) 5.638 3.383 ( 5.094 -15.530 -5.748) 17.325 3.451 ( 5.248 -1.193 2.497) 5.933 3.587 ( 0.740 -0.792 3.653) 3.810 3.811 ( -3.342 -6.065 -6.530) 9.518 4.161 ( 3.705 -1.758 -3.334) 5.285 4.453 ( 1.429 -3.704 6.191) 7.354 4.475 ( -0.089 0.825 8.013) 8.056 4.691 ( -4.690 -2.537 -6.083) 8.090 4.865 ( -3.581 -1.587 -1.417) 4.165 4.976 ( -4.166 3.681 1.214) 5.690 5.077 ( -3.844 1.193 15.348) 15.867 5.140 ( -0.413 3.513 12.554) 13.043 5.335 ( -0.499 9.888 1.553) 10.021 5.467 ( -0.480 9.976 -2.735) 10.355 5.614 ( 1.215 0.735 -10.426) 10.522 5.791 ( -3.415 2.843 -1.098) 4.577 5.865 ( 2.343 1.234 -0.472) 2.690 5.982 ( 5.808 7.711 -1.117) 9.718 6.030 ( 2.909 3.818 -1.170) 4.941 6.251 ( 0.389 5.690 6.260) 8.468 6.419 ( -1.083 -5.039 0.269) 5.161 6.461 ( -1.304 -8.081 1.194) 8.272 6.697 ( 4.340 -5.031 4.478) 8.012 6.816 ( -1.053 -13.107 6.399) 14.623 7.000 ( 0.075 6.174 -9.109) 11.005 7.058 ( -12.542 -4.414 -5.566) 14.414 7.145 ( -6.397 -5.742 -4.281) 9.603 7.434 ( 2.781 -14.097 6.580) 15.804 7.675 ( -5.052 -3.904 6.404) 9.043 7.988 ( 6.425 -7.383 4.563) 10.799 8.116 ( 8.598 3.597 1.239) 9.402 8.390 ( -1.665 -4.342 -14.057) 14.806 8.646 ( -4.356 -0.638 -3.733) 5.772 8.751 ( 9.373 2.849 -3.998) 10.581 9.048 ( 8.557 -5.947 -9.778) 14.290 9.301 ( 1.930 5.770 0.691) 6.123 9.470 ( 8.618 -0.549 2.441) 8.974 10.355 ( -1.353 7.834 8.093) 11.345 10.861 ( -1.004 8.649 -9.306) 12.744 11.962 ( -0.370 1.418 0.977) 1.761 12.154 ( 2.190 3.259 -3.131) 5.022 12.664 ( -1.365 3.839 2.844) 4.969 12.752 ( -4.675 1.990 -1.633) 5.337 12.905 ( -2.379 1.015 -0.223) 2.596 12.974 ( 4.046 7.964 -0.881) 8.976 13.285 ( -3.402 -0.274 2.573) 4.274 13.533 ( 6.091 -6.462 -2.379) 9.193 15.600 ( -0.278 0.611 -0.660) 0.941 15.709 ( -1.783 -0.973 -0.798) 2.182 15.745 ( -0.663 -1.129 -3.637) 3.866 15.844 ( 2.171 -1.046 -0.302) 2.429 16.097 ( -3.922 -5.710 4.401) 8.207 16.243 ( -0.402 -0.161 5.263) 5.280 16.378 ( 2.114 -0.245 1.820) 2.801 16.517 ( -1.398 -3.543 4.409) 5.826 16.608 ( 4.675 -2.773 -8.152) 9.798 17.004 ( -0.231 1.245 -10.789) 10.863 17.158 ( 2.413 1.428 4.555) 5.349 17.417 ( -2.795 1.022 -5.454) 6.213 21.790 ( 2.223 -1.587 1.948) 3.355 21.905 ( -5.884 -1.494 2.694) 6.642 22.021 ( -1.867 -3.802 -3.048) 5.218 22.283 ( 5.509 -0.783 -2.700) 6.184 22.461 ( -2.044 -0.249 4.121) 4.607 22.483 ( -0.595 -1.712 4.689) 5.028 22.628 ( -2.823 -0.229 1.806) 3.359 22.868 ( 3.231 4.820 2.943) 6.506 22.983 ( 1.667 -0.569 2.907) 3.399 23.194 ( -2.823 1.229 -9.323) 9.818 23.492 ( -4.472 -1.292 3.735) 5.968 23.693 ( -0.066 -0.715 12.882) 12.902 23.778 ( 5.259 0.418 -1.161) 5.402 23.887 ( -3.503 -2.039 3.406) 5.294 24.539 ( 1.427 2.766 -2.367) 3.910 24.925 ( 3.661 -6.595 13.833) 15.756 24.979 ( -0.515 -3.551 1.395) 3.850 25.829 ( 0.632 0.959 -13.542) 13.590 25.893 ( -1.395 -0.306 -14.237) 14.309 26.303 ( 0.039 1.832 -8.339) 8.538 27.127 ( -0.046 -3.765 -0.018) 3.765 27.251 ( -8.787 -4.167 4.650) 10.779 27.412 ( -0.920 -0.894 -3.297) 3.538 27.870 ( -0.922 -0.982 -2.023) 2.430 28.046 ( -2.316 -2.161 1.340) 3.439 28.361 ( -2.966 7.371 -2.444) 8.313 28.474 ( -6.051 -0.338 3.091) 6.803 28.589 ( 4.137 -1.513 2.735) 5.185 28.762 ( -2.132 3.499 -3.156) 5.172 29.061 ( 6.082 -6.517 -13.749) 16.386 29.262 ( 0.878 -13.933 3.130) 14.307 29.871 ( 6.904 7.282 -5.209) 11.306 29.915 ( -2.599 3.162 1.780) 4.464 30.129 ( 4.570 -0.446 -1.935) 4.983 30.465 ( 1.936 3.478 5.780) 7.018 30.576 ( -0.477 1.932 5.495) 5.844 31.335 ( -6.394 1.303 1.326) 6.659 31.596 ( 11.992 5.101 6.202) 14.432 31.693 ( 6.600 1.871 2.441) 7.281 31.834 ( -11.752 6.012 -1.229) 13.257 32.881 ( -4.045 -0.358 4.812) 6.296 33.098 ( 4.638 11.207 -0.997) 12.170 33.515 ( 1.569 -0.675 -2.092) 2.701 33.934 ( 1.036 -0.872 -10.182) 10.272 34.368 ( -5.091 -0.222 10.901) 12.033 35.013 ( 2.908 7.881 4.877) 9.714 35.156 ( 2.886 0.822 -4.408) 5.333 35.442 ( -2.795 -2.604 -2.145) 4.381 36.703 ( -3.963 0.416 6.023) 7.222 37.118 ( -0.771 3.478 -5.267) 6.359 37.669 ( -6.692 -2.603 9.176) 11.651 37.879 ( 0.584 -2.653 4.462) 5.224 37.969 ( 9.465 0.971 1.835) 9.690 38.155 ( -2.902 -0.129 -6.255) 6.897 38.382 ( 2.261 3.467 1.794) 4.511 38.534 ( -7.795 -2.314 5.376) 9.748 38.788 ( 2.831 1.433 -8.227) 8.818 39.114 ( 3.245 -0.766 -4.891) 5.919 39.351 ( 3.556 -2.614 1.957) 4.828 39.437 ( 1.853 -2.651 -3.235) 4.575 49.090 ( -0.358 -1.629 1.573) 2.293 49.228 ( 1.163 -1.465 -2.344) 2.999 49.545 ( -0.909 0.974 1.805) 2.243 49.646 ( 0.182 1.158 -1.115) 1.618 86.603 ( 0.465 1.959 0.949) 2.226 86.651 ( -1.171 0.686 -0.980) 1.674 87.317 ( -4.101 3.703 4.166) 6.920 87.811 ( -6.532 -21.288 -13.200) 25.886 89.308 ( -2.044 -0.962 -0.942) 2.447 89.310 ( 0.354 -1.072 -0.235) 1.153 89.495 ( -3.872 -1.675 5.810) 7.180 89.569 ( 2.316 0.156 2.272) 3.248 89.936 ( 0.068 -0.242 9.388) 9.391 90.428 ( -1.554 -5.709 13.682) 14.906 91.050 ( 1.915 -2.630 -25.602) 25.808 91.431 ( 6.435 -3.191 -16.671) 18.152 91.998 ( -8.438 2.699 3.930) 9.692 92.580 ( 4.964 3.713 -11.011) 12.636 92.705 ( 3.947 -1.202 13.744) 14.350 93.361 ( 1.918 1.630 -5.617) 6.155 95.366 ( -1.401 2.369 17.907) 18.117 95.821 ( -1.377 1.616 4.984) 5.417 96.015 ( -0.244 -3.425 1.004) 3.577 96.430 ( -5.053 4.923 -0.103) 7.055 96.580 ( 0.011 -2.477 -6.342) 6.808 96.993 ( 3.948 4.268 -3.427) 6.749 97.152 ( -5.605 3.417 17.831) 19.001 98.411 ( 11.585 11.629 -18.182) 24.496 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -20.319 24.696 5.076) 32.381 2.793 ( -2.024 20.895 6.486) 21.972 3.218 ( -1.534 3.942 -2.230) 4.782 3.300 ( -8.553 -18.193 1.595) 20.166 3.614 ( 6.940 -2.473 2.552) 7.797 3.701 ( 10.272 -2.761 0.642) 10.657 3.812 ( 5.412 -1.537 -6.053) 8.264 4.123 ( -6.405 -4.237 2.002) 7.936 4.428 ( -7.397 3.763 -3.650) 9.066 4.555 ( 3.809 -3.124 2.725) 5.630 4.617 ( 1.149 5.245 -0.587) 5.401 4.768 ( -6.263 -6.116 2.447) 9.090 4.850 ( -9.973 4.539 7.305) 13.169 5.018 ( -5.132 2.836 11.918) 13.282 5.192 ( -3.653 1.627 5.016) 6.415 5.284 ( -3.681 3.012 -1.529) 4.996 5.419 ( -2.366 2.200 -2.548) 4.115 5.583 ( -3.330 12.188 -0.958) 12.671 5.700 ( 1.408 -2.936 -7.670) 8.333 5.934 ( 3.482 2.029 -1.801) 4.414 6.031 ( -0.536 6.808 -4.807) 8.351 6.108 ( 2.181 2.674 -2.253) 4.121 6.278 ( -2.417 -3.384 9.532) 10.400 6.386 ( -1.706 -12.333 -0.343) 12.455 6.426 ( -0.802 -5.802 4.828) 7.590 6.713 ( -1.138 3.987 -4.113) 5.840 6.778 ( -5.191 -1.373 -9.029) 10.505 6.803 ( -6.123 -9.783 9.335) 14.844 6.961 ( -6.080 -9.991 1.194) 11.756 7.207 ( 10.658 2.429 4.189) 11.706 7.474 ( -1.006 -9.312 0.509) 9.380 7.655 ( 1.668 0.326 -3.897) 4.252 7.990 ( -3.931 -4.634 -7.512) 9.662 8.240 ( 3.905 2.801 6.078) 7.749 8.341 ( 0.075 -0.061 -2.590) 2.592 8.530 ( -7.021 -3.491 -0.575) 7.862 8.963 ( 17.867 -0.841 -9.629) 20.314 9.315 ( 19.705 -0.464 -2.091) 19.821 9.412 ( 9.160 6.368 -2.465) 11.425 9.702 ( 14.062 -4.132 2.027) 14.796 10.389 ( 1.118 7.845 6.404) 10.189 10.788 ( -2.201 8.539 -8.705) 12.391 11.956 ( 0.477 4.643 -0.625) 4.709 12.195 ( 1.905 -2.761 -0.522) 3.394 12.608 ( -5.706 4.896 0.294) 7.525 12.661 ( -4.006 2.635 1.677) 5.080 12.870 ( -1.602 -1.482 0.117) 2.185 13.021 ( 1.148 7.777 -1.186) 7.950 13.257 ( 0.131 -0.988 2.149) 2.369 13.653 ( 7.048 -3.883 -2.409) 8.399 15.579 ( -1.896 0.659 -0.546) 2.080 15.630 ( -4.689 -2.063 0.118) 5.124 15.753 ( 2.261 -0.401 -4.307) 4.881 15.866 ( 0.434 -1.045 -0.939) 1.470 16.046 ( -3.348 -5.221 3.625) 7.184 16.256 ( -0.812 -0.659 5.417) 5.517 16.416 ( 1.056 1.689 1.514) 2.502 16.537 ( 1.124 -4.163 3.857) 5.785 16.671 ( 5.791 -3.518 -6.815) 9.610 16.937 ( -1.500 1.462 -10.528) 10.734 17.217 ( 1.441 1.419 3.993) 4.476 17.339 ( -2.422 0.806 -4.796) 5.433 21.788 ( -3.313 -3.226 2.400) 5.210 21.893 ( 2.436 0.681 1.884) 3.154 22.011 ( 2.420 -4.558 0.462) 5.182 22.371 ( 1.442 1.259 1.574) 2.478 22.423 ( -4.009 0.026 2.953) 4.979 22.463 ( 1.218 -2.553 0.097) 2.831 22.595 ( -1.931 -1.869 0.880) 2.828 22.911 ( 0.319 4.526 4.583) 6.450 23.049 ( 1.785 0.286 2.095) 2.767 23.092 ( -3.157 -0.096 -8.848) 9.395 23.447 ( -1.512 -1.606 3.313) 3.980 23.721 ( -3.639 -0.379 12.706) 13.223 23.847 ( -0.286 -0.293 2.087) 2.126 23.869 ( 3.000 0.856 -0.556) 3.169 24.555 ( 1.722 1.062 -2.872) 3.514 24.971 ( -0.342 -2.850 -0.497) 2.913 25.039 ( 0.469 -5.111 12.966) 13.945 25.698 ( -4.642 -4.279 -16.309) 17.488 25.827 ( -0.216 1.767 -11.405) 11.543 26.268 ( -0.253 2.415 -5.752) 6.243 26.971 ( -11.517 0.050 3.526) 12.044 27.268 ( 2.909 -4.583 2.867) 6.139 27.413 ( 2.530 -3.506 -0.209) 4.328 27.793 ( -5.671 -3.315 -2.582) 7.058 27.888 ( -14.248 2.790 -0.784) 14.540 28.278 ( -3.214 -0.278 6.289) 7.069 28.342 ( -8.598 3.763 -2.421) 9.693 28.545 ( -5.447 -2.211 -8.023) 9.946 28.818 ( 7.175 1.663 -1.234) 7.468 29.134 ( 7.083 -6.784 -12.328) 15.754 29.345 ( 4.724 -11.894 5.525) 13.940 29.946 ( 3.941 4.872 4.656) 7.807 29.993 ( 7.897 10.625 -2.966) 13.566 30.243 ( 6.390 -1.189 -0.469) 6.517 30.514 ( 2.409 6.508 2.294) 7.309 30.648 ( 4.708 2.602 2.809) 6.069 31.226 ( -4.711 -0.941 -2.060) 5.227 31.520 ( -12.326 4.703 -0.514) 13.203 31.855 ( 5.806 3.596 18.170) 19.411 31.909 ( 11.555 1.998 -6.390) 13.355 32.840 ( -1.861 1.583 2.993) 3.864 33.214 ( 7.364 11.443 1.338) 13.673 33.521 ( -0.053 0.290 -1.362) 1.393 33.891 ( -0.167 -2.782 -11.406) 11.741 34.352 ( -2.346 -2.995 11.886) 12.480 35.051 ( -2.000 7.047 6.856) 10.033 35.170 ( 2.395 2.266 -8.124) 8.767 35.365 ( -4.378 -5.172 -3.166) 7.479 36.654 ( -4.261 2.727 8.030) 9.491 37.101 ( 1.091 1.932 -3.263) 3.946 37.597 ( -7.050 -3.749 11.782) 14.233 37.936 ( 3.007 -0.415 4.783) 5.665 38.020 ( -2.627 2.503 -6.202) 7.186 38.131 ( 1.573 -1.399 -2.463) 3.240 38.392 ( -0.457 4.340 0.880) 4.452 38.515 ( 3.363 -3.250 4.264) 6.329 38.772 ( 0.130 -0.649 -10.161) 10.182 39.126 ( 0.173 -2.759 -3.032) 4.103 39.452 ( 6.114 -0.094 1.301) 6.251 39.490 ( 5.055 -1.391 -3.958) 6.569 49.097 ( 0.394 -1.469 1.364) 2.043 49.236 ( 0.786 -1.544 -2.082) 2.709 49.537 ( -0.729 0.881 1.478) 1.868 49.635 ( -0.857 1.008 -0.896) 1.598 86.602 ( -0.001 1.695 -0.375) 1.736 86.632 ( -0.884 1.287 0.343) 1.598 87.189 ( -11.019 1.109 3.669) 11.667 87.499 ( -18.900 -15.328 -11.248) 26.808 89.296 ( 2.008 -0.570 0.650) 2.187 89.357 ( 2.590 -1.262 0.771) 2.983 89.473 ( -1.351 -1.753 6.049) 6.441 89.627 ( 2.322 0.852 2.358) 3.418 89.997 ( 1.122 -1.290 10.500) 10.638 90.441 ( -3.681 -4.370 12.353) 13.610 90.962 ( 2.107 -3.137 -25.245) 25.526 91.495 ( 7.899 -2.265 -15.357) 17.417 91.905 ( -4.076 1.329 6.186) 7.527 92.646 ( 6.935 3.390 -8.604) 11.559 92.809 ( 1.180 -2.184 10.338) 10.632 93.339 ( -0.565 2.286 -9.642) 9.925 95.418 ( -2.520 2.705 17.690) 18.072 95.831 ( -0.223 1.965 5.836) 6.162 96.014 ( -0.421 -3.358 1.450) 3.682 96.355 ( -2.085 6.466 -2.115) 7.116 96.569 ( 1.734 -4.338 -4.109) 6.222 97.049 ( 3.104 3.897 -1.937) 5.345 97.117 ( -6.920 3.610 17.306) 18.984 98.567 ( 14.551 10.136 -21.982) 28.243 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -8.338 29.264 11.819) 32.644 2.816 ( -0.364 23.898 8.870) 25.494 3.151 ( -1.926 -2.724 -4.944) 5.964 3.242 ( 1.272 -4.376 4.488) 6.396 3.658 ( -4.369 -0.710 1.531) 4.683 3.855 ( 2.963 5.839 -3.639) 7.491 3.944 ( 9.392 -1.151 3.343) 10.035 4.030 ( -1.064 -14.163 1.625) 14.296 4.277 ( -3.563 1.056 -4.343) 5.716 4.470 ( -10.918 -5.197 -4.428) 12.877 4.677 ( -7.165 3.291 15.755) 17.618 4.709 ( 5.377 3.943 2.226) 7.029 4.786 ( 0.137 0.325 3.324) 3.343 4.983 ( -4.942 -0.221 -1.167) 5.083 5.037 ( -11.159 4.199 3.496) 12.425 5.221 ( -0.288 0.079 -1.659) 1.685 5.441 ( 1.860 -1.099 -1.417) 2.584 5.489 ( -3.439 5.983 -2.110) 7.216 5.733 ( 3.750 -1.876 -5.212) 6.689 5.856 ( -10.899 -6.363 -6.645) 14.263 5.977 ( 1.663 -1.519 -3.708) 4.339 6.084 ( -2.004 2.101 -1.772) 3.402 6.306 ( -1.926 -4.012 6.424) 7.815 6.345 ( -4.026 -7.174 0.502) 8.242 6.470 ( 3.939 1.015 3.122) 5.128 6.626 ( -0.466 -0.910 -4.825) 4.932 6.702 ( -7.567 -7.494 4.724) 11.650 6.806 ( 2.058 -0.515 -3.462) 4.061 6.909 ( 1.922 -3.737 8.706) 9.667 7.408 ( 2.432 -5.366 1.558) 6.094 7.441 ( 4.090 1.018 -0.176) 4.218 7.691 ( 5.934 1.681 -8.729) 10.688 7.890 ( -3.212 -0.735 -3.457) 4.775 8.281 ( -2.278 1.040 3.913) 4.646 8.360 ( -0.623 -1.236 3.203) 3.490 8.389 ( -5.243 -0.874 -2.326) 5.802 9.233 ( 13.420 -1.970 -5.998) 14.831 9.533 ( 6.230 1.205 -6.892) 9.368 9.700 ( 19.730 5.078 0.402) 20.377 9.931 ( 7.743 -2.318 1.876) 8.297 10.439 ( 1.105 6.851 3.813) 7.918 10.719 ( 0.089 7.779 -8.330) 11.398 11.991 ( 3.674 3.743 -0.657) 5.286 12.181 ( -3.972 -5.115 0.474) 6.494 12.510 ( -3.898 3.124 1.710) 5.280 12.616 ( -1.941 3.660 1.550) 4.424 12.844 ( -1.361 -2.325 0.993) 2.871 13.009 ( -0.966 5.484 -2.581) 6.138 13.311 ( 3.445 1.141 3.933) 5.352 13.741 ( 3.590 -2.423 -3.820) 5.775 15.526 ( -3.081 -0.608 0.092) 3.141 15.566 ( -2.164 -1.087 -0.505) 2.474 15.783 ( 2.954 -0.418 -3.631) 4.700 15.850 ( -1.427 -1.119 -1.890) 2.619 16.017 ( -1.495 -3.771 3.931) 5.649 16.271 ( -0.477 -1.912 6.301) 6.602 16.437 ( 0.707 1.766 0.661) 2.014 16.560 ( -0.328 -3.351 0.164) 3.371 16.739 ( 3.175 -2.833 -5.694) 7.109 16.869 ( 0.490 1.247 -9.365) 9.461 17.239 ( -0.351 1.859 2.284) 2.965 17.307 ( 0.760 0.070 -1.975) 2.118 21.755 ( -1.629 -3.180 4.076) 5.420 21.943 ( 2.715 -0.455 0.717) 2.845 22.100 ( 4.414 -4.103 2.872) 6.676 22.344 ( -1.993 1.758 3.263) 4.208 22.360 ( -3.853 0.762 1.125) 4.085 22.537 ( 0.300 -1.130 2.562) 2.817 22.571 ( 2.856 -3.214 -2.715) 5.085 22.917 ( -2.146 3.979 3.808) 5.911 23.009 ( -1.030 -1.531 -6.331) 6.594 23.044 ( -2.854 -0.543 0.958) 3.059 23.468 ( 1.608 -1.271 2.671) 3.367 23.670 ( -7.112 -0.324 9.106) 11.559 23.873 ( 2.059 0.229 3.312) 3.907 23.909 ( 1.020 2.043 -0.442) 2.326 24.574 ( 1.580 0.669 -2.756) 3.246 24.959 ( -1.054 -4.030 0.735) 4.230 25.048 ( -3.497 -2.474 5.105) 6.664 25.566 ( -1.276 -4.711 -15.070) 15.841 25.781 ( 0.136 -0.258 -6.529) 6.536 26.241 ( -0.156 2.387 -3.899) 4.574 26.841 ( -5.042 1.813 8.645) 10.171 27.317 ( 2.191 -0.976 -0.241) 2.410 27.494 ( 4.955 -4.926 2.587) 7.451 27.597 ( -13.934 1.632 -0.583) 14.042 27.696 ( -3.184 -1.445 -3.983) 5.300 28.143 ( -11.060 -3.609 -1.202) 11.696 28.281 ( -0.906 -4.196 6.922) 8.145 28.464 ( 1.722 7.398 -11.044) 13.404 28.906 ( 4.141 -0.865 -6.254) 7.550 29.168 ( 3.163 -7.636 -14.352) 16.561 29.474 ( 4.447 -10.466 13.212) 17.432 30.055 ( 3.770 8.067 5.329) 10.377 30.125 ( 7.403 8.014 -1.353) 10.994 30.286 ( -2.514 2.259 1.904) 3.880 30.597 ( 6.471 6.557 -4.726) 10.354 30.724 ( 2.163 3.334 -0.455) 4.000 31.156 ( -1.288 -2.549 -3.310) 4.372 31.347 ( -6.694 3.154 3.091) 8.019 31.966 ( -2.635 2.505 17.651) 18.021 32.083 ( 9.772 5.322 -5.715) 12.509 32.851 ( 1.215 1.973 4.256) 4.846 33.354 ( 5.819 9.564 2.558) 11.484 33.501 ( -1.167 3.010 -1.983) 3.789 33.835 ( 0.558 -6.702 -11.656) 13.457 34.386 ( -0.166 -4.389 11.893) 12.678 35.012 ( -5.072 4.044 6.702) 9.327 35.142 ( -4.168 2.246 -4.703) 6.674 35.296 ( 2.191 -4.037 -8.481) 9.645 36.631 ( -2.920 4.073 10.176) 11.343 37.124 ( 2.519 3.593 -1.967) 4.809 37.514 ( -7.855 -5.091 12.516) 15.629 37.937 ( -2.231 2.184 -5.598) 6.410 38.018 ( 2.868 1.124 3.855) 4.935 38.128 ( 0.349 -3.335 0.187) 3.358 38.395 ( 0.425 4.274 -3.470) 5.521 38.633 ( 5.400 -5.078 4.676) 8.764 38.711 ( -0.176 -0.577 -12.496) 12.510 39.101 ( -1.080 -3.625 -3.226) 4.972 39.548 ( 3.180 1.062 -1.264) 3.583 39.568 ( 4.894 -0.056 -3.390) 5.953 49.114 ( 0.719 -1.287 1.170) 1.882 49.236 ( 0.146 -1.497 -1.776) 2.327 49.534 ( -0.224 0.794 1.131) 1.400 49.610 ( -1.301 1.013 -0.641) 1.769 86.615 ( -1.282 1.279 1.701) 2.484 86.632 ( 4.234 1.656 -1.606) 4.821 86.992 ( -10.445 -0.504 2.252) 10.697 87.113 ( -16.373 -6.728 -5.753) 18.613 89.353 ( 3.109 -0.794 -0.052) 3.209 89.395 ( 1.001 -1.437 0.501) 1.821 89.511 ( 2.148 -2.432 7.458) 8.134 89.664 ( 0.485 0.998 1.971) 2.262 90.060 ( 0.215 -2.970 10.433) 10.850 90.408 ( -6.363 -3.712 13.306) 15.209 90.911 ( 4.709 -3.799 -22.993) 23.776 91.565 ( 7.303 -0.095 -15.532) 17.163 91.906 ( 0.426 -0.419 7.896) 7.918 92.736 ( 5.170 3.712 -4.520) 7.806 92.846 ( -0.544 -2.959 5.000) 5.835 93.253 ( -2.798 2.120 -12.693) 13.170 95.425 ( -5.123 2.334 15.928) 16.894 95.857 ( -0.032 2.575 4.968) 5.596 96.013 ( -0.544 -3.411 1.984) 3.983 96.345 ( 2.070 7.178 -2.175) 7.781 96.606 ( 3.067 -5.292 -0.294) 6.123 97.055 ( -6.756 4.691 16.131) 18.107 97.098 ( 1.364 3.277 0.737) 3.625 98.696 ( 10.817 7.782 -27.642) 30.686 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 5.181 0.000 13.739) 14.684 3.067 ( 10.392 -0.000 4.312) 11.251 3.229 ( -5.389 0.000 3.192) 6.263 3.254 ( 11.254 -0.000 -7.681) 13.626 3.629 ( -7.417 -0.000 -2.529) 7.837 3.720 ( 2.003 0.000 -0.748) 2.138 3.962 ( 1.533 0.000 6.602) 6.778 4.096 ( -12.399 0.000 -2.614) 12.671 4.191 ( 11.479 0.000 1.133) 11.534 4.291 ( 4.726 0.000 -4.175) 6.306 4.651 ( -7.212 0.000 4.896) 8.717 4.806 ( -7.522 0.000 15.430) 17.166 4.864 ( -3.075 0.000 4.047) 5.082 4.883 ( -0.067 0.000 -5.777) 5.777 5.020 ( -6.811 0.000 9.770) 11.910 5.078 ( 3.536 -0.000 -13.908) 14.351 5.319 ( -9.474 0.000 -7.580) 12.134 5.528 ( 6.545 0.000 -1.505) 6.715 5.605 ( -1.742 -0.000 -2.267) 2.859 5.749 ( 1.055 0.000 4.124) 4.257 6.006 ( -0.933 0.000 -8.097) 8.150 6.073 ( -4.236 0.000 4.077) 5.879 6.131 ( -0.849 -0.000 -3.391) 3.496 6.243 ( -0.998 0.000 1.045) 1.445 6.490 ( -5.967 0.000 2.744) 6.567 6.630 ( 3.611 0.000 -2.344) 4.305 6.681 ( 6.035 0.000 1.597) 6.242 6.724 ( -2.597 -0.000 2.412) 3.544 7.047 ( 7.546 0.000 1.414) 7.677 7.405 ( 3.397 -0.000 6.671) 7.486 7.540 ( 1.932 0.000 5.878) 6.187 7.820 ( 7.462 0.000 -12.395) 14.468 7.865 ( 0.165 0.000 4.597) 4.600 8.085 ( -12.884 0.000 -4.077) 13.513 8.239 ( -6.559 0.000 3.363) 7.371 8.500 ( 6.670 0.000 -1.024) 6.748 9.332 ( 2.483 0.000 -2.265) 3.361 9.530 ( -3.562 0.000 -9.361) 10.016 9.924 ( -4.232 0.000 2.430) 4.880 10.068 ( 6.546 0.000 -3.088) 7.238 10.504 ( -1.573 0.000 2.635) 3.069 10.814 ( 6.311 0.000 -6.786) 9.267 12.034 ( -1.009 0.000 1.030) 1.441 12.087 ( -1.210 0.000 -1.432) 1.875 12.519 ( 2.031 0.000 4.555) 4.987 12.631 ( -0.530 0.000 0.589) 0.793 12.817 ( 0.259 0.000 1.777) 1.795 13.021 ( -1.555 0.000 -4.837) 5.081 13.420 ( 3.319 0.000 4.952) 5.961 13.714 ( -1.935 0.000 -4.312) 4.727 15.485 ( -0.061 0.000 0.423) 0.428 15.536 ( 0.326 0.000 -0.733) 0.802 15.785 ( -2.656 0.000 -2.402) 3.581 15.823 ( 3.181 0.000 -3.276) 4.566 16.002 ( 0.718 0.000 5.916) 5.959 16.255 ( -2.233 0.000 8.264) 8.560 16.477 ( -2.685 0.000 -6.537) 7.067 16.487 ( 0.729 0.000 4.346) 4.407 16.683 ( -2.299 0.000 -8.959) 9.249 16.909 ( 6.218 0.000 -7.889) 10.045 17.240 ( -2.968 0.000 1.791) 3.466 17.351 ( 4.663 0.000 -0.975) 4.763 21.735 ( 0.002 0.000 5.194) 5.194 21.995 ( 3.399 0.000 -0.306) 3.412 22.125 ( 1.983 0.000 3.135) 3.710 22.306 ( -2.726 0.000 -1.792) 3.262 22.330 ( -4.630 -0.000 3.505) 5.807 22.557 ( 4.683 0.000 7.061) 8.473 22.582 ( -0.569 0.000 -4.503) 4.539 22.928 ( -6.034 0.000 -1.875) 6.319 22.941 ( -3.067 0.000 3.147) 4.395 23.000 ( 5.425 0.000 -1.894) 5.746 23.506 ( 2.127 0.000 1.689) 2.716 23.562 ( -7.474 0.000 6.794) 10.100 23.917 ( -1.949 0.000 -2.704) 3.333 23.939 ( 1.788 0.000 5.553) 5.834 24.605 ( 1.674 0.000 -2.121) 2.702 24.862 ( -5.786 0.000 4.477) 7.315 24.982 ( -1.665 0.000 -1.864) 2.499 25.500 ( 6.302 0.000 -12.624) 14.110 25.756 ( 1.381 0.000 -5.258) 5.436 26.257 ( 1.867 0.000 -4.785) 5.136 26.904 ( 3.340 0.000 11.268) 11.753 27.395 ( 6.106 0.000 0.240) 6.110 27.404 ( -7.935 -0.000 0.455) 7.948 27.584 ( 6.929 0.000 4.625) 8.331 27.664 ( 2.042 0.000 -4.917) 5.324 27.856 ( -7.535 0.000 -6.099) 9.694 28.221 ( -2.435 0.000 4.543) 5.154 28.706 ( -5.125 0.000 -1.776) 5.424 28.744 ( 9.931 -0.000 -14.857) 17.870 29.100 ( 1.506 0.000 -17.907) 17.971 29.510 ( 1.294 0.000 23.509) 23.544 30.157 ( -3.299 0.000 3.397) 4.735 30.215 ( -4.363 0.000 1.133) 4.508 30.349 ( 2.811 0.000 -4.497) 5.304 30.734 ( -3.309 -0.000 -4.482) 5.571 30.737 ( 4.957 0.000 -7.037) 8.608 31.149 ( 4.078 0.000 1.315) 4.284 31.268 ( -6.586 0.000 3.990) 7.700 31.970 ( -7.935 0.000 16.288) 18.118 32.323 ( 9.240 0.000 -1.649) 9.386 32.901 ( -0.362 0.000 6.588) 6.598 33.485 ( -0.465 0.000 -0.308) 0.558 33.508 ( -5.739 -0.000 -5.706) 8.093 33.739 ( 7.364 0.000 -9.066) 11.680 34.409 ( 1.293 0.000 13.667) 13.728 34.940 ( -8.796 0.000 5.447) 10.346 35.053 ( -2.039 0.000 -5.327) 5.704 35.326 ( 6.407 0.000 -7.946) 10.207 36.691 ( -1.758 0.000 11.797) 11.928 37.217 ( 2.403 0.000 0.798) 2.532 37.387 ( -4.654 0.000 12.269) 13.122 37.917 ( 0.048 0.000 -4.419) 4.419 38.052 ( 0.179 0.000 1.698) 1.707 38.146 ( 3.703 0.000 2.365) 4.394 38.371 ( -5.180 0.000 -5.236) 7.365 38.658 ( 1.996 0.000 -11.749) 11.918 38.687 ( 3.710 0.000 4.447) 5.791 39.032 ( -0.088 0.000 -5.225) 5.226 39.563 ( -3.273 0.000 -2.412) 4.066 39.609 ( 1.704 0.000 -2.625) 3.130 49.116 ( 0.064 0.000 1.083) 1.085 49.213 ( -0.082 0.000 -1.827) 1.829 49.547 ( 0.159 0.000 1.131) 1.142 49.602 ( -0.265 0.000 -0.573) 0.631 86.599 ( -2.840 0.000 2.183) 3.582 86.764 ( 4.022 0.000 -2.606) 4.793 86.840 ( -1.280 0.000 0.652) 1.437 86.911 ( 2.050 0.000 -1.328) 2.443 89.376 ( -1.316 0.000 -0.336) 1.358 89.392 ( 2.097 0.000 -0.125) 2.101 89.581 ( 4.216 0.000 6.780) 7.984 89.669 ( -1.750 0.000 0.668) 1.874 90.030 ( -3.332 0.000 8.211) 8.861 90.316 ( -7.826 0.000 16.278) 18.061 90.877 ( 7.041 0.000 -21.010) 22.159 91.616 ( 6.856 0.000 -20.352) 21.476 91.983 ( 3.111 0.000 13.120) 13.484 92.740 ( -6.624 0.000 4.345) 7.922 92.881 ( 4.749 0.000 -7.885) 9.205 93.157 ( -1.898 0.000 -12.748) 12.888 95.407 ( -7.169 0.000 16.757) 18.226 95.902 ( -1.405 0.000 5.342) 5.524 95.970 ( -0.078 0.000 -0.199) 0.214 96.466 ( 5.668 0.000 -15.209) 16.231 96.611 ( 0.417 0.000 14.853) 14.859 97.076 ( -5.291 0.000 21.415) 22.059 97.150 ( 0.663 0.000 -1.922) 2.034 98.749 ( 2.706 0.000 -29.380) 29.504 ======================= Grid point 156 (85/125) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 13.678 0.000 10.688) 17.358 3.122 ( -3.669 -0.000 -7.090) 7.983 3.191 ( 2.222 0.000 0.177) 2.229 3.444 ( 2.328 0.000 1.809) 2.949 3.560 ( 5.501 0.000 -8.485) 10.113 3.744 ( -1.629 -0.000 4.672) 4.948 3.863 ( -5.897 0.000 -10.023) 11.629 4.065 ( 4.555 0.000 13.670) 14.409 4.367 ( 0.038 0.000 0.469) 0.470 4.440 ( 12.029 -0.000 7.880) 14.380 4.463 ( -7.317 0.000 -2.125) 7.619 4.662 ( -8.323 0.000 -0.527) 8.339 4.899 ( 3.099 0.000 -4.758) 5.678 4.904 ( 4.359 -0.000 14.349) 14.997 4.968 ( -4.578 0.000 8.849) 9.963 5.182 ( -0.768 -0.000 -5.642) 5.694 5.183 ( 9.407 0.000 -6.610) 11.498 5.605 ( 1.162 0.000 2.862) 3.089 5.662 ( 8.854 0.000 -1.856) 9.046 5.744 ( -4.355 0.000 3.444) 5.552 5.937 ( -1.104 0.000 -6.903) 6.991 6.033 ( -2.428 0.000 3.227) 4.039 6.140 ( 5.017 -0.000 -5.933) 7.770 6.242 ( 0.247 0.000 1.446) 1.467 6.439 ( -0.305 0.000 -0.830) 0.885 6.654 ( 0.716 0.000 -6.500) 6.539 6.693 ( -3.101 0.000 5.117) 5.983 6.823 ( 8.940 0.000 2.328) 9.238 7.188 ( 6.007 0.000 2.972) 6.702 7.496 ( 2.837 -0.000 6.376) 6.978 7.519 ( -9.110 0.000 6.824) 11.382 7.775 ( -6.247 0.000 1.328) 6.387 7.857 ( -5.586 0.000 -11.055) 12.386 8.018 ( 12.661 0.000 -5.533) 13.817 8.108 ( -9.203 0.000 4.478) 10.234 8.628 ( 7.174 0.000 -1.039) 7.249 9.292 ( -5.785 0.000 -0.158) 5.787 9.294 ( -15.666 -0.000 -11.410) 19.381 9.777 ( -11.385 0.000 2.687) 11.698 9.999 ( -11.505 0.000 -2.175) 11.709 10.497 ( -1.244 0.000 3.148) 3.385 10.920 ( 7.372 0.000 -7.554) 10.555 12.039 ( -2.831 0.000 -0.617) 2.898 12.060 ( 3.200 0.000 -0.051) 3.200 12.627 ( 6.572 0.000 4.204) 7.801 12.649 ( 1.890 0.000 0.135) 1.895 12.841 ( 1.410 0.000 1.941) 2.399 12.971 ( -1.108 0.000 -4.720) 4.848 13.477 ( 0.123 0.000 5.078) 5.079 13.611 ( -6.426 0.000 -5.053) 8.175 15.521 ( 3.604 0.000 0.266) 3.614 15.562 ( 2.436 0.000 -0.458) 2.479 15.731 ( -1.478 0.000 -2.460) 2.870 15.855 ( 1.610 0.000 -3.003) 3.407 16.053 ( 1.389 0.000 6.831) 6.971 16.239 ( -3.659 0.000 8.225) 9.003 16.384 ( -4.136 0.000 -3.753) 5.585 16.523 ( 1.015 0.000 3.534) 3.677 16.602 ( -1.013 0.000 -10.488) 10.537 16.986 ( 5.803 0.000 -8.471) 10.268 17.179 ( -3.992 0.000 1.209) 4.171 17.438 ( 4.701 0.000 -1.459) 4.923 21.755 ( -0.667 0.000 4.538) 4.587 22.044 ( 2.277 0.000 -2.980) 3.750 22.176 ( 1.202 0.000 3.631) 3.825 22.256 ( -3.964 0.000 4.917) 6.316 22.275 ( 0.525 -0.000 -1.492) 1.582 22.505 ( -4.684 0.000 -3.232) 5.691 22.677 ( 2.424 0.000 7.119) 7.520 22.811 ( -4.669 0.000 -2.837) 5.463 22.913 ( 0.218 0.000 1.786) 1.799 23.142 ( 8.542 0.000 0.999) 8.600 23.485 ( -3.497 0.000 5.999) 6.944 23.540 ( 0.675 0.000 1.779) 1.903 23.844 ( -4.280 0.000 -2.693) 5.057 23.975 ( -1.010 0.000 5.921) 6.007 24.619 ( 0.807 0.000 -1.825) 1.995 24.752 ( -7.535 0.000 5.040) 9.065 24.961 ( 0.224 0.000 -3.092) 3.100 25.604 ( 10.191 0.000 -10.299) 14.489 25.792 ( 5.254 0.000 -6.058) 8.019 26.287 ( 3.742 0.000 -5.455) 6.615 27.066 ( 7.998 0.000 10.134) 12.910 27.337 ( -0.132 0.000 2.319) 2.323 27.452 ( -4.985 0.000 -1.249) 5.139 27.662 ( 6.008 0.000 -8.997) 10.819 27.760 ( 9.048 0.000 5.586) 10.634 27.855 ( 10.178 0.000 -4.211) 11.015 28.191 ( -2.490 0.000 3.236) 4.083 28.587 ( -6.309 0.000 -1.549) 6.497 28.866 ( 9.949 0.000 -13.395) 16.685 29.048 ( 1.726 0.000 -16.450) 16.541 29.563 ( -8.789 0.000 23.696) 25.273 30.051 ( -7.736 0.000 -1.265) 7.839 30.156 ( -1.172 0.000 1.332) 1.774 30.330 ( -2.793 0.000 -4.287) 5.116 30.598 ( -7.950 0.000 -6.006) 9.963 30.798 ( 1.120 0.000 3.322) 3.505 31.173 ( -2.562 0.000 -3.468) 4.312 31.239 ( 3.800 0.000 4.285) 5.727 31.865 ( -10.031 0.000 11.023) 14.904 32.453 ( 4.271 0.000 1.667) 4.584 32.918 ( -1.835 0.000 9.527) 9.703 33.319 ( -9.511 0.000 -7.486) 12.104 33.478 ( 0.332 0.000 -2.290) 2.314 33.850 ( 7.440 0.000 -7.909) 10.859 34.503 ( 0.945 0.000 14.853) 14.883 34.831 ( -4.449 0.000 3.888) 5.908 35.015 ( 0.884 0.000 -6.864) 6.921 35.407 ( 5.584 0.000 -5.465) 7.814 36.713 ( -1.892 0.000 11.378) 11.534 37.251 ( 1.849 0.000 -0.867) 2.042 37.415 ( 1.431 0.000 10.886) 10.980 37.900 ( -1.028 0.000 -1.187) 1.570 38.092 ( 1.987 0.000 2.895) 3.511 38.212 ( -8.552 -0.000 -5.187) 10.002 38.212 ( 3.261 0.000 -0.504) 3.300 38.670 ( 4.605 0.000 -9.785) 10.814 38.750 ( 0.497 0.000 5.268) 5.292 39.014 ( 1.354 0.000 -7.308) 7.432 39.443 ( -7.772 0.000 -1.238) 7.870 39.596 ( -2.021 0.000 -1.893) 2.769 49.112 ( -1.048 0.000 1.364) 1.720 49.204 ( 0.107 0.000 -2.040) 2.043 49.556 ( 0.155 0.000 1.356) 1.365 49.608 ( 1.138 0.000 -0.829) 1.408 86.560 ( -1.610 0.000 0.945) 1.867 86.702 ( -2.877 0.000 0.152) 2.881 87.040 ( 15.163 0.000 -2.240) 15.328 87.053 ( 12.665 -0.000 -1.497) 12.753 89.338 ( -2.343 0.000 -0.638) 2.429 89.424 ( 1.146 0.000 0.625) 1.305 89.624 ( -3.227 0.000 0.148) 3.231 89.672 ( 1.995 0.000 3.276) 3.836 89.984 ( -5.080 0.000 7.393) 8.970 90.255 ( -7.285 0.000 19.236) 20.569 90.928 ( 8.456 0.000 -19.122) 20.908 91.613 ( 3.749 0.000 -23.237) 23.538 92.132 ( 5.661 0.000 14.745) 15.794 92.607 ( -9.530 0.000 3.136) 10.033 92.827 ( -3.510 0.000 -15.001) 15.407 93.158 ( 5.294 0.000 -4.096) 6.694 95.356 ( -6.649 0.000 16.869) 18.132 95.891 ( -2.159 0.000 4.350) 4.856 95.969 ( 0.102 0.000 -0.146) 0.178 96.513 ( 6.662 0.000 -14.018) 15.520 96.647 ( -3.521 0.000 13.527) 13.978 97.112 ( -2.701 -0.000 23.257) 23.413 97.128 ( -1.803 0.000 -3.270) 3.735 98.620 ( -1.153 0.000 -28.062) 28.086 ======================= Grid point 158 (86/125) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 13.157 0.000 5.886) 14.414 3.065 ( 2.246 -0.000 -11.435) 11.654 3.187 ( -1.399 0.000 -1.981) 2.425 3.312 ( -12.084 0.000 2.080) 12.261 3.659 ( -8.970 0.000 0.651) 8.994 3.699 ( 10.385 -0.000 -6.301) 12.147 3.768 ( -0.532 -0.000 -14.958) 14.968 4.171 ( -14.683 0.000 6.327) 15.989 4.234 ( 4.270 0.000 17.638) 18.147 4.530 ( -4.769 0.000 4.615) 6.637 4.557 ( 9.573 -0.000 5.013) 10.806 4.729 ( 10.416 0.000 7.984) 13.124 4.871 ( -4.101 0.000 -2.984) 5.072 4.975 ( 4.998 0.000 -6.947) 8.558 5.146 ( 14.248 0.000 10.885) 17.930 5.253 ( 8.271 0.000 3.102) 8.833 5.304 ( 6.451 0.000 -3.730) 7.451 5.617 ( -4.718 0.000 4.468) 6.498 5.690 ( 2.625 0.000 -5.526) 6.117 5.831 ( 9.627 0.000 -1.900) 9.813 5.950 ( 4.702 0.000 1.943) 5.088 5.989 ( -3.386 0.000 1.305) 3.629 6.255 ( 8.844 -0.000 -2.048) 9.078 6.273 ( 1.944 0.000 4.138) 4.572 6.446 ( 1.156 0.000 -3.863) 4.033 6.605 ( -1.968 0.000 -8.957) 9.170 6.638 ( -6.917 0.000 8.082) 10.637 7.010 ( 8.986 0.000 2.811) 9.416 7.185 ( -11.266 0.000 8.736) 14.257 7.408 ( 2.745 0.000 -9.748) 10.127 7.520 ( -5.370 0.000 0.265) 5.376 7.671 ( -2.911 0.000 5.767) 6.460 7.783 ( 0.570 0.000 -4.451) 4.487 7.949 ( -12.214 0.000 10.018) 15.797 8.230 ( 13.417 0.000 -7.807) 15.523 8.730 ( 4.509 0.000 -3.506) 5.712 8.931 ( -15.130 0.000 -12.940) 19.908 9.143 ( -9.847 0.000 1.036) 9.901 9.572 ( -11.406 0.000 3.352) 11.889 9.710 ( -16.549 0.000 -2.854) 16.793 10.470 ( -3.626 0.000 5.786) 6.828 10.988 ( 4.048 0.000 -8.957) 9.829 11.991 ( -2.229 0.000 0.527) 2.291 12.129 ( 4.400 0.000 -2.559) 5.090 12.681 ( 0.977 0.000 0.848) 1.294 12.768 ( 5.988 0.000 2.561) 6.513 12.884 ( 2.392 0.000 2.223) 3.266 12.955 ( 2.021 0.000 -4.357) 4.802 13.456 ( -7.113 0.000 -4.612) 8.478 13.466 ( -3.575 -0.000 4.105) 5.444 15.597 ( 1.149 0.000 -0.503) 1.254 15.605 ( 5.069 0.000 -0.439) 5.088 15.728 ( 2.453 0.000 -1.844) 3.068 15.847 ( -1.017 0.000 -2.870) 3.045 16.103 ( -0.285 0.000 7.302) 7.307 16.206 ( -3.197 0.000 7.538) 8.188 16.313 ( -2.087 0.000 -0.453) 2.135 16.547 ( -0.326 0.000 2.774) 2.793 16.555 ( 1.211 -0.000 -10.550) 10.619 17.036 ( 4.242 0.000 -9.817) 10.694 17.124 ( -2.360 0.000 1.958) 3.066 17.492 ( 2.121 0.000 -3.056) 3.720 21.749 ( -1.617 0.000 2.984) 3.394 22.050 ( 0.995 0.000 -5.707) 5.793 22.133 ( -6.829 0.000 5.801) 8.960 22.278 ( -0.673 0.000 -4.457) 4.508 22.297 ( 4.119 -0.000 4.200) 5.883 22.436 ( -0.954 0.000 2.702) 2.866 22.694 ( -1.947 0.000 4.149) 4.583 22.748 ( -0.671 0.000 -1.628) 1.761 22.969 ( 2.688 0.000 3.448) 4.372 23.274 ( 4.883 0.000 -1.847) 5.221 23.498 ( 1.585 0.000 6.682) 6.867 23.552 ( -0.638 0.000 3.593) 3.649 23.753 ( -3.856 0.000 -1.531) 4.149 23.958 ( -3.574 0.000 6.166) 7.127 24.616 ( -0.205 0.000 -1.877) 1.888 24.669 ( -3.743 -0.000 7.170) 8.088 24.952 ( -0.154 0.000 -1.155) 1.166 25.753 ( 10.345 0.000 -9.648) 14.146 25.871 ( 6.663 0.000 -10.032) 12.043 26.332 ( 3.891 0.000 -7.073) 8.073 27.262 ( -9.825 0.000 -7.317) 12.250 27.265 ( 8.827 -0.000 6.888) 11.196 27.381 ( 1.370 0.000 4.211) 4.429 27.784 ( 7.120 0.000 -2.537) 7.558 27.928 ( 4.999 0.000 3.397) 6.044 28.117 ( 19.436 0.000 -6.745) 20.573 28.202 ( 3.854 0.000 4.760) 6.125 28.485 ( -3.951 0.000 0.541) 3.988 28.962 ( 6.538 0.000 -13.347) 14.862 29.013 ( 2.550 0.000 -15.462) 15.671 29.404 ( -18.497 0.000 20.888) 27.901 29.900 ( -6.006 0.000 -4.569) 7.546 30.182 ( 0.834 0.000 2.866) 2.985 30.215 ( -7.479 0.000 -3.075) 8.087 30.430 ( -5.905 0.000 -3.581) 6.906 30.749 ( -9.383 0.000 10.552) 14.120 31.210 ( 9.733 0.000 -8.453) 12.891 31.329 ( 3.314 0.000 7.298) 8.016 31.721 ( -9.463 0.000 5.932) 11.169 32.448 ( -7.245 0.000 2.613) 7.702 32.920 ( -3.034 0.000 10.528) 10.957 33.152 ( -3.439 0.000 -6.748) 7.574 33.475 ( 0.924 0.000 -3.562) 3.680 33.920 ( 4.120 0.000 -7.601) 8.646 34.533 ( -4.963 0.000 11.501) 12.526 34.860 ( 5.169 0.000 6.423) 8.245 35.018 ( 3.214 0.000 -8.437) 9.029 35.469 ( 2.941 0.000 -2.803) 4.063 36.724 ( -2.167 0.000 9.519) 9.762 37.276 ( 1.461 0.000 -4.260) 4.504 37.532 ( 6.286 0.000 9.303) 11.227 37.864 ( -2.617 0.000 1.511) 3.022 37.964 ( -12.119 0.000 -0.721) 12.141 38.208 ( 5.057 -0.000 2.531) 5.655 38.254 ( 1.685 0.000 -3.045) 3.480 38.730 ( 6.102 -0.000 -8.120) 10.158 38.746 ( -4.291 0.000 6.665) 7.927 39.018 ( 3.352 0.000 -8.796) 9.413 39.309 ( -5.608 0.000 0.482) 5.629 39.525 ( -4.399 0.000 -1.720) 4.723 49.095 ( -1.435 0.000 1.641) 2.180 49.200 ( 0.606 0.000 -2.341) 2.418 49.563 ( -0.239 0.000 1.685) 1.702 49.630 ( 1.634 0.000 -1.130) 1.986 86.558 ( 0.977 0.000 0.532) 1.112 86.679 ( -0.399 0.000 0.737) 0.838 87.303 ( 13.761 0.000 -3.408) 14.176 87.304 ( 14.265 -0.000 -2.847) 14.547 89.297 ( -1.541 0.000 -0.434) 1.601 89.434 ( -0.475 0.000 0.057) 0.478 89.564 ( -3.009 0.000 0.322) 3.026 89.649 ( -5.553 0.000 1.636) 5.789 89.937 ( -3.443 0.000 6.951) 7.757 90.246 ( -3.475 0.000 20.586) 20.877 91.000 ( 8.675 0.000 -18.840) 20.741 91.539 ( 0.602 0.000 -25.120) 25.127 92.296 ( 2.844 0.000 9.919) 10.318 92.449 ( -7.445 0.000 7.880) 10.841 92.692 ( -2.478 0.000 -14.943) 15.147 93.251 ( 5.705 0.000 -2.346) 6.168 95.328 ( -4.944 0.000 17.566) 18.249 95.869 ( -2.366 0.000 4.471) 5.058 95.972 ( 0.222 0.000 -0.077) 0.235 96.570 ( 5.925 0.000 -13.293) 14.554 96.622 ( -5.254 0.000 11.385) 12.539 97.060 ( -2.725 -0.000 -5.916) 6.514 97.167 ( -3.461 0.000 23.334) 23.589 98.489 ( 0.743 0.000 -23.372) 23.384 ======================= Grid point 160 (87/125) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 2.696 -0.000 -10.777) 11.109 3.102 ( -9.484 0.000 -1.747) 9.643 3.151 ( -1.942 0.000 -0.940) 2.158 3.224 ( 10.368 -0.000 5.445) 11.711 3.470 ( -9.569 0.000 -1.598) 9.702 3.636 ( -4.508 0.000 -8.218) 9.374 3.920 ( -13.912 0.000 1.555) 13.998 3.931 ( 15.886 -0.000 -9.275) 18.396 4.366 ( 1.426 -0.000 17.676) 17.734 4.464 ( -5.660 0.000 6.373) 8.524 4.750 ( -1.838 0.000 0.686) 1.962 4.823 ( 7.186 -0.000 11.498) 13.559 4.874 ( 2.131 0.000 3.398) 4.011 5.033 ( 5.108 0.000 -10.097) 11.315 5.290 ( -2.906 0.000 9.588) 10.019 5.465 ( 3.904 -0.000 -0.353) 3.920 5.468 ( 11.421 0.000 3.981) 12.095 5.591 ( 7.382 0.000 -8.971) 11.617 5.764 ( 7.208 0.000 2.860) 7.754 5.848 ( -5.649 0.000 -0.822) 5.708 6.048 ( 8.638 0.000 -2.974) 9.135 6.063 ( 0.928 0.000 1.614) 1.861 6.346 ( 2.598 0.000 6.617) 7.109 6.380 ( -2.880 0.000 2.033) 3.525 6.444 ( 8.110 0.000 0.427) 8.122 6.510 ( -4.063 0.000 -5.990) 7.238 6.541 ( -5.893 -0.000 10.325) 11.888 7.091 ( 1.055 -0.000 1.434) 1.780 7.121 ( 0.919 0.000 -0.049) 0.920 7.320 ( -12.413 0.000 -5.149) 13.439 7.342 ( -6.723 0.000 -10.247) 12.256 7.743 ( -1.265 0.000 9.723) 9.805 7.749 ( -7.223 -0.000 12.602) 14.525 7.886 ( 11.619 0.000 2.368) 11.858 8.410 ( 8.596 0.000 -15.466) 17.694 8.713 ( 0.440 0.000 -7.974) 7.986 8.742 ( -0.728 0.000 -7.389) 7.425 8.966 ( -8.918 0.000 -1.355) 9.020 9.433 ( -4.717 0.000 4.386) 6.441 9.439 ( -9.650 0.000 -2.420) 9.949 10.435 ( -3.179 0.000 7.616) 8.253 10.990 ( 1.159 0.000 -9.812) 9.880 11.967 ( -0.756 0.000 1.412) 1.602 12.181 ( 2.757 0.000 -4.376) 5.172 12.693 ( -0.117 0.000 2.119) 2.123 12.825 ( -0.223 0.000 -0.324) 0.393 12.943 ( 0.856 0.000 2.533) 2.673 13.001 ( 4.632 0.000 -3.786) 5.982 13.358 ( 0.068 0.000 -2.496) 2.497 13.392 ( -5.879 -0.000 2.565) 6.414 15.606 ( 0.435 0.000 -0.771) 0.885 15.685 ( 3.685 0.000 -1.679) 4.049 15.783 ( 3.491 -0.000 -0.856) 3.595 15.795 ( -3.166 0.000 -2.398) 3.972 16.087 ( -4.208 0.000 5.933) 7.274 16.216 ( -0.256 0.000 8.132) 8.136 16.311 ( 1.481 0.000 1.703) 2.257 16.530 ( -2.681 0.000 1.958) 3.320 16.548 ( 3.136 0.000 -9.766) 10.257 17.048 ( 2.255 0.000 -11.068) 11.296 17.122 ( 0.731 0.000 3.528) 3.603 17.486 ( -0.767 0.000 -4.628) 4.691 21.742 ( 0.018 0.000 2.336) 2.336 22.014 ( -8.266 -0.000 4.535) 9.429 22.030 ( -0.573 0.000 -6.229) 6.255 22.233 ( 0.548 0.000 -5.472) 5.499 22.397 ( 3.787 0.000 5.550) 6.719 22.462 ( -0.124 0.000 5.001) 5.002 22.672 ( -2.452 0.000 2.939) 3.828 22.788 ( 5.425 0.000 0.928) 5.504 22.995 ( -1.629 0.000 2.828) 3.263 23.289 ( -0.586 0.000 -7.003) 7.028 23.540 ( -3.184 0.000 4.527) 5.535 23.590 ( 3.857 0.000 8.558) 9.387 23.716 ( 0.730 0.000 0.155) 0.746 23.914 ( -4.045 0.000 5.781) 7.055 24.597 ( -0.720 0.000 -2.141) 2.259 24.702 ( 2.482 -0.000 11.996) 12.250 24.947 ( -0.253 0.000 0.780) 0.820 25.861 ( 5.610 0.000 -11.209) 12.534 25.921 ( 4.499 0.000 -14.058) 14.760 26.348 ( 1.816 0.000 -9.780) 9.947 27.094 ( -4.122 0.000 -4.419) 6.043 27.364 ( -5.970 0.000 4.000) 7.186 27.413 ( 3.403 0.000 2.185) 4.044 27.864 ( 2.540 0.000 -2.350) 3.461 27.979 ( 1.825 0.000 2.217) 2.871 28.378 ( 9.499 -0.000 6.866) 11.720 28.426 ( 15.600 0.000 -8.337) 17.688 28.463 ( 0.233 0.000 3.159) 3.167 28.947 ( -2.095 -0.000 -13.019) 13.186 29.006 ( 4.895 0.000 -16.202) 16.925 29.141 ( -18.478 0.000 20.512) 27.607 29.838 ( 3.233 0.000 -6.603) 7.352 30.053 ( -8.064 0.000 -1.164) 8.148 30.143 ( -3.456 0.000 -2.327) 4.166 30.417 ( 2.887 0.000 4.275) 5.158 30.626 ( -7.483 0.000 9.391) 12.008 31.405 ( 14.123 0.000 -6.237) 15.439 31.415 ( -0.189 0.000 8.803) 8.805 31.609 ( -2.805 0.000 4.545) 5.341 32.219 ( -16.769 0.000 0.285) 16.771 32.904 ( -3.603 0.000 9.030) 9.722 33.141 ( 3.911 0.000 -4.121) 5.681 33.480 ( 1.231 0.000 -2.988) 3.232 33.938 ( 1.889 0.000 -7.424) 7.661 34.460 ( -6.982 0.000 7.980) 10.604 35.025 ( 7.106 0.000 9.521) 11.881 35.052 ( 4.942 -0.000 -9.823) 10.996 35.475 ( -1.651 0.000 -0.953) 1.906 36.722 ( -2.341 0.000 7.529) 7.885 37.241 ( -2.380 0.000 -7.400) 7.773 37.709 ( 3.914 0.000 6.364) 7.471 37.789 ( -2.608 0.000 5.809) 6.368 37.833 ( -1.484 0.000 3.153) 3.485 38.235 ( -1.641 0.000 -5.171) 5.425 38.319 ( 5.453 0.000 2.395) 5.955 38.652 ( -9.101 0.000 7.518) 11.805 38.796 ( 4.470 0.000 -8.202) 9.341 39.059 ( 5.171 0.000 -8.082) 9.595 39.263 ( 0.151 0.000 1.672) 1.678 39.438 ( -3.429 0.000 -2.168) 4.057 49.079 ( -1.067 0.000 1.702) 2.009 49.204 ( 1.040 0.000 -2.514) 2.721 49.562 ( -0.722 0.000 1.881) 2.015 49.651 ( 1.143 0.000 -1.235) 1.682 86.593 ( 2.077 0.000 1.040) 2.323 86.675 ( -0.812 0.000 0.476) 0.941 87.474 ( 5.740 0.000 -3.727) 6.844 87.496 ( 7.066 -0.000 -4.233) 8.237 89.282 ( 0.077 0.000 -0.204) 0.218 89.388 ( -4.215 0.000 -2.648) 4.977 89.535 ( -0.159 0.000 1.369) 1.378 89.541 ( -6.309 0.000 5.636) 8.459 89.918 ( -2.041 0.000 7.111) 7.398 90.306 ( -0.532 0.000 18.145) 18.153 91.055 ( 6.736 0.000 -21.541) 22.569 91.428 ( 0.790 0.000 -23.175) 23.188 92.194 ( -10.297 0.000 1.688) 10.434 92.542 ( 5.162 0.000 15.682) 16.509 92.615 ( 1.326 0.000 -13.150) 13.216 93.333 ( 4.567 0.000 -3.656) 5.850 95.341 ( -2.843 0.000 18.807) 19.020 95.848 ( -2.202 0.000 5.101) 5.556 95.976 ( 0.198 0.000 -0.050) 0.204 96.567 ( -5.816 -0.000 9.422) 11.072 96.584 ( 2.068 0.000 -14.223) 14.373 97.008 ( 1.109 0.000 -6.818) 6.907 97.195 ( -4.993 0.000 22.227) 22.781 98.451 ( 5.973 0.000 -19.254) 20.159 ======================= Grid point 162 (88/125) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -6.010 0.000 -4.267) 7.371 2.983 ( -10.378 -0.000 -3.521) 10.959 3.130 ( 0.013 -0.000 -1.869) 1.869 3.314 ( -7.463 -0.000 8.529) 11.333 3.427 ( 8.986 0.000 -1.792) 9.163 3.562 ( 0.568 0.000 -3.308) 3.356 3.745 ( -1.523 0.000 -6.349) 6.529 4.144 ( 6.845 0.000 -5.137) 8.558 4.406 ( 0.266 -0.000 3.047) 3.059 4.463 ( 0.882 0.000 14.059) 14.087 4.663 ( -4.638 -0.000 -0.638) 4.682 4.845 ( -5.029 0.000 -2.456) 5.597 4.986 ( 2.156 0.000 2.133) 3.033 5.099 ( 3.894 0.000 6.823) 7.856 5.228 ( -9.935 0.000 15.431) 18.353 5.434 ( -3.309 0.000 -5.519) 6.435 5.579 ( -2.798 0.000 -0.878) 2.932 5.686 ( 4.000 0.000 -6.986) 8.050 5.801 ( 2.378 -0.000 1.326) 2.723 5.857 ( -2.129 0.000 0.569) 2.204 6.041 ( 5.591 0.000 2.528) 6.136 6.166 ( 6.026 0.000 -3.201) 6.824 6.293 ( -7.786 -0.000 -8.227) 11.327 6.372 ( -1.655 0.000 -1.136) 2.007 6.417 ( -7.689 0.000 7.568) 10.789 6.547 ( -1.607 0.000 19.766) 19.831 6.635 ( 9.043 0.000 4.686) 10.185 7.012 ( -13.508 0.000 -4.883) 14.364 7.081 ( -6.548 0.000 -13.483) 14.989 7.128 ( 0.607 0.000 -3.259) 3.315 7.249 ( 4.518 0.000 7.179) 8.482 7.642 ( -3.341 0.000 9.353) 9.932 7.905 ( 6.368 0.000 4.129) 7.590 8.158 ( 13.552 0.000 3.173) 13.919 8.333 ( -3.894 -0.000 -14.364) 14.882 8.651 ( -5.355 0.000 -5.653) 7.787 8.837 ( 0.651 0.000 -11.307) 11.325 8.923 ( 19.699 0.000 -2.958) 19.920 9.377 ( 3.282 0.000 0.246) 3.291 9.453 ( 4.504 -0.000 3.843) 5.921 10.433 ( -0.920 0.000 7.786) 7.840 10.946 ( -0.800 0.000 -9.851) 9.883 11.978 ( 1.141 0.000 1.660) 2.014 12.187 ( 0.186 0.000 -4.718) 4.722 12.702 ( -0.295 0.000 2.878) 2.893 12.774 ( -5.053 0.000 -0.259) 5.060 12.909 ( -3.788 0.000 0.389) 3.808 13.074 ( 4.578 0.000 -2.942) 5.442 13.291 ( -5.441 0.000 1.077) 5.547 13.446 ( 8.445 0.000 -0.336) 8.451 15.608 ( -0.025 0.000 -0.736) 0.736 15.696 ( -3.768 0.000 -0.269) 3.778 15.740 ( 1.047 0.000 -4.286) 4.413 15.833 ( 2.141 0.000 -0.426) 2.183 16.032 ( -4.104 0.000 4.856) 6.358 16.244 ( -1.028 0.000 7.828) 7.895 16.378 ( 4.494 0.000 2.425) 5.107 16.481 ( -3.217 0.000 2.680) 4.188 16.577 ( 4.663 0.000 -9.027) 10.160 17.017 ( 0.188 0.000 -11.676) 11.678 17.172 ( 2.332 0.000 4.328) 4.917 17.428 ( -2.764 0.000 -5.502) 6.157 21.774 ( 1.771 0.000 1.513) 2.330 21.898 ( -5.539 0.000 5.143) 7.558 21.975 ( -1.812 0.000 -5.266) 5.569 22.276 ( 5.947 0.000 -3.700) 7.004 22.459 ( -2.081 0.000 3.693) 4.239 22.461 ( -0.591 -0.000 5.677) 5.707 22.624 ( -3.567 0.000 1.801) 3.996 22.930 ( 7.831 -0.000 2.802) 8.317 22.963 ( -2.173 0.000 2.808) 3.551 23.210 ( -3.393 0.000 -9.247) 9.850 23.480 ( -4.701 0.000 3.540) 5.885 23.684 ( 0.279 0.000 12.915) 12.918 23.783 ( 6.080 0.000 -1.544) 6.273 23.867 ( -3.464 0.000 4.325) 5.541 24.575 ( -0.304 0.000 -2.543) 2.561 24.846 ( 5.028 0.000 15.501) 16.296 24.948 ( -0.325 0.000 1.384) 1.422 25.823 ( -3.029 0.000 -15.680) 15.970 25.906 ( 1.631 0.000 -15.505) 15.590 26.320 ( 0.861 0.000 -10.171) 10.207 27.090 ( 3.741 0.000 1.286) 3.956 27.198 ( -12.382 0.000 1.399) 12.461 27.421 ( -1.998 0.000 1.540) 2.522 27.849 ( -2.864 0.000 -2.487) 3.793 28.030 ( 0.455 0.000 2.675) 2.714 28.412 ( -10.103 0.000 6.248) 11.879 28.531 ( -1.103 -0.000 -7.343) 7.425 28.574 ( 8.470 0.000 5.659) 10.186 28.779 ( -6.531 0.000 -16.135) 17.407 29.025 ( -2.706 -0.000 20.329) 20.508 29.068 ( 9.932 0.000 -18.091) 20.638 29.949 ( -1.035 0.000 -0.420) 1.117 29.958 ( 10.343 0.000 -4.067) 11.114 30.115 ( 2.228 0.000 -2.325) 3.220 30.508 ( 4.029 0.000 5.757) 7.027 30.587 ( -0.700 0.000 6.091) 6.131 31.347 ( -7.254 0.000 1.240) 7.359 31.639 ( 12.717 0.000 -5.174) 13.729 31.714 ( 6.504 -0.000 13.865) 15.315 31.901 ( -15.317 0.000 -1.101) 15.356 32.877 ( -2.966 0.000 5.941) 6.640 33.225 ( 6.471 0.000 -2.280) 6.861 33.491 ( 0.950 0.000 -1.069) 1.430 33.922 ( 0.468 0.000 -9.323) 9.335 34.372 ( -6.386 0.000 8.922) 10.972 35.106 ( 6.051 -0.000 -10.689) 12.282 35.163 ( 2.181 0.000 9.751) 9.992 35.400 ( -5.782 0.000 -0.855) 5.845 36.708 ( -2.956 0.000 7.234) 7.815 37.151 ( -2.761 0.000 -5.914) 6.527 37.644 ( -7.206 0.000 10.246) 12.526 37.851 ( 1.793 0.000 3.831) 4.230 37.980 ( 11.585 0.000 1.571) 11.691 38.154 ( -3.788 0.000 -6.790) 7.775 38.418 ( 4.034 0.000 1.469) 4.293 38.507 ( -9.454 0.000 7.807) 12.261 38.807 ( 1.420 0.000 -9.930) 10.031 39.106 ( 2.314 0.000 -4.918) 5.435 39.323 ( 5.005 0.000 2.297) 5.507 39.409 ( 2.281 0.000 -3.633) 4.289 49.074 ( -0.302 0.000 1.570) 1.598 49.213 ( 1.136 0.000 -2.453) 2.704 49.555 ( -0.970 0.000 1.819) 2.062 49.658 ( 0.126 0.000 -1.139) 1.146 86.631 ( 1.109 0.000 1.774) 2.092 86.650 ( -1.783 -0.000 -0.328) 1.813 87.462 ( -5.212 -0.000 -3.328) 6.184 87.489 ( -5.761 0.000 -4.854) 7.533 89.298 ( -2.932 0.000 -1.115) 3.137 89.299 ( 1.814 0.000 0.238) 1.830 89.480 ( -3.698 0.000 5.778) 6.860 89.571 ( 2.826 0.000 2.228) 3.598 89.934 ( -0.250 0.000 8.722) 8.726 90.372 ( -1.028 0.000 15.173) 15.208 91.023 ( 2.162 0.000 -26.396) 26.484 91.397 ( 6.337 0.000 -17.716) 18.815 92.027 ( -8.784 0.000 3.969) 9.639 92.616 ( 4.711 0.000 -11.177) 12.129 92.694 ( 3.687 0.000 12.947) 13.461 93.378 ( 2.756 0.000 -6.865) 7.398 95.393 ( -1.635 0.000 20.178) 20.244 95.838 ( -1.535 0.000 5.992) 6.186 95.978 ( 0.056 0.000 -0.079) 0.097 96.504 ( -5.081 0.000 8.239) 9.680 96.527 ( 0.291 0.000 -15.939) 15.942 97.034 ( 4.047 0.000 -5.290) 6.661 97.191 ( -6.350 0.000 20.988) 21.928 98.525 ( 11.273 0.000 -18.790) 21.912 ======================= Grid point 164 (89/125) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -19.138 0.000 4.562) 19.675 2.852 ( -1.176 -0.000 -4.912) 5.051 3.123 ( 0.883 -0.000 -3.834) 3.934 3.250 ( -3.395 0.000 9.223) 9.828 3.571 ( 7.210 0.000 -1.475) 7.359 3.650 ( 8.736 0.000 3.325) 9.347 3.796 ( 8.291 -0.000 -7.752) 11.351 4.062 ( -9.991 0.000 -1.642) 10.125 4.466 ( -6.562 0.000 1.083) 6.650 4.541 ( 7.675 0.000 -3.501) 8.436 4.623 ( -0.994 -0.000 11.083) 11.127 4.699 ( -6.202 0.000 -3.657) 7.200 4.968 ( -2.153 0.000 -3.622) 4.214 5.070 ( -14.805 0.000 17.493) 22.917 5.175 ( -0.506 0.000 10.403) 10.415 5.321 ( -5.587 0.000 -2.711) 6.210 5.473 ( -4.934 0.000 -4.586) 6.736 5.671 ( 1.390 0.000 -7.886) 8.008 5.798 ( -5.986 -0.000 -0.874) 6.050 5.916 ( 6.314 0.000 -0.755) 6.359 6.027 ( -14.384 0.000 -10.774) 17.972 6.155 ( 3.413 0.000 0.881) 3.525 6.243 ( -0.916 0.000 1.583) 1.829 6.268 ( -6.284 -0.000 3.549) 7.217 6.376 ( 3.124 0.000 7.833) 8.433 6.607 ( -3.330 0.000 22.771) 23.013 6.757 ( -9.186 0.000 -8.921) 12.805 6.777 ( 4.599 0.000 -1.090) 4.726 6.920 ( -4.483 0.000 -4.355) 6.250 7.216 ( 6.379 0.000 1.203) 6.491 7.365 ( 4.539 0.000 1.168) 4.687 7.668 ( 2.708 0.000 0.999) 2.886 7.935 ( -1.564 0.000 -7.589) 7.748 8.279 ( 1.285 0.000 1.156) 1.728 8.320 ( 2.727 0.000 3.171) 4.183 8.512 ( -6.672 0.000 -4.085) 7.823 8.960 ( 16.648 0.000 -11.347) 20.147 9.277 ( 18.415 0.000 -3.832) 18.809 9.540 ( 13.735 0.000 -0.125) 13.735 9.620 ( 11.585 -0.000 3.080) 11.988 10.468 ( 0.879 0.000 6.413) 6.472 10.874 ( -2.202 0.000 -9.065) 9.329 12.021 ( 2.711 -0.000 1.016) 2.895 12.147 ( -2.310 0.000 -3.393) 4.105 12.653 ( -7.613 0.000 1.204) 7.708 12.698 ( -1.810 0.000 2.694) 3.245 12.849 ( -2.618 0.000 0.111) 2.620 13.110 ( -0.225 0.000 -3.195) 3.203 13.247 ( 1.374 0.000 1.485) 2.023 13.606 ( 8.228 0.000 -0.959) 8.284 15.592 ( -1.401 0.000 -0.734) 1.582 15.603 ( -5.300 0.000 0.165) 5.303 15.753 ( 2.129 0.000 -4.500) 4.978 15.854 ( 0.382 0.000 -0.894) 0.973 15.989 ( -2.775 0.000 4.628) 5.397 16.250 ( -1.816 0.000 6.831) 7.068 16.453 ( -1.663 -0.000 4.742) 5.025 16.478 ( 4.760 0.000 0.507) 4.787 16.633 ( 5.838 0.000 -8.171) 10.042 16.952 ( -1.218 0.000 -11.314) 11.380 17.232 ( 1.707 0.000 4.023) 4.370 17.348 ( -2.763 0.000 -5.006) 5.718 21.757 ( -3.429 0.000 2.359) 4.163 21.931 ( 5.050 -0.000 5.216) 7.260 21.935 ( -0.199 0.000 -2.997) 3.003 22.392 ( 5.893 0.000 0.400) 5.907 22.417 ( -5.556 0.000 4.784) 7.332 22.432 ( -0.408 -0.000 -0.917) 1.004 22.576 ( -2.850 0.000 1.238) 3.107 22.958 ( -0.520 -0.000 4.528) 4.558 23.049 ( 2.736 0.000 -1.052) 2.932 23.096 ( -4.158 0.000 -6.363) 7.601 23.431 ( -1.539 0.000 3.103) 3.464 23.715 ( -3.643 0.000 13.228) 13.720 23.840 ( -0.969 0.000 3.799) 3.921 23.882 ( 4.981 0.000 -2.353) 5.509 24.568 ( 0.955 0.000 -2.809) 2.967 24.938 ( -1.344 0.000 2.817) 3.121 24.989 ( 2.146 0.000 11.703) 11.898 25.651 ( -5.384 0.000 -18.110) 18.894 25.848 ( -0.341 0.000 -13.219) 13.224 26.291 ( 0.344 0.000 -7.515) 7.523 26.980 ( -11.172 0.000 3.933) 11.844 27.197 ( 5.678 -0.000 2.724) 6.297 27.402 ( -0.190 0.000 2.105) 2.114 27.754 ( -5.357 0.000 -2.307) 5.833 27.927 ( -13.327 0.000 0.069) 13.327 28.264 ( -6.267 0.000 9.294) 11.209 28.343 ( -13.812 0.000 -3.700) 14.299 28.656 ( 2.518 0.000 -20.512) 20.666 28.726 ( 5.181 0.000 2.248) 5.648 29.146 ( 7.106 -0.000 -19.368) 20.631 29.158 ( 4.608 0.000 20.354) 20.870 29.991 ( 5.149 0.000 2.966) 5.942 30.148 ( 10.037 -0.000 -2.592) 10.367 30.189 ( 5.285 0.000 -0.499) 5.309 30.618 ( 5.320 0.000 4.909) 7.239 30.638 ( 4.085 -0.000 -1.218) 4.262 31.215 ( -6.209 0.000 -2.416) 6.662 31.566 ( -12.967 0.000 0.816) 12.993 31.894 ( 3.544 0.000 18.831) 19.162 31.926 ( 13.345 0.000 -5.195) 14.321 32.861 ( -0.935 0.000 3.424) 3.549 33.350 ( 7.857 0.000 -1.378) 7.977 33.500 ( -0.013 0.000 0.573) 0.573 33.863 ( -1.526 0.000 -12.105) 12.201 34.324 ( -3.789 0.000 11.644) 12.245 35.172 ( 6.406 -0.000 -10.682) 12.456 35.179 ( -4.908 0.000 8.378) 9.709 35.272 ( -6.808 0.000 -2.196) 7.153 36.685 ( -3.290 0.000 8.756) 9.354 37.116 ( 0.952 0.000 -1.711) 1.958 37.557 ( -8.099 0.000 12.001) 14.479 37.932 ( 4.837 0.000 3.896) 6.211 38.047 ( -3.915 0.000 -7.343) 8.322 38.119 ( 1.727 0.000 -2.145) 2.754 38.428 ( -0.075 0.000 3.785) 3.786 38.490 ( 2.319 0.000 3.381) 4.100 38.765 ( -0.297 0.000 -11.477) 11.481 39.096 ( -0.841 0.000 -3.080) 3.193 39.450 ( 7.227 0.000 1.338) 7.350 39.475 ( 6.022 0.000 -4.340) 7.422 49.082 ( 0.511 0.000 1.331) 1.426 49.221 ( 0.804 0.000 -2.185) 2.328 49.546 ( -0.789 0.000 1.529) 1.721 49.645 ( -0.912 0.000 -0.909) 1.288 86.622 ( -0.321 0.000 -1.031) 1.080 86.644 ( -0.773 0.000 2.159) 2.293 87.270 ( -14.160 -0.000 -3.792) 14.659 87.275 ( -12.586 0.000 -2.455) 12.824 89.291 ( 1.912 0.000 0.399) 1.953 89.344 ( 2.467 0.000 0.690) 2.562 89.457 ( -1.492 0.000 5.681) 5.874 89.637 ( 2.687 0.000 2.103) 3.412 89.981 ( 0.366 0.000 9.906) 9.913 90.400 ( -3.391 0.000 13.705) 14.118 90.930 ( 2.011 0.000 -26.311) 26.388 91.468 ( 9.134 0.000 -16.471) 18.834 91.922 ( -5.153 0.000 6.930) 8.636 92.679 ( 7.056 0.000 -8.899) 11.357 92.787 ( 0.629 0.000 9.761) 9.781 93.363 ( 0.034 0.000 -10.965) 10.966 95.448 ( -3.094 0.000 19.843) 20.083 95.853 ( -0.206 0.000 7.288) 7.291 95.977 ( -0.106 0.000 -0.137) 0.173 96.470 ( 1.965 -0.000 -16.586) 16.702 96.474 ( -2.127 0.000 9.089) 9.335 97.087 ( 3.612 0.000 -3.501) 5.030 97.157 ( -7.631 0.000 20.154) 21.550 98.664 ( 13.215 0.000 -21.945) 25.617 ======================= Grid point 166 (90/125) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -10.630 0.000 10.893) 15.221 2.881 ( 6.419 -0.000 -0.669) 6.454 3.148 ( 4.813 -0.000 -6.373) 7.986 3.258 ( -1.805 0.000 10.114) 10.274 3.673 ( 4.956 -0.000 -3.591) 6.120 3.802 ( -7.889 0.000 7.933) 11.188 3.909 ( 5.149 -0.000 -2.294) 5.637 3.926 ( 9.645 0.000 -4.586) 10.680 4.311 ( -6.382 0.000 -2.404) 6.820 4.395 ( -13.301 0.000 -5.933) 14.564 4.668 ( -1.031 0.000 11.511) 11.557 4.783 ( 8.333 0.000 -0.417) 8.343 4.898 ( -12.237 0.000 19.491) 23.014 4.919 ( -0.834 0.000 -3.977) 4.063 5.143 ( -7.381 0.000 3.491) 8.165 5.199 ( -5.575 -0.000 -9.475) 10.993 5.423 ( 1.892 0.000 -0.886) 2.089 5.586 ( -12.845 -0.000 -5.092) 13.818 5.678 ( 1.051 0.000 -6.651) 6.734 5.753 ( -8.045 0.000 -4.011) 8.990 6.007 ( 3.801 0.000 -3.472) 5.148 6.146 ( -6.028 0.000 5.793) 8.360 6.168 ( -1.303 -0.000 -0.768) 1.513 6.262 ( -1.195 0.000 1.860) 2.211 6.536 ( 7.757 0.000 7.530) 10.810 6.597 ( -7.985 0.000 14.385) 16.452 6.616 ( -1.396 0.000 -7.191) 7.325 6.773 ( -2.445 0.000 -2.508) 3.503 6.920 ( 5.298 0.000 -1.174) 5.427 7.318 ( 3.722 -0.000 3.430) 5.061 7.452 ( 4.462 0.000 2.964) 5.357 7.732 ( 5.622 0.000 -6.866) 8.874 7.877 ( -0.642 0.000 -3.907) 3.959 8.300 ( -1.797 -0.000 4.209) 4.577 8.301 ( -8.669 0.000 2.694) 9.078 8.420 ( 1.975 0.000 -4.124) 4.572 9.212 ( 12.654 0.000 -6.005) 14.006 9.511 ( 8.998 0.000 -6.399) 11.041 9.837 ( 17.389 0.000 -2.311) 17.542 9.856 ( 9.943 -0.000 2.744) 10.315 10.507 ( 0.116 0.000 4.249) 4.251 10.798 ( -0.788 0.000 -7.748) 7.788 12.076 ( 2.630 -0.000 -0.434) 2.666 12.080 ( -3.464 0.000 -0.826) 3.561 12.535 ( -5.420 0.000 3.128) 6.258 12.661 ( -2.897 0.000 1.752) 3.385 12.817 ( -1.068 0.000 0.959) 1.435 13.069 ( -1.398 0.000 -4.329) 4.550 13.324 ( 4.496 0.000 3.517) 5.709 13.713 ( 3.866 0.000 -2.678) 4.703 15.519 ( -3.630 0.000 0.376) 3.650 15.556 ( -1.744 0.000 -0.805) 1.921 15.780 ( 3.045 0.000 -3.959) 4.995 15.836 ( -1.600 0.000 -1.858) 2.452 15.978 ( -0.892 0.000 5.072) 5.149 16.251 ( -1.554 0.000 7.302) 7.466 16.460 ( -0.244 -0.000 5.267) 5.273 16.523 ( 0.983 0.000 -4.989) 5.085 16.708 ( 4.653 0.000 -6.346) 7.869 16.882 ( 0.070 0.000 -10.151) 10.151 17.262 ( -0.460 0.000 3.000) 3.035 17.305 ( 0.714 0.000 -2.759) 2.850 21.724 ( -1.533 0.000 4.190) 4.461 21.944 ( 2.048 0.000 -0.814) 2.204 22.054 ( 4.671 0.000 4.140) 6.242 22.361 ( -2.112 0.000 4.307) 4.797 22.370 ( -3.501 0.000 0.561) 3.545 22.523 ( -3.125 0.000 2.957) 4.302 22.537 ( 6.956 0.000 -3.347) 7.720 22.966 ( -1.478 -0.000 4.854) 5.074 22.982 ( -1.824 0.000 -7.695) 7.908 23.043 ( -4.252 0.000 0.216) 4.257 23.454 ( 1.996 0.000 2.563) 3.249 23.667 ( -7.310 0.000 9.937) 12.336 23.873 ( 2.112 0.000 4.744) 5.193 23.932 ( 1.614 0.000 -2.408) 2.899 24.582 ( 1.813 0.000 -2.607) 3.176 24.916 ( -2.304 0.000 2.054) 3.086 25.024 ( -2.574 0.000 5.776) 6.323 25.510 ( -0.378 0.000 -16.148) 16.153 25.785 ( -0.747 0.000 -8.511) 8.544 26.264 ( 0.168 0.000 -5.448) 5.450 26.863 ( -4.246 0.000 8.629) 9.617 27.298 ( 4.672 0.000 0.487) 4.697 27.446 ( 3.446 0.000 3.408) 4.846 27.642 ( -14.895 -0.000 -0.068) 14.895 27.671 ( -2.001 0.000 -1.656) 2.597 28.074 ( -12.379 0.000 -5.209) 13.431 28.237 ( -2.223 0.000 6.632) 6.994 28.658 ( 7.213 0.000 -17.936) 19.332 28.770 ( -0.813 -0.000 -0.345) 0.883 29.147 ( 3.080 0.000 -18.961) 19.210 29.344 ( 4.568 0.000 21.768) 22.242 30.118 ( 5.139 0.000 3.863) 6.429 30.253 ( 0.495 -0.000 1.248) 1.342 30.283 ( 5.699 0.000 -1.450) 5.881 30.694 ( 4.389 0.000 -8.959) 9.977 30.732 ( 4.201 -0.000 1.275) 4.391 31.122 ( -1.651 0.000 -2.763) 3.219 31.379 ( -8.612 0.000 4.742) 9.831 31.990 ( -2.958 0.000 19.588) 19.810 32.141 ( 12.041 0.000 -4.466) 12.842 32.874 ( 0.431 0.000 3.696) 3.721 33.490 ( 7.374 0.000 -1.387) 7.504 33.496 ( -0.748 -0.000 0.889) 1.162 33.761 ( -2.580 0.000 -12.902) 13.158 34.341 ( -0.714 0.000 12.900) 12.920 35.080 ( -8.957 0.000 6.820) 11.258 35.140 ( -5.007 0.000 -3.906) 6.350 35.248 ( 6.473 0.000 -9.667) 11.634 36.676 ( -2.489 0.000 10.693) 10.979 37.157 ( 3.120 0.000 1.018) 3.282 37.458 ( -8.503 0.000 12.528) 15.141 37.958 ( -1.978 0.000 -6.586) 6.876 38.048 ( 5.314 -0.000 3.685) 6.466 38.077 ( -3.010 0.000 -0.069) 3.011 38.444 ( -0.509 0.000 -3.569) 3.605 38.580 ( 5.118 0.000 5.114) 7.235 38.701 ( -0.228 0.000 -12.304) 12.306 39.062 ( -0.921 0.000 -3.565) 3.682 39.561 ( 4.903 0.000 -3.644) 6.109 39.564 ( 4.007 -0.000 -1.096) 4.154 49.101 ( 0.805 0.000 1.099) 1.362 49.221 ( 0.240 0.000 -1.892) 1.908 49.542 ( -0.272 0.000 1.209) 1.239 49.620 ( -1.234 0.000 -0.643) 1.391 86.629 ( -1.742 0.000 2.383) 2.951 86.650 ( 4.533 0.000 -1.473) 4.767 87.008 ( -10.904 0.000 -2.050) 11.095 87.021 ( -12.966 0.000 -1.159) 13.017 89.345 ( 3.213 0.000 -0.295) 3.227 89.381 ( 0.919 0.000 0.378) 0.994 89.487 ( 1.773 0.000 7.258) 7.471 89.676 ( 0.543 0.000 1.435) 1.535 90.025 ( -0.847 0.000 9.642) 9.679 90.376 ( -6.072 0.000 14.159) 15.406 90.873 ( 4.561 0.000 -23.779) 24.213 91.558 ( 8.865 0.000 -17.838) 19.920 91.906 ( -0.808 0.000 10.150) 10.182 92.783 ( 7.953 0.000 -6.751) 10.432 92.804 ( -3.007 -0.000 6.751) 7.391 93.278 ( -2.769 0.000 -14.180) 14.447 95.451 ( -5.934 0.000 17.785) 18.749 95.888 ( -0.159 0.000 7.188) 7.190 95.973 ( -0.171 0.000 -0.190) 0.256 96.449 ( 4.048 -0.000 -16.208) 16.706 96.520 ( 1.410 0.000 12.601) 12.679 97.105 ( -7.816 0.000 20.090) 21.557 97.129 ( 2.407 0.000 -2.225) 3.278 98.768 ( 9.498 0.000 -26.554) 28.201 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 17.328 0.000 29.660) 34.351 2.092 ( -10.737 0.000 -24.154) 26.433 2.454 ( -4.098 0.000 34.314) 34.558 3.066 ( 4.793 0.000 -26.348) 26.780 3.351 ( -10.562 0.000 40.182) 41.547 3.827 ( 8.366 0.000 -9.487) 12.649 4.266 ( -10.510 0.000 9.790) 14.363 4.323 ( -5.147 0.000 10.795) 11.959 4.503 ( 1.581 0.000 -1.858) 2.440 4.533 ( -4.882 0.000 -8.497) 9.800 4.616 ( -0.158 0.000 0.101) 0.187 4.711 ( 1.802 0.000 -4.708) 5.041 4.833 ( 7.954 0.000 -2.274) 8.272 4.886 ( -1.574 0.000 -4.162) 4.449 5.359 ( 2.553 0.000 5.381) 5.956 5.436 ( -1.864 0.000 -6.828) 7.078 5.441 ( 2.526 0.000 -0.361) 2.551 5.522 ( -1.134 0.000 -3.185) 3.381 5.577 ( 0.132 0.000 4.090) 4.092 5.704 ( -1.016 0.000 -7.834) 7.900 6.080 ( -4.448 0.000 6.109) 7.557 6.179 ( 0.407 0.000 -3.961) 3.982 6.250 ( -5.703 0.000 0.352) 5.714 6.295 ( 17.796 0.000 -4.323) 18.314 6.649 ( 3.523 0.000 4.010) 5.338 6.774 ( -9.670 0.000 -1.298) 9.757 6.800 ( -9.155 0.000 -7.869) 12.072 6.819 ( 11.333 0.000 -8.205) 13.991 7.341 ( -0.327 0.000 5.673) 5.683 7.363 ( 8.228 0.000 1.237) 8.321 7.394 ( -5.108 0.000 -1.428) 5.303 7.449 ( -5.582 0.000 -4.731) 7.317 8.159 ( 1.883 0.000 1.908) 2.681 8.159 ( 4.315 0.000 2.019) 4.763 8.686 ( -2.547 0.000 1.422) 2.917 8.712 ( 1.822 0.000 -0.924) 2.043 9.053 ( 1.335 0.000 8.017) 8.128 9.201 ( -1.196 0.000 -7.333) 7.430 9.729 ( -1.669 0.000 1.488) 2.237 9.803 ( 3.063 0.000 -6.048) 6.779 10.245 ( -1.244 0.000 3.319) 3.545 10.292 ( 2.117 0.000 -1.726) 2.731 12.066 ( -0.742 0.000 0.872) 1.145 12.084 ( -0.239 0.000 -0.953) 0.983 12.345 ( 1.404 0.000 2.359) 2.745 12.380 ( 0.334 0.000 -1.351) 1.392 12.876 ( -2.691 0.000 4.947) 5.632 12.960 ( 2.380 0.000 -3.819) 4.500 13.445 ( -2.673 0.000 9.888) 10.243 13.626 ( 1.525 0.000 -8.881) 9.011 15.567 ( 1.253 0.000 0.522) 1.358 15.584 ( -0.980 0.000 -1.196) 1.546 15.819 ( -2.217 0.000 0.091) 2.219 15.830 ( 2.279 0.000 -1.216) 2.583 16.177 ( -1.773 0.000 2.009) 2.680 16.243 ( 1.597 0.000 -4.880) 5.135 16.568 ( 3.416 0.000 5.313) 6.316 16.648 ( -3.390 0.000 -3.126) 4.612 16.828 ( 1.400 0.000 3.889) 4.134 16.917 ( -2.982 0.000 -4.857) 5.699 17.221 ( -4.203 0.000 3.323) 5.357 17.274 ( 5.006 0.000 -2.471) 5.583 22.099 ( -1.636 0.000 2.498) 2.986 22.134 ( -2.696 0.000 0.201) 2.704 22.174 ( 4.250 0.000 0.282) 4.259 22.202 ( -1.476 0.000 -1.455) 2.073 22.540 ( 3.281 0.000 4.925) 5.917 22.635 ( -1.069 0.000 -4.750) 4.869 22.661 ( -1.213 0.000 2.974) 3.212 22.711 ( -0.465 0.000 -2.466) 2.510 23.139 ( -4.961 0.000 1.023) 5.066 23.158 ( 6.327 0.000 -0.586) 6.354 23.567 ( -1.854 0.000 1.579) 2.435 23.607 ( 1.088 0.000 -2.503) 2.729 23.891 ( -7.892 0.000 6.710) 10.359 23.949 ( 5.793 0.000 -0.270) 5.799 24.575 ( -4.952 0.000 9.636) 10.834 24.888 ( 7.854 0.000 -21.146) 22.557 25.286 ( -0.045 0.000 6.541) 6.541 25.384 ( -2.602 0.000 -2.962) 3.942 26.071 ( -1.869 0.000 2.855) 3.412 26.124 ( 1.704 0.000 -0.457) 1.764 27.049 ( -0.621 0.000 17.813) 17.824 27.315 ( 2.744 0.000 -4.406) 5.191 27.360 ( 2.624 0.000 -1.858) 3.215 27.426 ( -9.183 0.000 -14.217) 16.925 27.689 ( -3.065 0.000 13.769) 14.106 28.041 ( 6.108 0.000 -22.405) 23.223 28.770 ( 5.507 0.000 0.455) 5.526 28.811 ( 3.097 0.000 -3.730) 4.848 29.134 ( -5.402 0.000 4.408) 6.972 29.170 ( 4.812 0.000 0.514) 4.840 29.728 ( 8.536 0.000 3.276) 9.143 29.806 ( -8.439 0.000 -4.851) 9.734 30.120 ( -3.891 0.000 5.861) 7.035 30.188 ( 3.985 0.000 -1.587) 4.290 30.407 ( 7.164 0.000 1.406) 7.301 30.425 ( -8.461 0.000 0.089) 8.462 31.003 ( 4.239 0.000 14.608) 15.211 31.342 ( -2.946 0.000 -19.949) 20.165 31.519 ( 5.081 0.000 7.473) 9.037 31.655 ( -7.732 0.000 -7.037) 10.455 32.979 ( 6.561 0.000 7.358) 9.858 33.081 ( -3.796 0.000 -3.048) 4.868 33.470 ( -9.593 0.000 10.635) 14.322 33.645 ( 5.940 0.000 -7.499) 9.567 34.796 ( -1.137 0.000 4.581) 4.720 34.848 ( 2.721 0.000 -0.956) 2.884 35.079 ( -8.154 0.000 6.364) 10.343 35.214 ( 7.170 0.000 -7.185) 10.150 36.486 ( -2.597 0.000 3.402) 4.280 36.531 ( 1.799 0.000 -1.588) 2.400 37.805 ( -7.410 0.000 5.224) 9.066 37.834 ( 4.984 0.000 1.389) 5.173 38.128 ( 1.147 0.000 4.956) 5.087 38.259 ( 3.923 0.000 -8.347) 9.223 38.370 ( -3.177 0.000 -0.671) 3.247 38.402 ( 3.307 0.000 -4.194) 5.341 39.079 ( 4.793 0.000 1.548) 5.037 39.103 ( -6.980 0.000 -1.010) 7.053 39.492 ( -3.182 0.000 1.272) 3.427 39.528 ( 3.552 0.000 -2.425) 4.301 49.267 ( -0.022 0.000 2.745) 2.745 49.324 ( -0.029 0.000 -3.142) 3.142 49.465 ( -3.034 0.000 1.625) 3.442 49.494 ( 2.066 0.000 -1.309) 2.446 86.552 ( -3.176 0.000 -0.255) 3.186 86.557 ( 3.345 0.000 -0.821) 3.444 86.979 ( -9.643 0.000 5.098) 10.907 87.070 ( 11.245 0.000 -4.489) 12.108 89.492 ( -2.410 0.000 0.666) 2.500 89.496 ( 2.805 0.000 0.497) 2.849 89.674 ( -1.282 0.000 2.198) 2.545 89.717 ( 1.314 0.000 -2.438) 2.769 90.797 ( 6.911 0.000 9.939) 12.106 90.994 ( -2.541 0.000 -10.329) 10.637 91.089 ( -7.728 0.000 3.020) 8.298 91.154 ( 8.346 0.000 -4.012) 9.260 92.205 ( 4.111 0.000 4.435) 6.048 92.264 ( -2.751 0.000 -1.386) 3.080 93.036 ( -8.698 0.000 9.464) 12.854 93.260 ( 5.354 0.000 -14.591) 15.542 95.454 ( -2.334 0.000 6.300) 6.718 95.580 ( 2.389 0.000 -7.048) 7.442 96.343 ( -2.436 0.000 9.824) 10.121 96.371 ( 0.827 0.000 4.956) 5.025 96.795 ( 3.174 0.000 -1.529) 3.523 96.872 ( -2.553 0.000 -5.121) 5.722 97.005 ( 3.049 0.000 0.607) 3.109 97.090 ( -2.563 0.000 -5.689) 6.240 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 9.875 0.000 -28.043) 29.731 2.141 ( 29.240 0.000 20.270) 35.579 2.567 ( -0.824 0.000 31.597) 31.608 3.053 ( 8.357 0.000 -30.252) 31.385 3.328 ( -11.209 0.000 33.403) 35.234 3.931 ( 6.678 0.000 -11.424) 13.233 4.129 ( -13.414 0.000 30.682) 33.486 4.285 ( -5.754 0.000 9.573) 11.169 4.435 ( 0.508 0.000 -6.272) 6.293 4.555 ( 3.881 0.000 -2.326) 4.525 4.668 ( 7.660 0.000 -4.121) 8.698 4.744 ( 4.600 0.000 -1.076) 4.724 4.800 ( -5.239 0.000 -8.479) 9.967 4.921 ( 1.794 0.000 2.067) 2.737 5.300 ( -9.225 0.000 -5.595) 10.789 5.453 ( 3.845 0.000 3.507) 5.204 5.510 ( 3.624 0.000 -1.440) 3.899 5.529 ( 3.412 0.000 -3.841) 5.137 5.592 ( -1.019 0.000 7.508) 7.577 5.704 ( 5.214 0.000 -6.285) 8.166 5.935 ( -10.997 0.000 0.058) 10.997 6.157 ( -0.956 0.000 -2.693) 2.857 6.198 ( -0.567 0.000 -1.742) 1.832 6.491 ( 2.302 0.000 -11.833) 12.055 6.519 ( -11.881 0.000 1.355) 11.958 6.626 ( -0.502 0.000 -5.589) 5.612 6.820 ( 6.830 0.000 8.313) 10.759 6.934 ( 0.558 0.000 -2.288) 2.356 7.281 ( -7.831 0.000 -0.957) 7.890 7.310 ( 0.683 0.000 1.843) 1.965 7.430 ( 5.874 0.000 3.512) 6.844 7.609 ( 15.645 0.000 -1.115) 15.685 8.163 ( -0.011 0.000 -4.106) 4.106 8.218 ( 1.886 0.000 -5.356) 5.679 8.713 ( 4.722 0.000 2.890) 5.536 8.783 ( 4.376 0.000 -0.876) 4.463 9.091 ( -1.480 0.000 7.818) 7.957 9.119 ( -3.507 0.000 -7.638) 8.405 9.608 ( -12.605 0.000 2.714) 12.894 9.770 ( -3.060 0.000 -6.265) 6.973 10.146 ( -10.278 0.000 2.082) 10.486 10.244 ( -5.281 0.000 -3.617) 6.401 12.008 ( -4.963 0.000 1.109) 5.086 12.025 ( -4.326 0.000 0.251) 4.333 12.420 ( 4.545 0.000 1.252) 4.714 12.431 ( 5.044 0.000 -3.648) 6.226 12.822 ( -5.166 0.000 4.633) 6.939 12.954 ( -1.005 0.000 -3.655) 3.791 13.450 ( -2.058 0.000 10.550) 10.749 13.613 ( 1.517 0.000 -8.168) 8.308 15.585 ( 1.648 0.000 -1.856) 2.483 15.603 ( 1.969 0.000 0.904) 2.167 15.791 ( -0.490 0.000 0.290) 0.569 15.864 ( 1.810 0.000 -1.033) 2.084 16.170 ( -0.414 0.000 2.497) 2.531 16.269 ( 3.520 0.000 -3.567) 5.011 16.577 ( -2.634 0.000 -3.445) 4.337 16.657 ( 3.256 0.000 4.117) 5.249 16.848 ( -2.017 0.000 -3.684) 4.201 16.872 ( 0.970 0.000 6.431) 6.504 17.147 ( -5.075 0.000 2.051) 5.474 17.341 ( 3.527 0.000 -3.381) 4.885 22.044 ( -3.848 0.000 1.722) 4.216 22.083 ( -2.350 0.000 2.008) 3.091 22.223 ( 2.465 0.000 0.165) 2.470 22.277 ( 6.171 0.000 -0.078) 6.172 22.539 ( -6.158 0.000 -6.103) 8.670 22.602 ( 1.461 0.000 2.718) 3.086 22.644 ( -2.339 0.000 3.502) 4.212 22.686 ( -1.618 0.000 -0.538) 1.705 23.036 ( -5.372 0.000 0.862) 5.441 23.240 ( 2.633 0.000 -2.903) 3.919 23.568 ( 1.470 0.000 3.096) 3.427 23.628 ( 1.771 0.000 -2.143) 2.780 23.822 ( -2.761 0.000 7.152) 7.667 24.065 ( 5.668 0.000 0.248) 5.673 24.513 ( -6.353 0.000 9.965) 11.817 24.914 ( 5.624 0.000 -21.501) 22.224 25.344 ( 1.846 0.000 8.266) 8.470 25.365 ( 1.938 0.000 -1.044) 2.202 26.074 ( 0.644 0.000 1.928) 2.033 26.170 ( 3.303 0.000 -0.849) 3.410 27.091 ( -1.295 0.000 13.529) 13.591 27.248 ( -3.302 0.000 -6.765) 7.527 27.408 ( 8.493 0.000 -6.779) 10.867 27.569 ( 17.608 0.000 6.773) 18.866 27.721 ( -0.422 0.000 11.401) 11.409 28.046 ( 5.228 0.000 -21.993) 22.606 28.750 ( -7.002 0.000 -4.320) 8.227 28.752 ( -3.918 0.000 -9.043) 9.855 29.096 ( -1.708 0.000 -0.416) 1.758 29.260 ( 3.493 0.000 0.265) 3.503 29.626 ( -6.834 0.000 -2.268) 7.200 29.892 ( 6.057 0.000 1.507) 6.241 30.067 ( -4.171 0.000 4.614) 6.220 30.237 ( 2.776 0.000 -2.528) 3.755 30.280 ( -6.751 0.000 1.131) 6.845 30.563 ( 7.893 0.000 2.505) 8.281 31.123 ( 0.774 0.000 15.209) 15.229 31.153 ( -6.640 0.000 -18.983) 20.111 31.478 ( -6.734 0.000 -5.773) 8.870 31.618 ( 0.492 0.000 9.251) 9.264 32.953 ( -6.413 0.000 -6.029) 8.802 33.038 ( -5.376 0.000 2.929) 6.122 33.382 ( -3.261 0.000 14.680) 15.038 33.722 ( 4.907 0.000 -6.377) 8.046 34.746 ( -6.236 0.000 1.953) 6.534 34.867 ( 0.535 0.000 -3.562) 3.602 34.979 ( -4.933 0.000 9.019) 10.280 35.305 ( 5.112 0.000 -6.419) 8.206 36.511 ( 3.537 0.000 2.556) 4.364 36.607 ( 6.302 0.000 -0.575) 6.328 37.746 ( -1.454 0.000 4.533) 4.760 37.964 ( 7.291 0.000 2.976) 7.876 38.127 ( -2.638 0.000 1.091) 2.854 38.233 ( -1.777 0.000 -8.012) 8.207 38.331 ( -0.833 0.000 -2.900) 3.017 38.451 ( 3.689 0.000 -2.811) 4.637 38.962 ( -7.167 0.000 0.097) 7.168 39.129 ( -1.562 0.000 4.304) 4.578 39.455 ( -0.445 0.000 -0.119) 0.461 39.565 ( 1.444 0.000 -1.559) 2.125 49.275 ( -0.662 0.000 2.871) 2.946 49.308 ( 0.019 0.000 -2.999) 2.999 49.434 ( -1.166 0.000 2.358) 2.631 49.526 ( 1.753 0.000 -0.721) 1.896 86.498 ( -1.735 0.000 -0.278) 1.757 86.580 ( -0.364 0.000 -1.418) 1.464 87.002 ( 9.043 0.000 7.661) 11.852 87.418 ( 26.531 0.000 -10.071) 28.378 89.442 ( -3.046 0.000 0.079) 3.047 89.542 ( 1.941 0.000 -0.143) 1.946 89.649 ( -2.415 0.000 2.073) 3.182 89.713 ( -0.455 0.000 -2.381) 2.424 90.865 ( -4.148 0.000 -13.390) 14.018 90.867 ( -7.993 0.000 1.416) 8.117 91.023 ( 4.148 0.000 5.946) 7.250 91.290 ( 7.253 0.000 -3.951) 8.259 92.162 ( -6.357 0.000 -3.133) 7.087 92.268 ( 0.162 0.000 1.302) 1.312 92.933 ( -6.972 0.000 13.453) 15.153 93.296 ( 3.851 0.000 -8.176) 9.037 95.439 ( -2.334 0.000 6.128) 6.557 95.594 ( 2.544 0.000 -6.977) 7.426 96.316 ( -4.034 0.000 5.554) 6.865 96.386 ( -1.840 0.000 4.755) 5.098 96.749 ( -5.393 0.000 -7.401) 9.157 96.809 ( -3.263 0.000 3.157) 4.540 97.042 ( 1.670 0.000 -5.361) 5.615 97.108 ( 5.359 0.000 2.207) 5.796 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 24.297 0.000 -20.354) 31.696 2.695 ( -0.216 0.000 25.417) 25.418 2.721 ( 22.491 0.000 12.312) 25.640 3.082 ( 7.836 0.000 -26.311) 27.453 3.245 ( -9.574 0.000 21.958) 23.955 3.926 ( -2.427 0.000 -5.040) 5.594 4.099 ( -7.467 0.000 39.196) 39.901 4.205 ( -2.250 0.000 -6.234) 6.628 4.483 ( 3.221 0.000 1.575) 3.586 4.570 ( -5.046 0.000 1.712) 5.328 4.638 ( -2.445 0.000 -7.779) 8.154 4.858 ( 11.176 0.000 -3.449) 11.696 4.886 ( 5.165 0.000 -1.639) 5.419 4.937 ( 1.269 0.000 11.546) 11.615 5.083 ( -9.629 0.000 -4.570) 10.658 5.431 ( -5.973 0.000 3.392) 6.869 5.539 ( 1.685 0.000 -3.392) 3.787 5.589 ( 4.837 0.000 -5.263) 7.147 5.649 ( 1.695 0.000 2.525) 3.041 5.763 ( -5.948 0.000 -2.085) 6.303 5.819 ( 8.864 0.000 -5.150) 10.251 6.103 ( -4.488 0.000 -2.611) 5.192 6.155 ( -2.262 0.000 -4.632) 5.155 6.337 ( -7.771 0.000 -8.374) 11.424 6.382 ( -3.366 0.000 4.364) 5.511 6.662 ( 1.739 0.000 -8.192) 8.374 6.876 ( -1.586 0.000 -0.340) 1.622 6.976 ( 3.016 0.000 8.985) 9.478 7.191 ( -0.990 0.000 6.644) 6.717 7.372 ( 5.256 0.000 -2.307) 5.740 7.664 ( 16.021 0.000 6.016) 17.114 7.932 ( 20.647 0.000 -4.376) 21.106 8.131 ( -0.857 0.000 -6.464) 6.520 8.181 ( -1.725 0.000 -9.562) 9.716 8.770 ( -6.073 0.000 -6.045) 8.569 8.844 ( 5.753 0.000 2.173) 6.150 9.053 ( 0.909 0.000 -3.905) 4.009 9.071 ( -4.196 0.000 7.376) 8.486 9.317 ( -19.690 0.000 7.247) 20.981 9.650 ( -6.787 0.000 -5.933) 9.015 9.930 ( -12.171 0.000 1.191) 12.229 10.096 ( -7.529 0.000 -6.306) 9.821 11.931 ( -3.205 0.000 0.756) 3.293 11.960 ( -2.911 0.000 0.875) 3.039 12.486 ( 1.648 0.000 0.929) 1.891 12.497 ( 3.892 0.000 -4.788) 6.170 12.749 ( -4.361 0.000 4.144) 6.016 12.899 ( -2.722 0.000 -3.916) 4.769 13.461 ( -1.994 0.000 9.988) 10.186 13.608 ( 1.882 0.000 -7.231) 7.471 15.619 ( 3.013 0.000 -3.018) 4.265 15.629 ( -0.045 0.000 1.710) 1.710 15.815 ( 2.710 0.000 0.438) 2.745 15.885 ( 0.997 0.000 -0.738) 1.240 16.179 ( 0.046 0.000 2.858) 2.858 16.330 ( 3.921 0.000 -2.537) 4.670 16.525 ( -0.776 0.000 -3.218) 3.310 16.693 ( -1.294 0.000 1.967) 2.354 16.816 ( 0.065 0.000 -2.091) 2.092 16.938 ( 2.416 0.000 7.443) 7.825 17.061 ( -4.655 0.000 1.913) 5.032 17.365 ( 1.116 0.000 -5.033) 5.155 22.004 ( -0.975 0.000 1.541) 1.823 22.076 ( 0.130 0.000 3.297) 3.300 22.265 ( 1.476 0.000 0.742) 1.652 22.363 ( -3.590 0.000 -2.858) 4.588 22.410 ( 2.497 0.000 -2.608) 3.611 22.574 ( -4.785 0.000 2.475) 5.387 22.640 ( -3.438 0.000 0.636) 3.496 22.642 ( 0.465 0.000 -0.266) 0.535 22.986 ( -1.196 0.000 3.637) 3.829 23.231 ( -0.961 0.000 -5.222) 5.310 23.632 ( 2.812 0.000 3.227) 4.281 23.647 ( 1.785 0.000 -2.467) 3.045 23.850 ( 1.399 0.000 8.416) 8.531 24.124 ( 0.456 0.000 -0.185) 0.493 24.451 ( -5.146 0.000 10.672) 11.847 24.900 ( 4.180 0.000 -22.762) 23.142 25.419 ( 1.837 0.000 9.162) 9.344 25.436 ( 4.770 0.000 2.228) 5.265 26.096 ( 0.533 0.000 1.845) 1.921 26.218 ( 2.019 0.000 -1.486) 2.507 27.174 ( 5.037 0.000 8.428) 9.818 27.212 ( 1.851 0.000 -4.704) 5.055 27.582 ( 12.698 0.000 -2.775) 12.998 27.767 ( 0.526 0.000 8.017) 8.035 27.999 ( 11.318 0.000 -4.502) 12.180 28.018 ( 12.773 0.000 -0.929) 12.807 28.534 ( -12.740 0.000 -4.904) 13.651 28.639 ( -2.907 0.000 -9.918) 10.335 28.959 ( -10.046 0.000 -10.417) 14.471 29.267 ( -3.501 0.000 0.640) 3.559 29.596 ( 2.361 0.000 2.716) 3.599 29.912 ( -2.959 0.000 -3.910) 4.903 30.001 ( -4.288 0.000 1.946) 4.708 30.241 ( 1.039 0.000 7.256) 7.330 30.271 ( 0.484 0.000 -1.192) 1.286 30.644 ( -0.695 0.000 -5.021) 5.069 31.025 ( 2.775 0.000 -8.053) 8.518 31.166 ( -3.131 0.000 12.901) 13.276 31.387 ( 0.113 0.000 -6.154) 6.156 31.605 ( -5.961 0.000 7.364) 9.474 32.819 ( -4.406 0.000 -7.295) 8.522 32.858 ( -12.271 0.000 2.468) 12.517 33.461 ( 2.080 0.000 14.395) 14.544 33.759 ( 2.956 0.000 -7.357) 7.929 34.633 ( -5.886 0.000 3.638) 6.919 34.836 ( -1.323 0.000 -6.204) 6.344 34.980 ( -1.005 0.000 11.550) 11.594 35.334 ( 1.819 0.000 -7.449) 7.668 36.616 ( 5.718 0.000 2.720) 6.332 36.725 ( 6.092 0.000 -0.649) 6.127 37.789 ( 3.743 0.000 4.126) 5.571 38.061 ( -4.116 0.000 -0.451) 4.141 38.069 ( 1.322 0.000 -1.563) 2.047 38.201 ( 2.058 0.000 1.429) 2.505 38.269 ( -3.743 0.000 -4.965) 6.218 38.496 ( 2.466 0.000 -3.777) 4.511 38.880 ( -0.739 0.000 -1.430) 1.609 39.061 ( -7.713 0.000 6.010) 9.778 39.478 ( 2.813 0.000 -1.379) 3.133 39.568 ( -0.589 0.000 -0.381) 0.701 49.270 ( -1.221 0.000 2.754) 3.012 49.299 ( 0.491 0.000 -2.863) 2.905 49.443 ( 0.760 0.000 2.363) 2.482 49.544 ( 0.401 0.000 -0.583) 0.708 86.487 ( 0.590 0.000 -0.465) 0.751 86.563 ( -0.285 0.000 -2.027) 2.047 87.309 ( 15.938 0.000 16.481) 22.927 87.858 ( 26.461 0.000 -16.449) 31.157 89.386 ( -2.765 0.000 -0.378) 2.791 89.552 ( -0.843 0.000 -1.982) 2.154 89.613 ( -2.261 0.000 1.834) 2.912 89.684 ( -1.292 0.000 -2.531) 2.842 90.657 ( -12.491 0.000 -0.423) 12.498 90.734 ( -2.790 0.000 -14.431) 14.699 91.161 ( 5.626 0.000 6.082) 8.285 91.376 ( 4.192 0.000 -4.432) 6.101 92.032 ( -5.785 0.000 -1.740) 6.041 92.205 ( -5.411 0.000 -4.600) 7.102 92.936 ( -1.104 0.000 18.344) 18.377 93.320 ( 2.021 0.000 -4.802) 5.210 95.428 ( -1.883 0.000 6.104) 6.388 95.606 ( 2.460 0.000 -7.959) 8.330 96.260 ( -3.786 0.000 2.669) 4.633 96.346 ( -3.918 0.000 1.624) 4.241 96.639 ( -3.498 0.000 -3.027) 4.626 96.730 ( -5.253 0.000 2.591) 5.857 97.088 ( 3.484 0.000 -0.311) 3.498 97.200 ( 4.115 0.000 -0.770) 4.186 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 13.163 0.000 3.126) 13.529 2.801 ( 5.528 0.000 8.962) 10.530 2.808 ( -17.386 0.000 7.026) 18.752 3.158 ( 9.533 0.000 -13.525) 16.547 3.312 ( 5.646 0.000 13.585) 14.712 3.837 ( -4.916 0.000 -4.457) 6.636 4.157 ( -4.367 0.000 25.718) 26.086 4.168 ( 0.943 0.000 -3.400) 3.528 4.462 ( -4.365 0.000 2.459) 5.010 4.520 ( 0.536 0.000 -0.823) 0.982 4.644 ( 2.788 0.000 5.934) 6.556 4.818 ( -3.384 0.000 -5.108) 6.127 4.874 ( -3.978 0.000 5.627) 6.892 5.047 ( -4.071 0.000 13.202) 13.816 5.118 ( 12.263 0.000 -9.223) 15.344 5.463 ( 10.263 0.000 -6.574) 12.188 5.476 ( -8.389 0.000 -6.844) 10.827 5.584 ( 0.515 0.000 -1.621) 1.701 5.637 ( 2.914 0.000 -7.140) 7.712 5.765 ( -2.623 0.000 15.623) 15.841 5.898 ( -2.772 0.000 -9.327) 9.730 5.976 ( -2.574 0.000 -0.234) 2.584 6.143 ( 4.700 0.000 -6.995) 8.427 6.173 ( -7.469 0.000 -4.522) 8.731 6.402 ( 2.516 0.000 4.019) 4.741 6.623 ( 1.041 0.000 -10.378) 10.430 6.929 ( 6.700 0.000 -3.112) 7.388 6.959 ( -5.666 0.000 3.819) 6.833 7.312 ( 4.719 0.000 13.518) 14.317 7.473 ( 6.269 0.000 -2.239) 6.657 8.012 ( 16.490 0.000 4.163) 17.008 8.039 ( -4.366 0.000 -5.691) 7.173 8.084 ( -2.927 0.000 -5.994) 6.670 8.341 ( 24.082 0.000 -5.120) 24.621 8.534 ( -14.093 0.000 -9.393) 16.937 8.704 ( -21.466 0.000 0.259) 21.468 9.090 ( -8.450 0.000 9.208) 12.497 9.098 ( 4.836 0.000 -2.459) 5.425 9.134 ( 8.168 0.000 7.363) 10.997 9.460 ( -10.484 0.000 -4.922) 11.582 9.793 ( -2.498 0.000 1.470) 2.898 9.938 ( -5.593 0.000 -7.092) 9.032 11.906 ( 0.129 0.000 0.368) 0.390 11.922 ( -1.725 0.000 0.703) 1.863 12.490 ( -1.649 0.000 1.845) 2.474 12.526 ( 1.397 0.000 -3.369) 3.647 12.720 ( -0.542 0.000 3.215) 3.261 12.833 ( -1.857 0.000 -4.510) 4.877 13.469 ( -1.910 0.000 8.931) 9.133 13.614 ( 2.289 0.000 -6.992) 7.357 15.622 ( -1.473 0.000 2.211) 2.657 15.660 ( 3.025 0.000 -3.982) 5.000 15.870 ( 2.514 0.000 0.122) 2.517 15.891 ( -0.256 0.000 -0.304) 0.397 16.203 ( 1.087 0.000 3.836) 3.987 16.345 ( -0.730 0.000 -4.561) 4.619 16.554 ( 5.113 0.000 -0.937) 5.198 16.639 ( -4.917 0.000 1.238) 5.071 16.829 ( 1.789 0.000 0.049) 1.789 16.930 ( -4.014 0.000 -2.052) 4.508 17.082 ( 3.041 0.000 10.021) 10.472 17.335 ( -1.296 0.000 -6.831) 6.953 22.030 ( 2.941 0.000 1.876) 3.488 22.097 ( -0.953 0.000 3.820) 3.937 22.249 ( -2.393 0.000 -4.379) 4.990 22.259 ( -2.990 0.000 0.545) 3.039 22.507 ( 4.994 0.000 0.727) 5.047 22.524 ( -0.540 0.000 1.932) 2.006 22.575 ( -3.417 0.000 0.774) 3.504 22.622 ( -2.200 0.000 -2.215) 3.122 23.007 ( 0.732 0.000 5.558) 5.606 23.176 ( -1.875 0.000 -5.976) 6.264 23.669 ( -0.523 0.000 2.072) 2.137 23.679 ( 2.810 0.000 -2.296) 3.629 23.929 ( 1.964 0.000 10.149) 10.337 24.090 ( -3.535 0.000 -0.517) 3.573 24.438 ( -1.544 0.000 11.077) 11.184 24.859 ( 3.475 0.000 -24.331) 24.578 25.493 ( 1.647 0.000 7.826) 7.998 25.527 ( 2.930 0.000 3.110) 4.273 26.109 ( -0.394 0.000 4.106) 4.125 26.219 ( -1.039 0.000 -1.957) 2.215 27.245 ( 2.038 0.000 0.054) 2.039 27.321 ( 7.058 0.000 -2.114) 7.368 27.810 ( 3.321 0.000 3.721) 4.988 27.851 ( 14.869 0.000 -0.624) 14.882 27.892 ( -5.237 0.000 -4.452) 6.873 28.223 ( -13.570 0.000 -6.926) 15.235 28.545 ( 21.601 0.000 13.047) 25.235 28.567 ( -0.094 0.000 -7.657) 7.657 28.713 ( -8.942 0.000 -10.586) 13.857 29.126 ( -11.629 0.000 -2.490) 11.893 29.669 ( 3.350 0.000 1.645) 3.733 29.797 ( -6.093 0.000 -4.789) 7.750 29.984 ( 2.156 0.000 4.180) 4.703 30.188 ( -7.949 0.000 -1.843) 8.160 30.333 ( 2.812 0.000 8.903) 9.337 30.571 ( -1.617 0.000 -8.525) 8.677 31.134 ( 8.514 0.000 -1.125) 8.588 31.136 ( -5.360 0.000 9.226) 10.670 31.423 ( 6.574 0.000 -6.481) 9.232 31.497 ( -7.540 0.000 3.772) 8.431 32.680 ( -7.513 0.000 3.011) 8.094 32.733 ( -1.130 0.000 -6.591) 6.687 33.548 ( 0.063 0.000 12.954) 12.954 33.773 ( 2.396 0.000 -8.079) 8.427 34.588 ( -1.685 0.000 6.545) 6.758 34.771 ( -1.976 0.000 -7.221) 7.487 35.031 ( 0.125 0.000 12.717) 12.718 35.313 ( 0.329 0.000 -9.457) 9.463 36.717 ( 3.134 0.000 3.275) 4.533 36.801 ( 2.311 0.000 -1.645) 2.837 37.901 ( 4.846 0.000 5.233) 7.133 37.996 ( -1.358 0.000 -0.554) 1.466 38.042 ( -1.093 0.000 -3.945) 4.094 38.126 ( -6.621 0.000 -4.111) 7.793 38.305 ( 3.022 0.000 7.070) 7.689 38.494 ( -0.865 0.000 -5.060) 5.134 38.924 ( 6.636 0.000 -4.831) 8.208 38.937 ( -7.668 0.000 5.342) 9.346 39.526 ( 2.681 0.000 -1.403) 3.026 39.543 ( -2.152 0.000 0.667) 2.253 49.259 ( -1.210 0.000 2.495) 2.773 49.300 ( 1.055 0.000 -2.802) 2.994 49.476 ( 1.521 0.000 2.123) 2.611 49.536 ( -0.799 0.000 -0.995) 1.276 86.506 ( 1.354 0.000 -0.370) 1.404 86.546 ( -0.625 0.000 -2.101) 2.193 87.643 ( 7.686 0.000 23.511) 24.735 88.183 ( 17.200 0.000 -23.512) 29.132 89.354 ( 0.183 0.000 -0.136) 0.228 89.474 ( -6.037 0.000 -4.139) 7.320 89.593 ( -0.628 0.000 1.925) 2.025 89.650 ( -0.807 0.000 -2.984) 3.091 90.459 ( -8.914 0.000 4.960) 10.201 90.641 ( 0.149 0.000 -13.975) 13.976 91.261 ( 1.721 0.000 6.423) 6.649 91.402 ( 0.787 0.000 -4.147) 4.221 91.960 ( -1.057 0.000 0.196) 1.075 92.079 ( -4.291 0.000 -6.522) 7.807 93.027 ( 0.935 0.000 18.051) 18.075 93.326 ( 1.390 0.000 -5.807) 5.971 95.428 ( -1.269 0.000 6.453) 6.577 95.608 ( 2.116 0.000 -9.532) 9.764 96.211 ( -2.679 0.000 2.641) 3.762 96.276 ( -3.241 0.000 -0.550) 3.287 96.598 ( -0.699 0.000 1.489) 1.645 96.670 ( -2.047 0.000 1.105) 2.326 97.140 ( 1.283 0.000 2.755) 3.039 97.247 ( 2.088 0.000 -3.696) 4.245 ======================= Grid point 194 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -31.618 0.000 8.873) 32.840 2.571 ( -12.357 0.000 28.788) 31.328 3.024 ( 12.755 0.000 -8.574) 15.369 3.188 ( 0.751 0.000 -10.675) 10.701 3.414 ( -3.919 0.000 20.919) 21.283 3.667 ( -8.485 0.000 -11.705) 14.457 4.222 ( 4.321 0.000 6.839) 8.090 4.231 ( 5.608 0.000 5.428) 7.805 4.442 ( 0.095 0.000 6.212) 6.212 4.524 ( 0.717 0.000 -0.061) 0.719 4.718 ( 1.371 0.000 2.492) 2.844 4.797 ( 3.940 0.000 -10.013) 10.760 4.915 ( -13.306 0.000 9.536) 16.370 5.004 ( 11.474 0.000 14.792) 18.720 5.275 ( 8.474 0.000 -7.583) 11.372 5.302 ( -2.428 0.000 -18.823) 18.979 5.515 ( -1.760 0.000 -0.178) 1.769 5.600 ( -3.585 0.000 -8.297) 9.039 5.698 ( -0.823 0.000 12.996) 13.022 5.701 ( -8.384 0.000 -7.721) 11.398 5.815 ( 6.998 0.000 11.154) 13.167 5.994 ( 0.197 0.000 -6.362) 6.365 6.018 ( -5.667 0.000 3.457) 6.638 6.221 ( 6.033 0.000 -7.857) 9.906 6.505 ( 7.060 0.000 -0.277) 7.065 6.612 ( 3.474 0.000 -15.725) 16.104 6.860 ( -5.744 0.000 3.907) 6.947 7.047 ( 7.211 0.000 -4.335) 8.413 7.386 ( -2.948 0.000 7.768) 8.308 7.529 ( 0.215 0.000 -7.904) 7.907 7.941 ( -4.638 0.000 2.546) 5.291 7.983 ( -2.142 0.000 -0.886) 2.318 8.174 ( -18.838 0.000 10.568) 21.600 8.209 ( -14.726 0.000 -10.169) 17.896 8.447 ( 8.925 0.000 0.176) 8.926 8.725 ( 16.273 0.000 -1.444) 16.337 9.013 ( -4.293 0.000 6.310) 7.632 9.217 ( 9.719 0.000 -4.434) 10.683 9.278 ( -3.841 0.000 -7.313) 8.261 9.349 ( 10.209 0.000 6.714) 12.218 9.831 ( 4.561 0.000 3.927) 6.019 9.858 ( 1.268 0.000 -5.437) 5.583 11.908 ( 0.219 0.000 0.235) 0.321 11.930 ( 2.093 0.000 -0.126) 2.097 12.454 ( -3.343 0.000 3.522) 4.856 12.524 ( -0.334 0.000 -1.360) 1.400 12.753 ( 2.172 0.000 3.343) 3.987 12.803 ( 1.200 0.000 -4.842) 4.988 13.474 ( -1.788 0.000 7.677) 7.883 13.625 ( 2.503 0.000 -7.440) 7.849 15.600 ( -2.001 0.000 2.134) 2.925 15.686 ( 1.784 0.000 -4.265) 4.623 15.868 ( -2.158 0.000 -0.121) 2.161 15.896 ( 0.379 0.000 -0.461) 0.596 16.254 ( 1.907 0.000 4.637) 5.014 16.297 ( -1.180 0.000 -5.555) 5.679 16.539 ( -5.947 0.000 0.737) 5.992 16.661 ( 5.835 0.000 -1.053) 5.929 16.849 ( -3.417 0.000 -1.795) 3.860 16.883 ( 3.545 0.000 2.513) 4.345 17.183 ( 2.521 0.000 9.065) 9.409 17.261 ( -2.711 0.000 -8.371) 8.799 22.058 ( -2.576 0.000 -0.367) 2.602 22.126 ( 6.142 0.000 1.824) 6.407 22.181 ( -4.816 0.000 1.363) 5.005 22.250 ( 1.057 0.000 1.336) 1.704 22.528 ( -4.314 0.000 -0.658) 4.364 22.534 ( -0.069 0.000 1.467) 1.469 22.578 ( 2.300 0.000 -0.241) 2.313 22.597 ( 3.872 0.000 -0.343) 3.887 23.058 ( 1.840 0.000 6.138) 6.408 23.116 ( -1.663 0.000 -5.651) 5.890 23.640 ( -2.885 0.000 1.746) 3.372 23.713 ( 1.422 0.000 -2.450) 2.833 24.002 ( 0.183 0.000 11.623) 11.624 24.006 ( -4.944 0.000 -0.567) 4.977 24.489 ( 1.115 0.000 10.444) 10.503 24.815 ( 4.407 0.000 -24.634) 25.025 25.530 ( -1.194 0.000 3.284) 3.494 25.559 ( -0.349 0.000 0.733) 0.812 26.125 ( -0.564 0.000 6.216) 6.242 26.173 ( -2.786 0.000 -0.606) 2.851 27.269 ( 0.425 0.000 0.659) 0.784 27.297 ( -8.238 0.000 -4.983) 9.628 27.857 ( 0.779 0.000 1.177) 1.411 27.880 ( 3.534 0.000 -1.145) 3.715 27.926 ( -11.226 0.000 -8.922) 14.339 28.133 ( 12.773 0.000 1.861) 12.907 28.523 ( -5.289 0.000 -4.726) 7.093 28.599 ( 6.922 0.000 -0.705) 6.958 28.811 ( -18.682 0.000 -11.722) 22.055 28.987 ( 16.181 0.000 11.347) 19.763 29.680 ( -4.655 0.000 -0.401) 4.672 29.730 ( 2.895 0.000 2.753) 3.995 30.045 ( -4.909 0.000 -2.188) 5.375 30.123 ( 9.229 0.000 5.783) 10.891 30.375 ( -3.141 0.000 9.826) 10.316 30.490 ( -3.733 0.000 -7.169) 8.082 31.068 ( -5.343 0.000 4.203) 6.798 31.283 ( 8.529 0.000 -3.216) 9.115 31.390 ( -4.859 0.000 0.878) 4.937 31.547 ( 9.375 0.000 -5.270) 10.754 32.624 ( -0.789 0.000 4.579) 4.647 32.740 ( 5.099 0.000 -3.542) 6.208 33.583 ( -2.277 0.000 11.588) 11.809 33.763 ( 0.542 0.000 -9.141) 9.157 34.623 ( 1.462 0.000 7.997) 8.129 34.713 ( -0.415 0.000 -6.389) 6.403 35.095 ( 0.387 0.000 12.553) 12.559 35.263 ( -0.431 0.000 -11.045) 11.054 36.745 ( -2.004 0.000 3.479) 4.015 36.786 ( -2.729 0.000 -3.143) 4.162 37.938 ( -1.003 0.000 5.743) 5.830 37.948 ( -7.530 0.000 -0.079) 7.530 38.067 ( 3.062 0.000 -7.418) 8.025 38.077 ( 6.672 0.000 2.275) 7.049 38.375 ( 1.025 0.000 7.681) 7.749 38.404 ( -6.531 0.000 -3.854) 7.583 38.862 ( -1.687 0.000 1.360) 2.167 39.050 ( 9.045 0.000 -6.012) 10.860 39.498 ( -2.979 0.000 1.255) 3.232 39.557 ( 1.226 0.000 -0.751) 1.438 49.250 ( -0.920 0.000 2.365) 2.537 49.311 ( 1.495 0.000 -2.873) 3.239 49.510 ( -1.245 0.000 -1.497) 1.948 49.512 ( 1.352 0.000 1.548) 2.055 86.520 ( -1.083 0.000 -1.859) 2.152 86.527 ( 0.915 0.000 -0.053) 0.917 87.740 ( -9.038 0.000 21.984) 23.769 88.180 ( -5.413 0.000 -32.938) 33.380 89.356 ( -3.069 0.000 -0.521) 3.113 89.406 ( 4.310 0.000 2.473) 4.969 89.607 ( 1.034 0.000 2.128) 2.366 89.632 ( 0.385 0.000 -2.430) 2.460 90.400 ( -1.855 0.000 11.120) 11.273 90.626 ( 5.027 0.000 -11.458) 12.513 91.282 ( -2.684 0.000 8.036) 8.472 91.365 ( -2.561 0.000 -4.108) 4.841 92.003 ( 5.037 0.000 1.361) 5.218 92.013 ( 0.335 0.000 -5.489) 5.499 93.115 ( -0.051 0.000 15.141) 15.141 93.315 ( 1.442 0.000 -10.586) 10.684 95.440 ( -0.852 0.000 6.993) 7.045 95.596 ( 1.741 0.000 -10.373) 10.518 96.196 ( -0.821 0.000 5.679) 5.738 96.241 ( -0.453 0.000 0.518) 0.688 96.622 ( 1.955 0.000 3.362) 3.889 96.665 ( 1.582 0.000 -2.026) 2.570 97.160 ( -0.867 0.000 4.404) 4.489 97.240 ( -0.485 0.000 -5.876) 5.896 ======================= Grid point 195 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -35.494 0.000 16.548) 39.162 2.458 ( -14.249 0.000 34.291) 37.134 2.955 ( -15.721 0.000 -12.034) 19.798 3.139 ( -0.624 0.000 -6.757) 6.786 3.398 ( -8.588 0.000 25.622) 27.023 3.600 ( 8.651 0.000 -12.419) 15.135 4.343 ( 6.596 0.000 -5.346) 8.491 4.389 ( 6.265 0.000 7.925) 10.102 4.487 ( 2.590 0.000 1.244) 2.873 4.538 ( 0.321 0.000 2.608) 2.628 4.679 ( -9.297 0.000 0.765) 9.328 4.743 ( -3.717 0.000 9.863) 10.541 4.844 ( 0.249 0.000 -9.950) 9.953 5.119 ( -6.605 0.000 -5.303) 8.471 5.245 ( 5.061 0.000 -12.703) 13.674 5.414 ( 8.263 0.000 -0.094) 8.264 5.469 ( -3.504 0.000 3.427) 4.901 5.571 ( 1.289 0.000 -1.854) 2.258 5.594 ( 7.486 0.000 -0.131) 7.487 5.651 ( -7.635 0.000 11.053) 13.434 5.860 ( -5.641 0.000 -5.891) 8.156 6.021 ( 6.695 0.000 6.458) 9.302 6.080 ( 5.028 0.000 2.090) 5.445 6.279 ( 4.425 0.000 -5.783) 7.282 6.576 ( -0.048 0.000 -0.901) 0.902 6.594 ( 3.084 0.000 -15.738) 16.038 6.861 ( 4.640 0.000 1.461) 4.864 7.131 ( 3.851 0.000 -6.790) 7.806 7.314 ( -5.600 0.000 3.477) 6.592 7.386 ( -7.881 0.000 -12.885) 15.104 7.800 ( -12.069 0.000 -4.637) 12.929 7.827 ( -18.538 0.000 6.770) 19.735 8.003 ( 1.352 0.000 6.878) 7.010 8.031 ( -1.136 0.000 3.772) 3.940 8.653 ( 7.413 0.000 4.949) 8.913 8.839 ( -2.721 0.000 2.235) 3.521 8.985 ( -1.647 0.000 3.686) 4.037 9.214 ( 2.414 0.000 -7.830) 8.194 9.478 ( 17.362 0.000 -8.738) 19.437 9.536 ( 7.061 0.000 5.857) 9.174 9.964 ( 11.521 0.000 -2.557) 11.801 9.979 ( 8.561 0.000 5.842) 10.364 11.941 ( 3.568 0.000 -0.226) 3.575 11.974 ( 2.763 0.000 -0.495) 2.807 12.406 ( -3.821 0.000 4.445) 5.861 12.497 ( -2.316 0.000 -0.288) 2.334 12.817 ( 2.466 0.000 4.409) 5.052 12.835 ( 4.460 0.000 -4.583) 6.395 13.472 ( -2.217 0.000 6.925) 7.272 13.635 ( 2.383 0.000 -8.135) 8.477 15.573 ( -1.703 0.000 1.601) 2.337 15.679 ( -0.852 0.000 -3.198) 3.309 15.821 ( -2.096 0.000 -0.770) 2.233 15.886 ( -1.018 0.000 -0.529) 1.147 16.261 ( 0.121 0.000 -5.535) 5.537 16.284 ( -1.724 0.000 2.658) 3.168 16.462 ( -2.036 0.000 2.911) 3.552 16.729 ( 2.006 0.000 -1.924) 2.780 16.797 ( -1.612 0.000 -0.038) 1.613 16.973 ( 3.877 0.000 2.247) 4.481 17.178 ( -0.967 0.000 -8.536) 8.591 17.249 ( 0.448 0.000 7.135) 7.149 22.038 ( 1.105 0.000 -1.570) 1.920 22.107 ( -2.539 0.000 0.139) 2.543 22.250 ( -2.117 0.000 2.607) 3.358 22.274 ( 7.317 0.000 4.668) 8.679 22.415 ( -6.242 0.000 -1.725) 6.476 22.581 ( 3.455 0.000 1.675) 3.839 22.633 ( 2.253 0.000 1.216) 2.560 22.658 ( 3.714 0.000 -2.162) 4.297 23.065 ( -1.048 0.000 -4.352) 4.476 23.125 ( 2.232 0.000 5.549) 5.981 23.603 ( -1.750 0.000 2.091) 2.727 23.695 ( -1.865 0.000 -3.322) 3.810 23.920 ( -3.544 0.000 -0.688) 3.610 24.036 ( -2.479 0.000 11.557) 11.820 24.556 ( 0.768 0.000 9.637) 9.668 24.803 ( 6.562 0.000 -23.412) 24.314 25.460 ( -6.902 0.000 -0.582) 6.926 25.528 ( -2.439 0.000 -1.795) 3.028 26.129 ( -1.893 0.000 1.043) 2.162 26.136 ( -1.614 0.000 5.557) 5.787 27.091 ( -11.328 0.000 5.743) 12.700 27.277 ( 1.516 0.000 -3.582) 3.890 27.649 ( -11.434 0.000 -7.044) 13.430 27.822 ( -5.535 0.000 2.933) 6.264 27.998 ( 8.032 0.000 -15.753) 17.683 28.223 ( -14.704 0.000 -7.319) 16.424 28.454 ( 0.337 0.000 -0.777) 0.847 28.493 ( 2.497 0.000 4.318) 4.988 28.830 ( 14.217 0.000 2.691) 14.470 29.211 ( 3.490 0.000 7.012) 7.833 29.625 ( -1.775 0.000 -0.060) 1.776 29.824 ( 5.178 0.000 4.980) 7.184 30.015 ( 2.238 0.000 0.230) 2.250 30.247 ( -2.585 0.000 1.301) 2.894 30.378 ( -4.101 0.000 -6.651) 7.814 30.410 ( 5.074 0.000 15.874) 16.665 30.967 ( -6.626 0.000 -0.421) 6.639 31.343 ( -0.153 0.000 0.915) 0.928 31.402 ( 7.221 0.000 -10.342) 12.614 31.696 ( 8.092 0.000 -3.242) 8.717 32.677 ( 3.361 0.000 6.852) 7.632 32.883 ( 10.503 0.000 -0.373) 10.510 33.583 ( -3.204 0.000 10.909) 11.370 33.704 ( -1.790 0.000 -10.471) 10.623 34.699 ( 2.348 0.000 7.809) 8.155 34.709 ( 2.840 0.000 -4.079) 4.970 35.152 ( -0.533 0.000 11.008) 11.021 35.200 ( -0.595 0.000 -11.079) 11.095 36.680 ( -6.474 0.000 3.657) 7.436 36.685 ( -5.862 0.000 -3.964) 7.076 37.829 ( -4.772 0.000 -0.348) 4.785 37.973 ( 1.508 0.000 7.515) 7.665 38.118 ( 5.462 0.000 -6.280) 8.323 38.132 ( -7.179 0.000 6.537) 9.709 38.299 ( 2.071 0.000 -5.803) 6.162 38.417 ( 0.225 0.000 4.941) 4.946 38.884 ( 3.680 0.000 -1.517) 3.980 39.171 ( 6.035 0.000 -4.897) 7.772 39.457 ( -1.479 0.000 0.572) 1.586 39.562 ( -0.542 0.000 0.233) 0.590 49.248 ( -0.490 0.000 2.416) 2.465 49.326 ( 1.520 0.000 -3.059) 3.416 49.482 ( -0.772 0.000 -1.769) 1.930 49.532 ( 0.018 0.000 0.676) 0.677 86.498 ( -0.242 0.000 -1.502) 1.521 86.540 ( 0.631 0.000 0.373) 0.733 87.551 ( -19.462 0.000 15.714) 25.014 87.719 ( -25.107 0.000 -28.216) 37.769 89.371 ( 3.009 0.000 1.327) 3.288 89.491 ( 2.429 0.000 3.385) 4.167 89.644 ( 1.591 0.000 2.172) 2.692 89.647 ( 2.316 0.000 -1.897) 2.993 90.473 ( 3.190 0.000 13.105) 13.488 90.726 ( 10.335 0.000 -6.991) 12.478 91.252 ( -4.602 0.000 8.467) 9.637 91.279 ( -4.203 0.000 -5.619) 7.017 92.033 ( 3.393 0.000 -2.162) 4.023 92.133 ( 7.246 0.000 2.463) 7.653 93.156 ( -2.486 0.000 11.904) 12.161 93.282 ( 2.058 0.000 -16.586) 16.714 95.457 ( -1.062 0.000 7.032) 7.112 95.581 ( 1.739 0.000 -9.606) 9.762 96.236 ( 1.008 0.000 10.013) 10.064 96.262 ( 1.891 0.000 2.219) 2.916 96.698 ( 4.348 0.000 4.155) 6.014 96.700 ( 3.839 0.000 -5.754) 6.917 97.157 ( -1.373 0.000 3.849) 4.086 97.176 ( -3.001 0.000 -7.413) 7.998 ======================= Grid point 196 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -15.714 0.000 29.511) 33.434 2.391 ( -11.379 0.000 33.633) 35.506 2.523 ( -19.290 0.000 -15.301) 24.621 3.104 ( 2.328 0.000 -16.850) 17.010 3.363 ( -10.494 0.000 36.484) 37.963 3.724 ( 8.833 0.000 -11.106) 14.190 4.367 ( -0.974 0.000 -4.024) 4.141 4.395 ( -7.626 0.000 10.429) 12.920 4.550 ( 2.001 0.000 -10.018) 10.216 4.606 ( -1.578 0.000 5.739) 5.952 4.625 ( -8.505 0.000 11.727) 14.487 4.659 ( 9.358 0.000 1.967) 9.562 4.751 ( 0.127 0.000 -22.381) 22.382 4.963 ( -5.910 0.000 -2.458) 6.400 5.309 ( 2.442 0.000 1.402) 2.816 5.438 ( -0.523 0.000 -1.411) 1.505 5.458 ( 0.428 0.000 -2.038) 2.082 5.569 ( -0.867 0.000 -2.337) 2.492 5.571 ( -3.688 0.000 6.032) 7.070 5.761 ( -0.439 0.000 -8.472) 8.484 5.935 ( 20.376 0.000 0.792) 20.392 6.091 ( -0.594 0.000 5.317) 5.350 6.171 ( 3.114 0.000 -0.580) 3.168 6.322 ( -0.927 0.000 2.673) 2.829 6.574 ( 2.301 0.000 -1.599) 2.803 6.635 ( 9.553 0.000 -10.360) 14.092 6.915 ( -2.080 0.000 -0.432) 2.124 7.035 ( -8.993 0.000 -12.201) 15.157 7.266 ( -0.249 0.000 3.428) 3.437 7.292 ( 2.366 0.000 -2.589) 3.507 7.567 ( -12.735 0.000 3.336) 13.165 7.587 ( -6.397 0.000 -8.884) 10.947 8.070 ( 2.755 0.000 5.801) 6.422 8.086 ( 2.697 0.000 7.955) 8.399 8.731 ( -1.447 0.000 4.147) 4.392 8.752 ( -4.932 0.000 -0.710) 4.983 8.992 ( 0.849 0.000 5.472) 5.537 9.227 ( 1.735 0.000 -6.675) 6.897 9.675 ( 5.317 0.000 3.516) 6.374 9.707 ( 10.837 0.000 -7.308) 13.071 10.163 ( 7.311 0.000 4.937) 8.822 10.178 ( 10.580 0.000 -1.319) 10.662 12.027 ( 5.387 0.000 -0.864) 5.456 12.029 ( 3.328 0.000 -0.173) 3.333 12.357 ( -3.391 0.000 3.949) 5.205 12.434 ( -4.191 0.000 -0.261) 4.200 12.871 ( 0.620 0.000 5.025) 5.063 12.907 ( 4.992 0.000 -4.171) 6.505 13.457 ( -2.975 0.000 7.890) 8.432 13.635 ( 1.941 0.000 -8.760) 8.972 15.557 ( -0.523 0.000 0.903) 1.043 15.629 ( -2.821 0.000 -1.540) 3.214 15.804 ( 0.839 0.000 -1.447) 1.673 15.858 ( -1.815 0.000 -0.200) 1.826 16.225 ( -4.104 0.000 1.172) 4.268 16.246 ( 0.823 0.000 -5.348) 5.411 16.492 ( 2.101 0.000 5.211) 5.619 16.716 ( -2.085 0.000 -2.392) 3.174 16.793 ( 0.606 0.000 1.910) 2.004 16.986 ( -1.689 0.000 -4.164) 4.493 17.192 ( 4.876 0.000 -3.480) 5.990 17.262 ( -2.139 0.000 5.019) 5.455 22.081 ( 4.285 0.000 -2.050) 4.751 22.090 ( 0.183 0.000 1.084) 1.100 22.206 ( -3.690 0.000 2.274) 4.335 22.289 ( -6.051 0.000 -0.763) 6.099 22.430 ( 6.205 0.000 4.744) 7.810 22.636 ( 1.945 0.000 -1.110) 2.239 22.662 ( 0.042 0.000 2.040) 2.040 22.710 ( 2.544 0.000 -3.283) 4.154 23.064 ( 3.254 0.000 -1.734) 3.687 23.174 ( 0.077 0.000 3.551) 3.552 23.590 ( -1.221 0.000 1.874) 2.237 23.633 ( -2.277 0.000 -3.568) 4.232 23.888 ( 0.801 0.000 -0.767) 1.109 24.003 ( -6.618 0.000 8.582) 10.838 24.594 ( -1.760 0.000 9.356) 9.520 24.836 ( 8.174 0.000 -21.748) 23.233 25.322 ( -6.514 0.000 2.421) 6.949 25.461 ( -3.534 0.000 -3.101) 4.701 26.110 ( -3.314 0.000 3.548) 4.855 26.113 ( -0.329 0.000 0.434) 0.544 26.995 ( -3.896 0.000 14.528) 15.042 27.293 ( 3.011 0.000 -8.070) 8.614 27.442 ( -7.589 0.000 -5.319) 9.268 27.720 ( -8.110 0.000 7.974) 11.374 27.772 ( -19.544 0.000 -10.683) 22.273 28.033 ( 5.834 0.000 -20.657) 21.465 28.621 ( 7.790 0.000 4.366) 8.930 28.651 ( 11.571 0.000 5.639) 12.872 29.064 ( 8.404 0.000 2.058) 8.653 29.216 ( -4.614 0.000 5.172) 6.931 29.616 ( 2.066 0.000 -0.299) 2.088 29.907 ( 0.032 0.000 0.736) 0.736 30.102 ( 5.524 0.000 0.665) 5.564 30.166 ( -4.998 0.000 4.670) 6.840 30.322 ( 1.527 0.000 -3.105) 3.460 30.535 ( -2.107 0.000 7.354) 7.650 30.887 ( 0.011 0.000 5.924) 5.924 31.398 ( 4.525 0.000 3.691) 5.839 31.432 ( 2.548 0.000 -16.656) 16.850 31.764 ( 0.415 0.000 -6.048) 6.062 32.808 ( 6.780 0.000 8.660) 10.998 33.062 ( 6.840 0.000 0.416) 6.853 33.560 ( -5.199 0.000 10.338) 11.571 33.627 ( 0.074 0.000 -10.651) 10.651 34.767 ( 1.220 0.000 6.501) 6.615 34.776 ( 5.114 0.000 -1.281) 5.272 35.160 ( 2.232 0.000 -9.292) 9.557 35.161 ( -3.893 0.000 8.340) 9.204 36.565 ( -7.123 0.000 3.915) 8.128 36.567 ( -4.173 0.000 -3.249) 5.289 37.783 ( 0.048 0.000 0.190) 0.196 37.958 ( -11.636 0.000 6.536) 13.346 38.055 ( 3.125 0.000 6.428) 7.147 38.196 ( 5.909 0.000 -6.331) 8.660 38.357 ( 4.277 0.000 -4.640) 6.310 38.420 ( -1.641 0.000 0.995) 1.919 38.971 ( 6.056 0.000 -0.794) 6.108 39.197 ( -1.680 0.000 -2.327) 2.870 39.470 ( 3.150 0.000 -1.862) 3.659 39.539 ( -2.294 0.000 1.129) 2.556 49.255 ( -0.075 0.000 2.572) 2.573 49.333 ( 0.736 0.000 -3.199) 3.282 49.473 ( 0.765 0.000 -1.718) 1.881 49.514 ( -2.278 0.000 0.506) 2.334 86.506 ( 2.006 0.000 -1.175) 2.325 86.562 ( 1.441 0.000 0.532) 1.536 87.180 ( -18.617 0.000 -11.900) 22.095 87.234 ( -19.739 0.000 9.428) 21.875 89.437 ( 3.280 0.000 0.754) 3.366 89.517 ( -0.728 0.000 1.927) 2.060 89.673 ( 0.316 0.000 2.114) 2.137 89.688 ( 2.777 0.000 -2.139) 3.505 90.621 ( 6.099 0.000 12.268) 13.701 90.913 ( 11.631 0.000 -3.940) 12.280 91.168 ( -4.004 0.000 -8.028) 8.971 91.192 ( -5.873 0.000 6.462) 8.732 92.107 ( 4.487 0.000 2.028) 4.924 92.254 ( 3.740 0.000 1.946) 4.216 93.130 ( -5.864 0.000 9.628) 11.274 93.251 ( 3.964 0.000 -18.985) 19.394 95.463 ( -1.785 0.000 6.610) 6.847 95.574 ( 2.059 0.000 -8.106) 8.363 96.308 ( 0.481 0.000 12.204) 12.214 96.319 ( 2.382 0.000 3.713) 4.411 96.745 ( 4.143 0.000 -6.432) 7.651 96.812 ( 5.514 0.000 4.241) 6.956 97.069 ( -4.412 0.000 -8.048) 9.178 97.143 ( -1.302 0.000 -0.693) 1.475 ======================= Grid point 197 (98/125) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 15.782 11.999 27.857) 34.192 2.179 ( -9.745 8.785 -22.333) 25.902 2.593 ( -2.884 13.066 30.096) 32.936 3.138 ( 2.981 6.538 -22.855) 23.958 3.451 ( -9.592 9.563 32.127) 34.866 3.811 ( 6.094 -1.870 -5.486) 8.410 4.239 ( -8.220 -1.182 7.400) 11.123 4.330 ( 0.151 -1.916 9.445) 9.638 4.436 ( 2.003 -4.626 -6.502) 8.228 4.515 ( -3.126 -2.718 -4.829) 6.362 4.616 ( -5.289 1.752 5.985) 8.177 4.778 ( 0.055 3.938 -1.500) 4.215 4.792 ( 7.027 -3.184 -3.114) 8.319 4.903 ( 0.182 0.967 -8.532) 8.589 5.265 ( 1.146 -11.864 5.689) 13.208 5.304 ( 0.208 -6.753 -0.925) 6.820 5.348 ( -3.891 -3.776 -1.628) 5.661 5.483 ( 5.777 -1.864 -8.967) 10.829 5.658 ( 2.074 -4.377 0.012) 4.843 5.686 ( -4.303 4.099 -2.140) 6.316 6.153 ( -1.373 3.393 1.858) 4.105 6.169 ( 0.414 -1.798 -0.251) 1.861 6.268 ( -6.015 -0.095 -2.184) 6.400 6.299 ( 11.341 1.920 -2.734) 11.823 6.620 ( -2.720 -1.295 8.631) 9.141 6.775 ( -5.957 -0.266 -2.789) 6.583 6.796 ( 1.356 -1.039 -4.098) 4.440 6.876 ( 5.216 5.377 -13.418) 15.367 7.174 ( 3.682 -12.834 7.587) 15.357 7.308 ( 2.226 -8.036 -6.171) 10.374 7.380 ( -3.221 2.476 7.935) 8.915 7.516 ( -4.361 5.343 -5.457) 8.794 8.185 ( 1.613 2.084 2.878) 3.902 8.213 ( 4.287 3.885 0.041) 5.786 8.474 ( 5.987 -13.574 4.328) 15.454 8.551 ( -8.740 -11.892 -3.527) 15.174 9.220 ( 0.637 9.466 3.557) 10.132 9.298 ( 0.318 4.649 -4.478) 6.463 9.788 ( -4.086 7.576 4.526) 9.725 9.906 ( 4.719 7.206 -7.902) 11.689 10.254 ( 3.012 1.734 2.429) 4.240 10.300 ( -0.850 1.868 -2.233) 3.033 12.076 ( -4.495 0.779 0.695) 4.615 12.090 ( 3.658 0.437 -0.649) 3.740 12.391 ( 0.931 4.386 1.818) 4.838 12.419 ( 0.332 3.765 -1.078) 3.930 12.878 ( -2.225 0.294 4.076) 4.653 12.945 ( 1.781 -1.479 -2.900) 3.711 13.450 ( -1.567 0.671 9.637) 9.787 13.630 ( 0.844 0.305 -9.027) 9.072 15.554 ( 0.560 -1.140 0.746) 1.473 15.575 ( -0.340 -0.914 -1.237) 1.575 15.811 ( -1.122 -0.752 -0.053) 1.351 15.823 ( 1.187 -0.760 -1.350) 1.951 16.172 ( -1.201 -0.469 2.889) 3.164 16.252 ( 1.281 0.953 -5.399) 5.630 16.545 ( 3.504 -2.156 5.189) 6.622 16.629 ( -4.128 -1.955 -3.500) 5.754 16.798 ( 0.196 -3.109 3.755) 4.879 16.881 ( -0.866 -3.248 -4.312) 5.468 17.222 ( -3.622 0.417 3.273) 4.899 17.282 ( 4.426 0.683 -2.804) 5.283 22.027 ( -1.876 -4.798 4.137) 6.607 22.097 ( 2.261 -3.558 -3.075) 5.218 22.209 ( -3.894 2.469 1.542) 4.862 22.234 ( 2.118 1.556 -1.117) 2.855 22.507 ( 4.358 -3.299 4.933) 7.363 22.589 ( -2.611 -1.984 -2.663) 4.225 22.684 ( -1.653 -0.301 1.575) 2.303 22.727 ( 0.086 2.429 -1.884) 3.075 23.115 ( -3.988 -2.581 0.955) 4.846 23.130 ( 5.461 -2.576 -0.583) 6.066 23.560 ( -1.352 -0.526 1.816) 2.324 23.605 ( 0.214 -0.113 -2.603) 2.614 23.901 ( -6.543 0.984 6.991) 9.626 23.964 ( 4.723 1.334 -0.180) 4.911 24.570 ( -4.553 -0.386 8.781) 9.899 24.865 ( 7.270 -2.153 -19.985) 21.375 25.261 ( -1.268 -2.656 7.277) 7.850 25.380 ( -1.352 -0.500 -4.521) 4.745 26.030 ( -1.410 -3.635 4.349) 5.841 26.122 ( 1.700 -0.494 -3.087) 3.559 27.050 ( 0.225 0.363 16.813) 16.818 27.309 ( 1.593 -0.506 -5.107) 5.373 27.351 ( -1.675 -0.773 -0.768) 1.998 27.423 ( -3.622 0.209 -12.505) 13.020 27.750 ( -0.911 5.485 13.086) 14.219 28.077 ( 3.256 2.578 -19.498) 19.935 28.558 ( 10.259 -15.066 0.636) 18.238 28.609 ( -4.493 -14.312 -3.509) 15.406 29.112 ( -1.984 -7.225 10.689) 13.053 29.295 ( 4.995 2.185 -8.069) 9.738 29.736 ( -1.177 1.590 0.919) 2.181 29.760 ( -0.194 6.055 -0.980) 6.137 30.103 ( -2.311 -0.884 8.684) 9.029 30.247 ( 1.549 2.407 -6.364) 6.978 30.446 ( -5.503 3.089 5.537) 8.395 30.507 ( 5.233 4.891 -1.456) 7.309 31.012 ( 1.489 2.891 11.230) 11.691 31.273 ( 0.166 -3.172 -13.355) 13.727 31.672 ( 4.351 11.629 1.815) 12.549 31.748 ( -8.326 8.239 -4.546) 12.565 33.051 ( 6.234 5.801 7.951) 11.650 33.153 ( -1.948 6.406 -2.530) 7.157 33.431 ( -8.606 -2.759 12.529) 15.448 33.683 ( 4.778 2.242 -13.576) 14.566 34.777 ( -0.610 -1.757 6.396) 6.661 34.861 ( 0.671 1.183 -2.225) 2.607 35.065 ( -7.793 -1.186 7.070) 10.589 35.215 ( 7.356 -0.123 -8.251) 11.055 36.547 ( -3.000 5.894 5.088) 8.345 36.632 ( 2.401 9.480 -4.193) 10.641 37.796 ( -7.510 -1.033 6.703) 10.119 37.850 ( 5.125 1.325 0.745) 5.346 38.132 ( 1.588 0.407 3.872) 4.204 38.242 ( 2.619 -1.602 -7.655) 8.247 38.332 ( -0.107 -2.738 2.109) 3.458 38.417 ( 0.377 0.652 -7.166) 7.206 39.036 ( 3.697 -3.856 2.949) 6.102 39.090 ( -5.210 -1.841 -2.827) 6.206 39.494 ( -2.826 0.318 1.494) 3.213 39.534 ( 2.959 0.608 -2.650) 4.019 49.242 ( 0.072 -2.241 2.389) 3.277 49.289 ( -0.308 -2.863 -2.451) 3.782 49.490 ( -1.991 2.050 1.196) 3.098 49.513 ( 1.423 1.734 -1.102) 2.499 86.560 ( -2.102 1.008 0.342) 2.356 86.577 ( 2.357 1.789 -1.402) 3.274 86.966 ( -9.339 -1.347 4.713) 10.547 87.052 ( 10.707 -1.895 -4.259) 11.678 89.468 ( -0.786 -1.992 0.943) 2.340 89.480 ( 1.146 -1.669 -0.093) 2.027 89.677 ( -1.282 0.233 2.182) 2.541 89.716 ( 1.586 -0.244 -2.064) 2.615 90.688 ( 3.509 -9.825 9.811) 14.321 90.850 ( -3.156 -10.150 -5.444) 11.943 91.013 ( 1.873 -6.678 7.664) 10.336 91.233 ( 1.553 3.128 -12.266) 12.754 92.193 ( 4.576 -0.020 8.298) 9.476 92.341 ( -2.885 6.380 -6.269) 9.398 92.992 ( -8.982 -3.873 7.682) 12.438 93.172 ( 5.882 -7.237 -11.357) 14.695 95.484 ( -3.309 3.060 7.884) 9.081 95.628 ( 2.753 4.508 -7.213) 8.940 96.291 ( -2.389 -4.616 6.418) 8.259 96.333 ( 2.551 -2.923 3.063) 4.943 96.791 ( -0.190 -0.347 1.975) 2.015 96.865 ( -0.880 2.198 -4.139) 4.769 97.083 ( -0.393 10.340 14.211) 17.579 97.420 ( 1.164 22.659 -21.445) 31.220 ======================= Grid point 198 (99/125) ======================= q-point: ( 0.14 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 8.947 9.403 -26.683) 29.672 2.208 ( 25.599 7.005 19.746) 33.080 2.705 ( -0.040 12.540 27.426) 30.157 3.111 ( 6.331 5.133 -24.931) 26.230 3.415 ( -9.490 8.633 25.581) 28.618 3.853 ( -2.234 -5.781 2.428) 6.656 4.192 ( -0.798 5.118 11.365) 12.489 4.371 ( -5.560 6.140 17.068) 18.972 4.434 ( 0.021 -0.049 -8.548) 8.548 4.474 ( 5.852 -7.372 -3.942) 10.204 4.578 ( 1.291 -4.971 1.293) 5.297 4.761 ( -4.092 -2.624 -5.137) 7.073 4.828 ( 1.196 2.026 -7.721) 8.072 4.924 ( 5.976 1.278 2.517) 6.609 5.227 ( -6.556 -4.762 -2.912) 8.611 5.310 ( 3.504 -12.779 1.649) 13.353 5.429 ( 6.903 -6.025 0.741) 9.192 5.513 ( -3.512 0.987 0.125) 3.650 5.572 ( 3.046 -3.270 -8.418) 9.531 5.763 ( 5.023 3.259 3.129) 6.756 6.000 ( -11.818 5.114 -2.139) 13.054 6.153 ( -4.698 -4.695 -4.170) 7.843 6.166 ( -1.071 -0.163 2.006) 2.279 6.490 ( 6.567 -1.611 -5.669) 8.824 6.553 ( -7.101 4.408 6.019) 10.299 6.683 ( -2.412 4.249 -3.681) 6.117 6.790 ( 2.650 -3.287 1.215) 4.393 6.937 ( 2.212 1.441 -4.156) 4.923 7.224 ( -2.561 -5.007 -2.758) 6.264 7.263 ( 2.253 -6.773 -2.581) 7.590 7.465 ( 5.377 5.521 8.777) 11.680 7.572 ( 11.886 -2.223 -0.963) 12.130 8.187 ( 0.295 1.128 -1.725) 2.082 8.219 ( -3.375 -1.847 -7.664) 8.575 8.483 ( 3.754 -11.274 -1.137) 11.937 8.653 ( 8.518 -11.745 6.743) 15.999 9.168 ( -7.178 2.515 -2.469) 7.997 9.220 ( -6.739 4.861 0.447) 8.321 9.659 ( -11.312 8.855 4.078) 14.933 9.866 ( -6.623 2.887 -6.191) 9.515 10.199 ( -5.279 7.182 -1.900) 9.113 10.300 ( -0.686 5.780 -2.385) 6.290 11.915 ( -7.685 -2.827 0.909) 8.239 12.188 ( 1.019 9.302 0.422) 9.367 12.391 ( 1.962 -1.674 -0.219) 2.588 12.479 ( 4.071 3.798 -1.620) 5.799 12.840 ( -3.469 1.583 3.855) 5.422 12.943 ( -0.702 -1.100 -2.730) 3.026 13.455 ( -2.538 0.562 8.872) 9.245 13.608 ( 1.070 -0.463 -7.321) 7.413 15.569 ( 1.581 -1.195 -0.695) 2.100 15.604 ( 2.638 -0.286 0.003) 2.653 15.777 ( -1.083 -1.294 -0.144) 1.694 15.853 ( 1.657 -0.955 -0.890) 2.109 16.174 ( -0.291 0.356 2.778) 2.816 16.274 ( 3.540 0.469 -3.944) 5.320 16.541 ( -3.196 -3.233 -2.793) 5.336 16.635 ( 2.781 -1.973 4.276) 5.469 16.803 ( -1.706 -5.115 2.566) 5.972 16.866 ( 1.518 -0.350 -1.259) 2.004 17.150 ( -4.982 0.573 2.088) 5.432 17.347 ( 3.594 0.614 -3.499) 5.053 21.984 ( -3.519 -3.904 2.654) 5.888 22.104 ( -0.713 -1.101 -1.664) 2.119 22.189 ( 1.812 -0.603 2.167) 2.888 22.317 ( 5.564 2.016 0.273) 5.924 22.470 ( -6.780 -4.181 -4.393) 9.096 22.560 ( -1.777 -4.491 2.913) 5.640 22.693 ( 1.499 5.004 1.820) 5.532 22.715 ( -1.041 1.049 0.426) 1.538 23.022 ( -4.812 -1.730 0.439) 5.133 23.212 ( 2.820 -2.417 -2.861) 4.688 23.566 ( 1.316 -0.075 3.662) 3.892 23.612 ( 1.301 -1.387 -1.850) 2.653 23.840 ( -3.012 1.483 6.670) 7.467 24.066 ( 4.826 0.021 0.489) 4.851 24.512 ( -5.838 0.087 9.134) 10.841 24.887 ( 5.284 -2.430 -20.045) 20.871 25.292 ( 0.327 -4.579 7.720) 8.982 25.387 ( 3.613 1.270 -1.107) 3.986 26.039 ( 0.303 -3.290 2.924) 4.412 26.156 ( 3.351 -1.285 -3.418) 4.956 27.105 ( -1.104 1.499 12.352) 12.491 27.263 ( -1.448 1.023 -8.376) 8.562 27.396 ( 8.577 -0.851 0.008) 8.619 27.518 ( 11.557 -2.494 1.438) 11.910 27.828 ( 3.774 8.160 10.644) 13.933 28.055 ( 3.378 -0.171 -18.473) 18.780 28.473 ( -6.439 -14.193 -8.145) 17.585 28.718 ( 6.931 -11.921 -3.795) 14.302 29.061 ( -5.992 -3.232 6.882) 9.681 29.286 ( -3.433 -3.609 -10.370) 11.504 29.716 ( -2.265 7.985 2.307) 8.614 29.775 ( 2.506 -1.277 -0.349) 2.834 30.078 ( -3.177 0.457 6.853) 7.567 30.269 ( 2.861 1.216 -4.238) 5.256 30.349 ( -6.635 2.890 3.492) 8.036 30.616 ( 6.310 4.963 -0.442) 8.040 31.034 ( -5.446 -2.856 6.061) 8.634 31.206 ( 1.421 2.049 -10.296) 10.594 31.562 ( -9.110 8.609 -0.687) 12.553 31.764 ( 2.047 11.986 6.389) 13.736 33.022 ( -8.418 4.518 -5.124) 10.841 33.104 ( -4.870 7.323 0.420) 8.805 33.391 ( -1.075 0.248 16.714) 16.751 33.718 ( 4.432 -0.122 -10.652) 11.538 34.748 ( -5.883 0.311 4.530) 7.432 34.845 ( -0.801 -1.761 -1.045) 2.199 34.984 ( -3.072 0.244 6.186) 6.911 35.314 ( 6.049 0.631 -7.073) 9.328 36.553 ( 1.778 4.739 4.073) 6.496 36.700 ( 5.728 8.305 -2.662) 10.434 37.738 ( -1.723 -0.855 5.613) 5.933 37.984 ( 7.592 1.719 3.090) 8.374 38.131 ( -2.648 0.320 1.047) 2.866 38.198 ( -2.334 -3.275 -8.258) 9.185 38.325 ( -0.955 -0.575 -2.392) 2.639 38.443 ( 4.119 -0.751 -2.908) 5.098 38.949 ( -6.563 -1.351 -1.070) 6.786 39.100 ( -0.862 -2.976 3.983) 5.046 39.454 ( -1.307 -0.125 0.633) 1.458 39.561 ( 0.864 -0.346 -1.772) 2.002 49.250 ( -0.608 -2.329 2.569) 3.520 49.273 ( -0.211 -2.831 -2.213) 3.599 49.468 ( -0.706 2.764 1.444) 3.198 49.541 ( 1.584 1.303 -0.562) 2.127 86.508 ( -1.844 1.062 -0.029) 2.128 86.597 ( -0.391 1.659 -1.561) 2.312 86.987 ( 8.711 -1.418 7.050) 11.296 87.381 ( 25.118 -3.756 -9.309) 27.050 89.423 ( -2.939 -1.765 0.096) 3.429 89.519 ( 1.695 -2.081 -0.303) 2.701 89.651 ( -2.407 0.019 1.796) 3.003 89.717 ( -0.326 0.287 -2.361) 2.400 90.641 ( -8.150 -12.952 0.407) 15.308 90.907 ( 6.723 -6.261 -2.923) 9.641 90.972 ( -5.861 -3.177 2.852) 7.251 91.264 ( 5.415 -2.306 -7.830) 9.796 92.208 ( -5.166 4.516 -4.988) 8.483 92.309 ( 1.321 3.630 2.178) 4.434 92.860 ( -8.193 -5.920 11.442) 15.267 93.243 ( 5.265 -4.665 -6.217) 9.388 95.460 ( -3.174 2.456 8.159) 9.092 95.649 ( 2.917 4.891 -6.831) 8.894 96.263 ( -2.922 -4.107 3.630) 6.211 96.380 ( 1.251 -1.785 0.903) 2.359 96.728 ( -5.633 1.007 2.489) 6.240 96.841 ( -2.215 2.335 -2.233) 3.917 97.127 ( -1.213 9.792 10.418) 14.349 97.365 ( 3.018 19.507 -14.446) 24.460 ======================= Grid point 199 (100/125) ======================= q-point: ( 0.29 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 23.042 7.110 -20.841) 31.872 2.685 ( 12.758 1.948 15.835) 20.428 2.844 ( 5.164 8.222 16.700) 19.318 3.127 ( 5.408 4.351 -18.132) 19.415 3.337 ( -8.185 9.181 15.585) 19.854 3.795 ( -5.566 -7.956 11.000) 14.672 4.229 ( 0.213 9.128 0.278) 9.134 4.331 ( -4.761 10.935 16.550) 20.399 4.447 ( 2.939 -4.888 -1.344) 5.859 4.533 ( -3.298 -10.238 -3.813) 11.412 4.588 ( -2.898 -0.497 -5.243) 6.011 4.719 ( 7.590 -4.570 6.933) 11.250 4.886 ( 5.895 0.506 -4.123) 7.211 5.038 ( 0.470 1.179 1.110) 1.686 5.073 ( -3.947 1.756 2.603) 5.044 5.368 ( 2.328 -6.967 -1.543) 7.506 5.471 ( -0.437 -3.457 1.749) 3.899 5.521 ( 3.669 -6.056 -2.264) 7.434 5.630 ( 2.392 -0.824 -2.714) 3.710 5.792 ( -5.698 2.881 -2.206) 6.755 5.879 ( 4.988 4.556 -1.210) 6.863 6.010 ( -7.606 -8.182 -6.693) 13.023 6.160 ( -0.879 2.725 2.782) 3.992 6.393 ( -6.920 2.390 -4.047) 8.365 6.495 ( -4.170 7.865 0.074) 8.902 6.681 ( 1.908 1.782 -6.656) 7.150 6.851 ( 2.486 -2.043 1.775) 3.675 6.994 ( 4.169 0.345 7.444) 8.539 7.145 ( -3.392 -2.508 -0.785) 4.290 7.335 ( 6.444 -3.677 -2.552) 7.846 7.682 ( 13.626 1.288 5.938) 14.919 7.851 ( 17.449 -6.890 -1.602) 18.828 8.094 ( -4.098 -4.317 -6.562) 8.859 8.211 ( 3.431 0.434 -5.112) 6.172 8.567 ( 4.070 -8.648 -4.856) 10.721 8.790 ( -1.391 -11.742 6.462) 13.474 8.934 ( -11.967 -7.595 -1.665) 14.272 9.121 ( -3.188 4.040 0.213) 5.151 9.427 ( -16.223 10.315 4.613) 19.771 9.626 ( -14.315 -4.651 -5.446) 16.007 10.097 ( -5.175 15.239 -0.428) 16.099 10.238 ( -3.300 11.935 -5.713) 13.637 11.834 ( -1.363 -2.842 1.261) 3.395 12.139 ( -5.291 10.610 -0.460) 11.865 12.445 ( 2.466 -3.194 1.594) 4.338 12.540 ( 3.767 4.111 -3.574) 6.623 12.797 ( -2.938 3.912 3.170) 5.830 12.899 ( -2.294 0.071 -3.306) 4.024 13.450 ( -1.942 -1.167 7.640) 7.969 13.597 ( 0.851 -1.068 -5.587) 5.751 15.604 ( 2.275 -0.927 -1.175) 2.723 15.638 ( 0.669 0.311 0.173) 0.758 15.791 ( 2.730 -2.219 -0.217) 3.525 15.873 ( 0.776 -1.194 -0.513) 1.514 16.185 ( 0.183 0.634 2.893) 2.968 16.334 ( 3.791 0.255 -2.488) 4.542 16.487 ( -0.902 -3.514 -2.547) 4.433 16.663 ( -1.755 -2.522 2.290) 3.832 16.779 ( -0.867 -4.517 0.918) 4.690 16.919 ( 2.813 -1.692 1.335) 3.544 17.077 ( -3.336 1.794 3.154) 4.929 17.371 ( 1.011 0.560 -5.029) 5.160 21.945 ( -1.666 -4.106 2.534) 5.104 22.096 ( 0.652 -0.531 -0.600) 1.033 22.245 ( 2.042 -0.926 2.572) 3.412 22.311 ( -6.757 -3.917 -4.620) 9.074 22.429 ( 5.665 2.064 0.649) 6.064 22.515 ( -3.443 -4.382 2.128) 5.965 22.673 ( -3.095 1.227 0.714) 3.405 22.724 ( -0.170 7.055 0.101) 7.058 22.973 ( -1.210 -1.445 2.978) 3.525 23.207 ( -0.745 -2.010 -5.112) 5.544 23.625 ( 1.937 -0.796 1.839) 2.787 23.636 ( 2.551 -0.905 -0.274) 2.721 23.854 ( 0.683 0.201 7.903) 7.935 24.113 ( -0.122 -1.037 0.477) 1.148 24.457 ( -4.552 0.721 9.801) 10.831 24.878 ( 4.150 -2.033 -21.054) 21.555 25.349 ( 1.457 -5.556 9.811) 11.369 25.478 ( 5.405 2.318 1.042) 5.972 26.055 ( -0.086 -3.825 2.068) 4.349 26.196 ( 2.409 -2.039 -4.303) 5.336 27.166 ( 4.276 -0.949 4.383) 6.196 27.250 ( 1.891 3.689 -1.319) 4.350 27.596 ( 12.623 1.273 0.264) 12.689 27.710 ( 5.346 -4.317 3.994) 7.948 27.969 ( 0.677 -4.380 -11.295) 12.133 28.082 ( 13.258 5.702 8.104) 16.551 28.321 ( -4.627 -10.058 -9.491) 14.582 28.745 ( -0.282 0.209 -8.415) 8.422 28.987 ( -7.528 0.263 0.382) 7.542 29.120 ( -6.257 -8.992 -4.547) 11.861 29.654 ( -4.188 1.324 1.173) 4.546 29.817 ( 0.696 -1.779 -1.498) 2.428 30.058 ( -1.935 2.131 2.782) 4.003 30.244 ( -4.829 -0.090 0.529) 4.859 30.313 ( 1.816 0.870 2.215) 2.994 30.659 ( -2.359 4.467 -6.572) 8.289 30.992 ( 2.778 -1.161 7.468) 8.052 31.231 ( 4.201 3.273 -5.390) 7.577 31.422 ( -6.684 6.752 2.882) 9.928 31.776 ( -4.178 13.443 5.195) 15.006 32.827 ( -9.435 1.548 -2.703) 9.936 32.970 ( -7.014 9.621 -3.630) 12.447 33.482 ( 1.272 0.924 14.614) 14.698 33.740 ( 3.319 -1.243 -9.693) 10.321 34.649 ( -6.102 1.513 6.192) 8.824 34.823 ( -0.716 -0.879 -3.580) 3.755 34.998 ( 0.315 1.397 8.246) 8.369 35.355 ( 2.151 1.813 -7.449) 7.962 36.640 ( 5.102 2.839 3.366) 6.740 36.790 ( 4.615 5.879 -1.860) 7.702 37.782 ( 3.482 -0.802 4.994) 6.141 38.051 ( -4.042 -0.409 0.776) 4.136 38.083 ( -1.663 -0.211 -3.832) 4.183 38.186 ( 5.854 -1.141 2.108) 6.326 38.259 ( -4.708 -0.334 -3.969) 6.167 38.499 ( 3.076 0.307 -3.827) 4.920 38.868 ( -0.813 -1.137 -1.767) 2.254 39.044 ( -6.840 -1.679 5.181) 8.743 39.462 ( 1.777 -1.678 -0.481) 2.490 39.552 ( -0.967 -1.427 -0.796) 1.899 49.244 ( -1.212 -2.392 2.592) 3.729 49.264 ( 0.453 -2.810 -2.279) 3.646 49.478 ( 0.788 2.826 1.524) 3.306 49.558 ( 0.447 1.267 -0.472) 1.423 86.498 ( 0.567 1.044 -0.207) 1.206 86.580 ( -0.276 1.663 -1.982) 2.602 87.278 ( 15.163 -2.990 14.836) 21.423 87.799 ( 25.076 -5.943 -15.575) 30.111 89.370 ( -2.547 -1.471 -0.308) 2.957 89.524 ( -1.020 -2.499 -1.998) 3.358 89.613 ( -2.286 -0.238 1.292) 2.636 89.687 ( -1.508 0.286 -2.493) 2.928 90.481 ( -9.374 -11.499 2.791) 15.096 90.794 ( -5.898 0.649 -13.439) 14.691 91.071 ( 5.798 -8.382 6.239) 11.949 91.315 ( 3.365 -5.534 -5.961) 8.803 92.095 ( -3.852 5.786 -4.850) 8.476 92.258 ( -6.231 4.559 -2.915) 8.252 92.857 ( 0.230 -6.151 17.479) 18.531 93.290 ( 2.461 -2.992 -4.513) 5.948 95.447 ( -2.438 2.422 8.848) 9.492 95.667 ( 2.465 5.163 -7.327) 9.296 96.227 ( -2.127 -2.879 1.556) 3.903 96.376 ( -1.701 1.193 -1.682) 2.673 96.649 ( -3.970 1.986 2.709) 5.200 96.751 ( -5.031 2.198 -1.525) 5.698 97.161 ( 0.242 7.992 8.429) 11.618 97.380 ( 3.551 15.395 -8.687) 18.030 ======================= Grid point 200 (101/125) ======================= q-point: ( 0.43 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 14.602 5.282 -1.474) 15.598 2.797 ( -5.551 1.884 6.052) 8.425 2.875 ( -7.910 3.842 10.208) 13.474 3.184 ( 7.821 2.423 -11.895) 14.441 3.351 ( 4.397 4.429 11.915) 13.450 3.776 ( -2.685 -3.432 4.338) 6.149 4.193 ( -1.941 1.517 1.575) 2.924 4.317 ( -7.130 10.297 12.336) 17.579 4.435 ( -0.154 -4.760 -5.805) 7.508 4.472 ( -0.875 -3.702 -2.778) 4.710 4.604 ( 2.547 0.838 9.207) 9.589 4.821 ( 2.369 0.761 -2.738) 3.700 4.909 ( -4.042 4.151 8.332) 10.149 5.055 ( 9.939 -4.386 -2.099) 11.065 5.123 ( -1.683 3.454 5.610) 6.799 5.424 ( -5.188 -1.411 -5.526) 7.711 5.442 ( 6.533 -2.695 -3.588) 7.926 5.543 ( 1.009 -4.497 3.800) 5.973 5.626 ( 0.801 -0.332 -3.671) 3.772 5.775 ( 0.488 1.305 2.603) 2.952 5.829 ( -6.416 -6.986 -9.144) 13.175 5.950 ( 2.328 -0.802 -5.457) 5.987 6.134 ( -3.731 4.143 4.777) 7.341 6.313 ( 1.484 5.300 -8.785) 10.366 6.445 ( -0.852 4.845 5.373) 7.285 6.665 ( 1.335 3.287 -9.683) 10.312 6.913 ( 2.390 -1.498 1.341) 3.123 6.999 ( -3.041 3.487 0.235) 4.633 7.214 ( 5.725 -7.982 8.087) 12.724 7.435 ( 4.105 -4.077 -3.808) 6.927 7.944 ( 5.113 -6.922 -2.230) 8.890 8.009 ( 8.390 -0.751 5.697) 10.169 8.170 ( 5.317 2.449 -1.579) 6.063 8.289 ( 11.810 -4.496 -4.424) 13.389 8.445 ( -16.536 -7.472 -3.004) 18.392 8.606 ( -7.685 -8.195 -6.636) 13.048 8.901 ( 1.729 -12.917 5.896) 14.304 9.133 ( -11.136 2.729 -0.950) 11.505 9.170 ( 4.803 2.709 1.835) 5.812 9.361 ( -11.758 -5.319 -3.355) 13.334 10.017 ( -4.105 17.137 4.725) 18.244 10.156 ( -1.361 17.124 -8.229) 19.048 11.872 ( 4.308 -0.066 1.582) 4.590 12.018 ( -6.777 5.577 -1.277) 8.870 12.489 ( 1.048 0.991 3.157) 3.471 12.574 ( 1.412 4.434 -3.787) 6.000 12.764 ( -1.956 3.812 2.895) 5.171 12.844 ( -1.160 1.213 -4.073) 4.406 13.455 ( -1.728 -1.414 8.013) 8.318 13.591 ( 1.759 -2.325 -6.442) 7.071 15.618 ( -1.081 -0.379 1.872) 2.195 15.654 ( 2.412 -0.466 -3.465) 4.248 15.850 ( 3.032 -1.942 -0.427) 3.626 15.873 ( -0.749 -1.728 -0.078) 1.885 16.212 ( 1.123 0.902 3.866) 4.126 16.345 ( -0.992 -0.017 -3.838) 3.965 16.516 ( 4.163 -3.664 -0.008) 5.546 16.605 ( -4.060 -3.316 -0.003) 5.242 16.791 ( 1.144 -3.810 2.352) 4.622 16.912 ( -2.492 -1.685 -3.510) 4.622 17.106 ( 2.813 2.172 8.064) 8.812 17.338 ( -1.513 0.354 -6.622) 6.802 21.955 ( 1.156 -5.085 3.540) 6.303 22.089 ( -2.014 -3.340 -2.802) 4.802 22.218 ( -1.523 -1.038 0.536) 1.920 22.255 ( -1.136 -1.503 -0.192) 1.893 22.498 ( 1.528 -0.530 2.938) 3.353 22.536 ( 4.633 0.923 0.440) 4.745 22.608 ( -3.999 2.589 1.720) 5.065 22.687 ( -2.992 5.956 -2.794) 7.227 22.994 ( 1.098 -1.257 4.888) 5.165 23.155 ( -1.843 -1.804 -5.767) 6.317 23.656 ( -0.025 -1.103 1.823) 2.131 23.673 ( 2.154 -0.695 -1.661) 2.807 23.924 ( 1.923 -0.613 9.713) 9.920 24.076 ( -3.691 -1.376 0.168) 3.943 24.448 ( -1.366 1.136 10.415) 10.566 24.846 ( 3.488 -1.233 -22.681) 22.981 25.428 ( 1.519 -5.236 11.107) 12.373 25.566 ( 3.400 2.399 -0.223) 4.167 26.054 ( -1.352 -5.017 3.867) 6.477 26.193 ( -0.047 -2.441 -5.556) 6.069 27.282 ( 1.113 3.592 1.297) 3.978 27.302 ( 7.380 -2.476 0.294) 7.789 27.744 ( -0.476 -5.577 -5.530) 7.868 27.787 ( 0.195 -5.085 1.533) 5.315 27.927 ( 9.091 1.382 -0.843) 9.234 28.149 ( -6.576 -2.375 -7.695) 10.397 28.518 ( 20.450 -2.280 10.308) 23.014 28.684 ( -3.324 7.532 -3.738) 9.042 28.774 ( -7.309 5.087 -9.483) 13.008 29.004 ( -9.714 -10.791 -0.918) 14.548 29.629 ( 1.650 -3.050 1.430) 3.751 29.769 ( -4.308 -1.965 -3.442) 5.854 30.041 ( 0.400 2.718 1.882) 3.330 30.145 ( -6.730 -4.395 -0.031) 8.038 30.359 ( 0.906 2.118 5.619) 6.073 30.553 ( -3.366 0.914 -6.628) 7.489 31.165 ( 7.132 6.905 9.660) 13.851 31.283 ( 1.986 8.855 -1.524) 9.202 31.374 ( 3.975 -1.084 -0.561) 4.159 31.655 ( -9.530 11.491 -1.046) 14.965 32.700 ( -3.565 3.496 2.577) 5.619 32.839 ( -4.268 8.527 -6.456) 11.515 33.547 ( -1.087 -0.296 12.392) 12.443 33.758 ( 3.482 -1.103 -9.465) 10.145 34.603 ( -2.651 1.357 8.502) 9.008 34.787 ( -0.467 1.521 -6.540) 6.731 35.056 ( 0.809 2.420 11.168) 11.455 35.334 ( 0.090 2.008 -9.219) 9.435 36.739 ( 2.951 2.156 3.674) 5.182 36.838 ( 1.657 3.547 -2.616) 4.708 37.891 ( 4.468 -0.977 5.521) 7.169 37.981 ( -2.571 -1.289 1.746) 3.365 38.038 ( -0.190 -1.199 -5.027) 5.172 38.129 ( -6.461 0.457 -4.538) 7.908 38.306 ( 3.466 0.588 7.422) 8.212 38.505 ( -0.361 1.190 -5.750) 5.883 38.891 ( -0.065 -2.427 1.988) 3.138 38.945 ( -1.007 -0.027 -1.617) 1.905 39.496 ( 1.475 -2.865 -0.097) 3.224 39.524 ( -1.348 -1.852 -0.500) 2.345 49.232 ( -1.255 -2.454 2.399) 3.653 49.268 ( 1.131 -2.736 -2.454) 3.845 49.504 ( 1.112 2.402 1.720) 3.157 49.553 ( -0.469 1.579 -0.987) 1.921 86.518 ( 1.382 1.220 -0.052) 1.844 86.563 ( -0.663 1.658 -2.090) 2.749 87.592 ( 7.510 -4.919 21.302) 23.117 88.100 ( 15.487 -8.295 -22.466) 28.520 89.342 ( 0.163 -1.191 -0.121) 1.208 89.448 ( -5.557 -2.347 -3.982) 7.228 89.591 ( -0.591 -0.336 1.654) 1.789 89.647 ( -1.470 -0.406 -2.432) 2.871 90.354 ( -6.715 -8.043 10.013) 14.493 90.648 ( -2.053 -0.581 -15.556) 15.702 91.170 ( 0.817 -8.478 7.479) 11.335 91.337 ( 2.990 -6.113 -7.994) 10.498 92.027 ( -3.530 5.874 1.786) 7.082 92.132 ( -2.291 4.844 -7.680) 9.365 92.976 ( 2.823 -4.245 17.089) 17.834 93.291 ( 0.422 -3.063 -6.309) 7.025 95.454 ( -1.486 3.087 9.755) 10.339 95.668 ( 1.683 5.072 -8.574) 10.103 96.207 ( -0.759 -1.349 1.866) 2.424 96.306 ( -4.166 2.396 -2.674) 5.499 96.612 ( -1.516 1.565 3.208) 3.878 96.691 ( -0.517 2.419 -1.415) 2.850 97.199 ( -1.087 6.638 9.578) 11.704 97.401 ( 3.355 13.698 -9.504) 17.007 ======================= Grid point 202 (102/125) ======================= q-point: (-0.43 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -30.765 3.405 9.073) 32.255 2.629 ( -11.869 5.512 26.098) 29.195 3.005 ( 9.598 -0.082 -7.964) 12.472 3.279 ( 9.180 6.072 -16.739) 20.033 3.482 ( -1.527 6.591 22.078) 23.091 3.655 ( -6.604 -0.899 -9.286) 11.430 4.247 ( -0.023 2.161 8.050) 8.335 4.268 ( 0.685 0.933 13.022) 13.074 4.389 ( -1.843 -9.588 -4.355) 10.690 4.449 ( 2.654 -1.979 -4.140) 5.301 4.678 ( -0.541 2.447 5.592) 6.128 4.831 ( 3.179 2.934 -7.039) 8.262 4.928 ( -7.212 0.254 8.471) 11.128 5.106 ( 4.416 6.462 6.276) 10.032 5.227 ( 7.608 -5.774 -3.667) 10.231 5.315 ( -1.680 2.181 -6.726) 7.268 5.485 ( -0.341 -1.922 -0.598) 2.042 5.556 ( -3.508 -3.539 -5.654) 7.536 5.629 ( -2.760 -4.959 -1.576) 5.890 5.716 ( 2.722 1.190 3.991) 4.975 5.805 ( 1.040 1.671 1.887) 2.727 5.901 ( -4.028 -5.802 -5.282) 8.820 6.139 ( 2.241 8.372 4.411) 9.725 6.319 ( 3.832 5.972 -11.053) 13.135 6.518 ( 5.098 1.311 2.794) 5.960 6.655 ( 3.314 3.422 -13.512) 14.327 6.872 ( -5.527 1.497 4.859) 7.510 7.032 ( 4.819 -2.098 -1.905) 5.590 7.289 ( -3.601 -7.811 4.589) 9.749 7.429 ( 0.805 -8.288 -7.381) 11.127 7.896 ( -14.519 -4.707 3.687) 15.702 8.052 ( 0.202 3.366 4.268) 5.440 8.149 ( -9.502 1.893 -0.442) 9.699 8.280 ( -17.164 -3.011 -5.042) 18.140 8.357 ( 10.147 -5.670 3.281) 12.077 8.582 ( 12.641 -8.798 -2.419) 15.590 8.994 ( 2.822 -9.058 -2.974) 9.943 9.136 ( 6.557 -5.257 -3.710) 9.187 9.152 ( 1.679 -3.464 5.067) 6.363 9.352 ( 11.106 2.554 -2.109) 11.589 9.996 ( -1.254 15.676 6.733) 17.107 10.134 ( 2.873 18.544 -5.904) 19.672 11.899 ( -4.474 0.490 -1.031) 4.617 11.991 ( 6.918 4.324 1.307) 8.262 12.497 ( -2.247 4.303 3.500) 5.984 12.555 ( -1.341 3.000 -3.091) 4.511 12.764 ( 0.607 1.814 3.489) 3.979 12.834 ( 1.923 2.465 -3.625) 4.787 13.451 ( -2.460 -2.186 7.041) 7.773 13.608 ( 3.355 -1.794 -6.892) 7.873 15.598 ( -1.841 -0.094 1.896) 2.644 15.679 ( 1.857 -0.690 -3.937) 4.407 15.840 ( -2.780 -2.552 0.166) 3.777 15.884 ( 0.965 -1.243 -0.893) 1.810 16.257 ( 1.056 0.350 4.266) 4.408 16.300 ( -0.789 0.401 -4.331) 4.421 16.494 ( -5.501 -4.180 1.799) 7.140 16.636 ( 6.165 -2.667 -2.618) 7.209 16.821 ( -1.285 -3.255 1.668) 3.877 16.860 ( 0.826 -1.694 -0.755) 2.030 17.198 ( 2.499 1.365 7.651) 8.164 17.262 ( -2.748 0.332 -7.678) 8.161 21.994 ( -0.477 -4.793 2.089) 5.250 22.049 ( 1.526 -5.988 -1.474) 6.353 22.171 ( -3.386 -1.330 3.556) 5.088 22.285 ( 3.051 0.973 -1.198) 3.419 22.525 ( -2.251 -0.723 1.282) 2.690 22.543 ( -2.252 1.466 0.133) 2.690 22.623 ( 2.484 1.946 0.579) 3.208 22.641 ( 2.214 6.164 -0.056) 6.550 23.048 ( 1.950 -0.825 5.173) 5.589 23.095 ( -1.582 -1.969 -5.438) 5.996 23.625 ( -3.227 -1.458 2.188) 4.162 23.711 ( 1.989 -0.156 -2.688) 3.347 23.990 ( -2.948 -1.003 4.687) 5.628 24.001 ( -1.370 -0.657 6.241) 6.423 24.494 ( 0.774 0.653 9.933) 9.984 24.806 ( 4.136 -0.725 -23.197) 23.574 25.482 ( -1.397 -3.851 8.144) 9.116 25.586 ( -0.205 1.296 -4.328) 4.522 26.046 ( -2.065 -6.688 6.510) 9.559 26.162 ( -0.411 -1.682 -3.954) 4.317 27.250 ( -6.699 -1.064 -0.282) 6.789 27.340 ( -2.739 2.825 -0.011) 3.935 27.748 ( 6.289 -11.165 0.534) 12.825 27.795 ( 1.455 -5.285 -4.487) 7.084 27.951 ( -10.820 2.185 -4.550) 11.940 28.118 ( 7.428 0.980 -2.891) 8.031 28.562 ( -5.818 3.840 3.251) 7.692 28.719 ( -15.917 -6.313 -7.441) 18.670 28.764 ( 7.920 10.241 -6.244) 14.373 28.912 ( 13.554 -6.814 8.370) 17.327 29.662 ( -4.056 -1.478 -2.216) 4.852 29.701 ( 3.725 -2.978 3.390) 5.851 30.039 ( -3.530 -3.106 1.927) 5.082 30.122 ( 6.266 0.117 2.504) 6.749 30.388 ( -1.070 3.891 8.322) 9.249 30.474 ( -2.849 -0.468 -4.912) 5.697 31.179 ( -3.933 8.500 3.544) 10.014 31.354 ( -1.411 6.209 -7.795) 10.065 31.465 ( 0.259 7.172 -0.787) 7.220 31.585 ( 12.057 4.041 1.534) 12.808 32.699 ( -0.224 7.306 4.122) 8.392 32.793 ( 3.648 4.853 -3.273) 6.897 33.560 ( -3.120 -1.397 10.826) 11.353 33.770 ( 2.469 -0.048 -10.387) 10.677 34.624 ( 0.086 0.019 9.384) 9.385 34.758 ( 1.104 4.043 -7.104) 8.248 35.117 ( -0.447 2.130 11.762) 11.961 35.285 ( -0.056 2.086 -10.590) 10.793 36.749 ( -3.887 1.053 3.846) 5.569 36.836 ( -0.208 4.184 -3.718) 5.601 37.914 ( -2.540 -1.794 5.745) 6.533 37.965 ( -5.334 1.016 0.517) 5.455 38.050 ( 3.867 -1.860 -4.714) 6.374 38.073 ( 4.581 -0.320 0.329) 4.604 38.375 ( -0.542 0.368 6.744) 6.776 38.427 ( -4.128 2.184 -4.138) 6.240 38.843 ( -1.957 -1.919 2.064) 3.431 39.039 ( 8.667 -1.105 -6.470) 10.872 39.480 ( -2.215 -1.822 1.137) 3.085 39.531 ( 1.272 -2.556 -0.829) 2.973 49.223 ( -0.910 -2.484 2.217) 3.451 49.281 ( 1.534 -2.669 -2.656) 4.066 49.518 ( -0.868 1.408 0.936) 1.900 49.546 ( 0.715 2.316 -0.845) 2.567 86.532 ( -0.850 1.273 -1.020) 1.839 86.544 ( 0.592 1.660 -0.617) 1.867 87.686 ( -8.273 -5.304 20.240) 22.500 88.078 ( -6.155 -9.936 -29.866) 32.071 89.343 ( -2.589 -1.199 -0.438) 2.886 89.388 ( 3.955 -1.644 2.082) 4.762 89.608 ( 1.255 0.010 2.104) 2.449 89.620 ( -0.137 -1.172 -1.529) 1.932 90.341 ( -1.373 -4.908 14.933) 15.779 90.594 ( 3.909 -2.800 -13.098) 13.952 91.163 ( -4.735 -9.547 7.049) 12.777 91.353 ( 2.318 -3.503 -8.069) 9.096 91.973 ( -2.634 1.591 4.181) 5.191 92.145 ( 6.160 7.941 -6.248) 11.834 93.090 ( 1.159 -2.620 13.829) 14.123 93.251 ( -0.351 -4.931 -10.409) 11.523 95.479 ( -1.018 4.033 10.117) 10.939 95.652 ( 1.238 4.821 -9.747) 10.945 96.212 ( -1.114 0.733 4.106) 4.317 96.237 ( -1.375 -0.603 0.716) 1.663 96.624 ( 1.140 0.235 3.402) 3.596 96.708 ( 3.360 4.087 -4.220) 6.768 97.202 ( -3.554 5.846 9.758) 11.918 97.419 ( 4.015 15.357 -11.214) 19.435 ======================= Grid point 203 (103/125) ======================= q-point: (-0.29 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -32.846 7.100 17.251) 37.774 2.535 ( -11.547 7.486 30.448) 33.414 2.948 ( -11.426 0.498 -12.047) 16.611 3.277 ( -1.102 11.260 -11.554) 16.171 3.505 ( -7.336 9.478 25.140) 27.851 3.622 ( 8.250 2.191 -9.846) 13.032 4.263 ( 3.579 -3.679 -6.940) 8.632 4.349 ( -2.053 -8.937 10.782) 14.154 4.430 ( 3.668 -8.983 5.089) 10.957 4.491 ( 3.396 -2.121 3.689) 5.444 4.650 ( -3.195 4.037 1.462) 5.352 4.800 ( -7.245 2.581 1.547) 7.845 4.860 ( 3.293 2.142 -10.628) 11.331 5.123 ( -5.172 0.582 -3.648) 6.355 5.218 ( -5.043 -2.399 -3.654) 6.674 5.325 ( 2.262 -8.249 2.330) 8.865 5.449 ( -2.236 -2.376 -1.883) 3.767 5.528 ( -0.080 -5.239 -4.557) 6.944 5.632 ( 7.965 4.574 -1.732) 9.347 5.756 ( -2.643 7.569 5.365) 9.647 5.794 ( -1.464 -1.917 3.238) 4.038 5.941 ( 10.471 -3.713 -0.557) 11.124 6.198 ( 1.474 8.228 0.297) 8.365 6.361 ( 5.202 3.748 -6.529) 9.151 6.582 ( -0.056 0.715 0.525) 0.889 6.651 ( 3.292 3.706 -12.399) 13.353 6.845 ( 1.064 0.135 1.954) 2.229 7.104 ( 2.099 -8.375 3.055) 9.158 7.171 ( -5.830 -5.068 -5.930) 9.739 7.351 ( -7.985 -4.571 -6.687) 11.374 7.677 ( -8.844 -6.046 7.295) 12.961 7.906 ( -16.067 1.216 -5.704) 17.093 8.010 ( -3.664 -1.618 0.503) 4.037 8.111 ( 0.012 6.397 5.506) 8.440 8.459 ( -0.438 -10.979 5.521) 12.297 8.858 ( 15.362 -0.688 -0.292) 15.380 8.934 ( -7.678 -11.766 -2.307) 14.238 9.138 ( 7.524 2.053 -1.807) 8.005 9.512 ( 16.863 -4.756 5.065) 18.238 9.562 ( 14.695 6.670 -7.466) 17.781 10.033 ( 2.372 12.857 5.121) 14.041 10.201 ( 5.444 13.492 -1.032) 14.585 11.858 ( 1.058 -2.533 -1.111) 2.962 12.124 ( 6.382 8.845 1.019) 10.955 12.437 ( -5.475 2.017 2.833) 6.486 12.512 ( -2.141 2.296 -1.159) 3.346 12.815 ( 2.660 1.499 3.538) 4.673 12.868 ( 3.015 1.821 -2.549) 4.348 13.437 ( -2.179 -3.109 6.100) 7.185 13.638 ( 3.170 0.082 -7.111) 7.786 15.572 ( -1.752 -0.064 1.333) 2.202 15.675 ( -0.996 -0.419 -2.773) 2.976 15.789 ( -1.850 -2.904 -0.496) 3.479 15.881 ( -0.694 -0.677 -1.032) 1.416 16.244 ( -1.732 -1.464 -1.567) 2.757 16.301 ( -0.594 1.500 -0.299) 1.641 16.429 ( -1.373 -3.041 2.998) 4.486 16.716 ( 3.223 -1.369 -2.987) 4.603 16.781 ( -1.532 -1.812 -0.342) 2.397 16.912 ( 1.938 -5.651 2.419) 6.446 17.181 ( -0.919 0.539 -6.603) 6.688 17.265 ( 0.705 1.347 5.597) 5.799 21.986 ( 0.805 -3.965 -1.398) 4.281 22.062 ( -1.347 -4.949 2.742) 5.816 22.214 ( 5.512 -3.263 4.651) 7.916 22.292 ( -1.652 2.254 -1.336) 3.097 22.435 ( -6.354 1.760 0.151) 6.595 22.552 ( 3.523 -3.209 -1.047) 4.879 22.669 ( 1.715 0.332 0.237) 1.762 22.707 ( 3.017 7.190 1.749) 7.991 23.044 ( -0.882 -2.218 -4.262) 4.885 23.112 ( 1.888 -1.068 4.619) 5.103 23.586 ( -1.808 -1.653 2.343) 3.390 23.702 ( -1.457 0.711 -3.644) 3.988 23.917 ( -2.978 -0.334 -0.249) 3.007 24.034 ( -2.301 -0.313 11.097) 11.337 24.553 ( 0.582 -0.230 8.879) 8.901 24.792 ( 5.951 -0.914 -22.122) 22.926 25.431 ( -7.008 -2.682 3.407) 8.241 25.530 ( -2.464 -0.434 -6.316) 6.794 26.045 ( -1.434 -6.163 6.695) 9.212 26.143 ( -0.568 -0.929 -1.399) 1.773 27.075 ( -9.951 -1.515 5.010) 11.243 27.311 ( -0.524 3.141 -0.311) 3.199 27.671 ( -11.182 1.922 -6.356) 13.005 27.776 ( -1.692 -4.074 -2.837) 5.245 27.909 ( 0.344 -9.514 -5.533) 11.011 28.165 ( 1.540 -4.954 1.034) 5.290 28.341 ( -12.015 1.365 -13.044) 17.787 28.567 ( 0.720 -1.219 8.880) 8.992 28.976 ( 12.773 9.124 0.311) 15.700 29.074 ( 2.174 -9.649 2.634) 10.236 29.659 ( 3.967 0.413 0.431) 4.012 29.770 ( 1.350 -1.611 3.491) 4.075 30.033 ( 0.333 -2.779 4.586) 5.372 30.240 ( 4.855 1.461 -0.722) 5.122 30.398 ( -2.615 0.967 -3.866) 4.767 30.436 ( 1.461 5.417 13.451) 14.574 31.091 ( -7.439 10.624 -3.217) 13.363 31.237 ( -0.490 -4.462 -3.679) 5.804 31.542 ( 6.543 7.920 -8.557) 13.370 31.810 ( 8.556 9.880 2.102) 13.238 32.735 ( 3.197 4.711 4.931) 7.532 32.928 ( 9.533 5.204 1.792) 11.008 33.543 ( -3.894 -2.041 10.361) 11.255 33.746 ( 0.786 1.756 -12.458) 12.605 34.680 ( 1.184 -1.474 8.404) 8.614 34.771 ( 3.602 5.441 -5.289) 8.400 35.133 ( -2.044 -0.946 5.213) 5.678 35.245 ( -0.392 3.306 -5.462) 6.396 36.664 ( -5.993 1.434 2.811) 6.773 36.782 ( -3.976 6.485 -3.096) 8.213 37.841 ( -4.271 1.087 -1.049) 4.530 37.957 ( 0.741 -1.868 8.139) 8.383 38.107 ( 1.695 -1.435 -1.187) 2.519 38.122 ( -1.407 -0.624 1.808) 2.374 38.295 ( -1.366 0.415 -2.759) 3.107 38.442 ( 1.967 2.098 1.031) 3.055 38.855 ( 2.614 -2.880 -0.569) 3.931 39.151 ( 5.684 -1.971 -5.222) 7.967 39.455 ( -0.377 -0.200 0.110) 0.441 39.543 ( 0.125 -1.849 0.148) 1.860 49.221 ( -0.369 -2.425 2.157) 3.266 49.296 ( 1.371 -2.721 -2.811) 4.146 49.499 ( -0.878 1.626 -0.449) 1.902 49.554 ( -0.106 1.799 -0.198) 1.813 86.510 ( -0.243 1.247 -1.442) 1.922 86.556 ( 0.525 1.578 0.499) 1.736 87.504 ( -18.706 -4.545 13.472) 23.496 87.649 ( -23.100 -6.812 -23.523) 33.666 89.358 ( 2.790 -1.221 1.094) 3.236 89.468 ( 2.560 -2.087 2.953) 4.431 89.634 ( 2.159 -1.443 -0.833) 2.727 89.647 ( 1.583 0.297 2.266) 2.780 90.419 ( 2.275 -4.736 13.615) 14.593 90.678 ( 9.514 -4.229 -5.332) 11.697 91.084 ( -6.393 -10.718 4.193) 13.165 91.337 ( -0.333 -0.263 -6.456) 6.470 91.988 ( 1.941 -0.901 4.180) 4.696 92.261 ( 7.688 8.713 -2.402) 11.866 93.122 ( -2.540 -2.788 3.704) 5.286 93.204 ( 0.563 -6.612 -8.415) 10.717 95.502 ( -1.603 4.356 9.252) 10.351 95.630 ( 1.418 4.616 -9.597) 10.743 96.212 ( 0.387 -0.883 4.180) 4.290 96.259 ( 0.263 -1.750 7.080) 7.298 96.680 ( 3.236 -0.954 1.910) 3.877 96.766 ( 5.321 5.049 -4.791) 8.761 97.156 ( -5.909 5.540 8.304) 11.600 97.449 ( 5.349 19.609 -13.561) 24.434 ======================= Grid point 204 (104/125) ======================= q-point: (-0.14 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -13.231 12.239 28.050) 33.341 2.479 ( -11.832 7.341 19.382) 23.865 2.607 ( -13.655 9.301 -4.213) 17.050 3.202 ( 0.363 8.845 -16.986) 19.154 3.479 ( -9.503 10.693 31.457) 34.557 3.729 ( 6.655 0.266 -8.131) 10.511 4.301 ( 0.905 -6.117 -1.445) 6.351 4.320 ( -1.844 -6.384 4.529) 8.042 4.481 ( -3.397 -5.916 1.114) 6.912 4.557 ( -0.435 -4.275 0.976) 4.406 4.646 ( 4.322 1.257 1.841) 4.863 4.684 ( -4.313 2.369 5.504) 7.383 4.836 ( 1.733 6.887 -18.262) 19.594 4.957 ( -7.043 0.261 -0.354) 7.057 5.209 ( 1.874 -9.275 2.218) 9.719 5.336 ( -2.605 -7.711 4.825) 9.461 5.427 ( 3.329 -1.012 -10.137) 10.718 5.495 ( -8.233 -3.763 0.228) 9.055 5.586 ( 3.289 -5.456 -5.714) 8.558 5.776 ( -2.651 3.333 2.349) 4.864 5.982 ( 15.786 4.716 -0.103) 16.476 6.107 ( 6.074 -2.387 0.946) 6.595 6.200 ( 0.237 5.288 -1.960) 5.644 6.396 ( -2.698 3.877 0.711) 4.777 6.590 ( 1.926 1.943 4.656) 5.400 6.684 ( 6.708 3.677 -9.620) 12.291 6.870 ( 0.140 -3.155 -1.331) 3.427 6.988 ( -8.212 -5.770 -10.497) 14.523 7.176 ( -6.094 -8.559 1.889) 10.675 7.194 ( 4.473 -5.047 3.350) 7.530 7.530 ( -10.449 -1.507 2.097) 10.763 7.664 ( -7.204 5.011 -9.073) 12.622 8.063 ( 6.000 -4.198 7.788) 10.690 8.145 ( 1.955 5.762 3.190) 6.871 8.441 ( -2.434 -11.771 2.985) 12.385 8.749 ( -9.925 -9.515 -3.215) 14.120 9.109 ( 9.571 7.357 2.666) 12.362 9.258 ( 5.558 3.140 -2.816) 6.978 9.733 ( 7.794 2.611 2.478) 8.585 9.804 ( 10.652 7.799 -5.835) 14.434 10.135 ( 6.359 4.816 3.683) 8.786 10.287 ( 3.272 5.914 -0.029) 6.759 11.932 ( 7.189 -2.584 -0.807) 7.682 12.198 ( -0.757 9.464 -0.437) 9.505 12.358 ( -2.354 -0.505 2.889) 3.761 12.465 ( -2.817 3.348 0.065) 4.376 12.872 ( 1.062 0.690 3.815) 4.019 12.912 ( 2.984 -0.028 -2.818) 4.104 13.435 ( -1.443 -1.772 7.582) 7.919 13.649 ( 1.732 0.994 -8.239) 8.478 15.552 ( -0.811 -0.495 0.754) 1.213 15.619 ( -3.233 -1.017 -1.159) 3.582 15.785 ( 1.541 -1.652 -1.269) 2.591 15.855 ( -1.605 -0.452 -0.766) 1.835 16.200 ( -2.767 -1.831 1.250) 3.546 16.269 ( -0.500 1.745 -4.487) 4.840 16.466 ( 2.386 -2.400 4.793) 5.867 16.709 ( -2.032 -0.625 -3.594) 4.175 16.778 ( 0.224 -1.722 2.252) 2.843 16.916 ( -0.899 -6.557 -2.776) 7.177 17.192 ( 3.888 0.406 -2.334) 4.553 17.276 ( -1.664 1.191 3.381) 3.952 22.010 ( 1.518 -4.625 0.793) 4.932 22.068 ( 1.290 -3.627 0.933) 3.962 22.234 ( -2.386 2.591 -1.254) 3.739 22.315 ( -5.407 0.726 0.403) 5.470 22.371 ( 6.440 -3.368 4.727) 8.670 22.605 ( 1.522 -2.306 -0.413) 2.794 22.691 ( 0.841 -1.271 -0.488) 1.600 22.739 ( -0.092 5.458 -0.494) 5.481 23.042 ( 2.882 -2.301 -1.570) 4.008 23.152 ( -0.155 -2.048 3.079) 3.701 23.574 ( -0.982 -1.419 1.928) 2.588 23.641 ( -2.336 0.874 -3.949) 4.671 23.897 ( 1.051 0.823 0.032) 1.335 24.004 ( -6.005 0.128 8.396) 10.323 24.587 ( -1.570 -0.592 8.500) 8.664 24.819 ( 7.526 -1.545 -20.648) 22.031 25.305 ( -6.687 -1.853 4.108) 8.064 25.451 ( -3.057 -1.212 -5.544) 6.446 26.043 ( -1.953 -4.770 5.251) 7.358 26.124 ( -0.423 -0.459 -2.089) 2.181 26.993 ( -3.304 -0.137 13.347) 13.750 27.308 ( 1.482 1.567 -5.581) 5.983 27.455 ( -8.628 1.004 -4.503) 9.784 27.663 ( -12.806 -7.256 -11.589) 18.733 27.748 ( -5.054 2.142 8.282) 9.936 28.129 ( -0.594 6.251 -14.643) 15.933 28.356 ( 10.340 -13.127 1.518) 16.779 28.639 ( 1.274 -8.720 4.975) 10.120 29.069 ( -0.491 -11.916 7.473) 14.074 29.201 ( 9.071 8.930 -3.148) 13.113 29.741 ( 3.070 6.091 -0.118) 6.821 29.769 ( -2.003 -3.601 0.492) 4.150 30.070 ( 0.868 -2.106 6.930) 7.295 30.276 ( -0.457 5.060 -4.909) 7.065 30.391 ( 4.669 5.434 -0.691) 7.197 30.512 ( -1.956 -0.427 11.005) 11.186 30.970 ( -2.527 7.474 1.579) 8.046 31.271 ( 4.072 -4.522 -5.358) 8.108 31.604 ( 4.508 10.009 -6.792) 12.908 31.871 ( -1.616 9.074 -3.670) 9.920 32.872 ( 7.501 4.856 9.072) 12.733 33.104 ( 7.149 4.928 1.571) 8.824 33.510 ( -5.486 -2.633 10.741) 12.345 33.695 ( 1.221 3.217 -14.875) 15.268 34.738 ( 1.060 -2.190 7.268) 7.665 34.829 ( 3.950 4.446 -2.973) 6.649 35.117 ( -0.533 -2.034 1.128) 2.387 35.201 ( -2.500 1.600 -2.308) 3.760 36.585 ( -3.675 4.188 3.296) 6.474 36.679 ( -4.717 8.581 -3.157) 10.288 37.797 ( 0.280 1.269 -0.710) 1.481 37.941 ( -10.765 -2.349 9.650) 14.647 38.058 ( 2.942 0.673 3.411) 4.555 38.192 ( 5.434 -0.374 -5.586) 7.803 38.312 ( 1.479 -2.677 0.573) 3.111 38.455 ( 0.037 2.031 -4.928) 5.330 38.931 ( 5.354 -3.894 0.813) 6.670 39.174 ( -1.167 -2.383 -3.477) 4.374 39.478 ( 3.104 0.864 -1.778) 3.680 39.535 ( -1.368 -0.435 0.740) 1.615 49.229 ( 0.104 -2.297 2.223) 3.198 49.301 ( 0.475 -2.846 -2.748) 3.985 49.491 ( 0.430 1.699 -0.672) 1.877 49.535 ( -1.840 1.733 -0.106) 2.530 86.521 ( 2.165 1.393 -1.296) 2.882 86.575 ( 1.232 1.325 0.752) 1.959 87.143 ( -16.651 -3.281 -8.533) 18.996 87.216 ( -19.067 -2.110 6.602) 20.288 89.420 ( 3.120 -1.628 0.595) 3.570 89.497 ( -0.520 -1.925 1.593) 2.552 89.676 ( 0.556 -0.014 2.011) 2.087 89.681 ( 2.734 -0.688 -1.027) 3.000 90.545 ( 4.951 -6.708 11.448) 14.162 90.857 ( 9.954 -5.476 -0.606) 11.377 90.975 ( -6.742 -11.342 2.704) 13.469 91.288 ( -1.283 2.014 -7.706) 8.067 92.072 ( 4.359 -1.307 6.172) 7.668 92.362 ( 3.276 8.310 -2.150) 9.188 93.073 ( -2.583 -4.727 -0.182) 5.390 93.171 ( -0.181 -6.618 -7.996) 10.381 95.503 ( -2.682 3.862 8.211) 9.462 95.619 ( 2.082 4.407 -8.361) 9.678 96.262 ( 2.598 -3.170 3.629) 5.475 96.292 ( -1.110 -2.693 9.251) 9.699 96.746 ( 3.517 -0.191 -0.796) 3.610 96.853 ( 4.746 3.181 -1.805) 5.991 97.079 ( -5.893 7.610 9.519) 13.537 97.469 ( 4.189 22.602 -18.611) 29.576 ======================= Grid point 205 (105/125) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 12.173 20.558 23.558) 33.553 2.423 ( -7.112 15.702 -17.738) 24.735 2.900 ( -0.574 16.948 19.677) 25.975 3.272 ( -0.766 5.931 -15.733) 16.832 3.623 ( -4.600 2.710 12.811) 13.879 3.769 ( 3.171 -0.464 -1.898) 3.725 4.224 ( 1.250 -4.911 4.643) 6.873 4.255 ( -3.539 -0.316 8.280) 9.010 4.306 ( -2.170 -7.668 0.530) 7.986 4.490 ( 5.761 -0.442 -4.983) 7.630 4.626 ( -4.591 -2.870 5.615) 7.801 4.736 ( 1.072 0.856 -2.254) 2.639 4.835 ( -3.778 1.514 1.393) 4.302 4.913 ( 1.283 -1.850 -3.170) 3.888 5.089 ( -1.551 -2.065 9.161) 9.518 5.222 ( -5.527 -5.095 -4.599) 8.812 5.298 ( 2.626 2.924 -5.140) 6.471 5.471 ( 5.194 -2.161 -16.464) 17.399 5.540 ( 1.866 -4.622 7.578) 9.070 5.698 ( -0.512 -3.133 -6.734) 7.445 6.102 ( 0.125 -4.418 4.193) 6.092 6.116 ( -0.695 -5.591 1.120) 5.745 6.270 ( -7.450 -0.577 -0.332) 7.480 6.319 ( 4.993 -0.656 -3.748) 6.278 6.623 ( -2.808 0.953 8.090) 8.616 6.716 ( -1.451 -5.239 -3.635) 6.540 6.790 ( -3.729 -1.799 1.536) 4.416 6.844 ( 6.368 -9.074 0.378) 11.092 7.108 ( 5.046 5.625 -4.887) 8.999 7.187 ( 2.052 1.057 -9.021) 9.312 7.448 ( -0.615 3.940 11.438) 12.113 7.633 ( -3.430 5.884 -7.303) 9.987 8.127 ( 11.729 -10.131 6.772) 16.914 8.224 ( -7.501 -3.606 -2.336) 8.645 8.356 ( -7.814 -5.463 -0.081) 9.535 8.367 ( 4.475 2.636 -0.201) 5.198 9.331 ( 2.773 1.417 -0.454) 3.147 9.352 ( -3.617 2.813 -2.757) 5.348 9.935 ( 5.171 4.949 1.865) 7.397 9.974 ( -4.402 -0.272 -1.982) 4.836 10.345 ( 0.089 7.945 2.911) 8.462 10.426 ( 3.873 10.221 -5.711) 12.332 12.083 ( -11.347 -0.300 0.553) 11.365 12.093 ( 10.368 -0.300 -0.369) 10.379 12.490 ( 1.849 4.991 1.472) 5.522 12.510 ( -0.911 5.045 -0.677) 5.171 12.890 ( -1.574 0.761 1.284) 2.168 12.908 ( 0.836 -1.906 -0.512) 2.143 13.473 ( 0.601 1.621 8.277) 8.456 13.633 ( -0.549 -0.067 -8.304) 8.323 15.529 ( -0.231 -1.277 1.072) 1.683 15.553 ( 0.360 -1.247 -1.171) 1.748 15.791 ( -0.475 -1.252 -0.538) 1.443 15.800 ( 0.644 -1.417 -1.610) 2.239 16.161 ( -0.261 -0.563 5.253) 5.290 16.278 ( 0.479 1.646 -6.583) 6.803 16.491 ( 3.747 -3.174 5.031) 7.031 16.578 ( -5.607 -2.863 -3.931) 7.423 16.716 ( -2.248 -4.763 4.185) 6.727 16.815 ( 3.488 -3.100 -5.409) 7.143 17.241 ( -3.388 1.375 3.021) 4.743 17.299 ( 4.156 0.991 -2.771) 5.092 21.937 ( -1.204 -4.202 5.350) 6.909 22.026 ( 2.336 -3.443 -3.623) 5.517 22.229 ( -2.115 -0.787 0.939) 2.445 22.249 ( 0.241 0.290 -1.074) 1.139 22.450 ( 2.321 -1.997 5.396) 6.205 22.548 ( -2.126 -2.262 -4.860) 5.767 22.688 ( 2.255 0.809 5.754) 6.233 22.779 ( -3.192 2.801 -3.192) 5.313 23.050 ( -2.984 -3.434 1.327) 4.739 23.071 ( 4.590 -3.226 -0.781) 5.664 23.551 ( -0.089 -0.411 2.243) 2.282 23.604 ( -1.737 -0.022 -2.637) 3.158 23.925 ( -5.162 1.291 6.893) 8.708 23.990 ( 3.647 1.205 0.319) 3.854 24.567 ( -3.292 0.267 6.682) 7.453 24.817 ( 5.909 -2.418 -17.593) 18.716 25.183 ( -4.377 -5.082 8.967) 11.198 25.355 ( 2.170 -2.395 -8.530) 9.122 25.948 ( -1.550 -4.303 8.006) 9.220 26.110 ( 2.331 -0.449 -7.150) 7.534 27.071 ( 2.333 1.863 14.714) 15.014 27.300 ( -4.423 0.006 -6.422) 7.798 27.356 ( 2.080 1.497 1.543) 2.991 27.440 ( -1.566 1.398 -9.560) 9.788 27.836 ( 4.600 0.676 10.662) 11.631 28.064 ( -5.272 -5.553 -9.235) 11.997 28.333 ( 7.820 -5.834 -1.688) 9.901 28.398 ( -2.605 -4.990 -6.002) 8.229 28.921 ( 1.179 -9.340 9.399) 13.302 29.140 ( 0.051 -13.177 -12.770) 18.350 29.910 ( 4.274 11.370 4.029) 12.797 29.972 ( -1.642 11.836 -1.293) 12.019 30.082 ( -3.157 -0.626 10.749) 11.220 30.235 ( -1.212 -2.364 -2.533) 3.671 30.515 ( -3.078 3.844 1.575) 5.171 30.575 ( 4.209 2.757 -3.252) 5.991 31.112 ( 0.006 5.708 5.072) 7.635 31.249 ( 0.498 0.134 -7.868) 7.884 31.920 ( 5.523 13.279 0.715) 14.400 31.937 ( -8.373 10.606 -0.149) 13.514 33.132 ( 7.371 1.602 10.587) 12.999 33.277 ( -5.047 4.506 -4.894) 8.350 33.413 ( -5.235 2.162 11.542) 12.857 33.686 ( 5.011 -2.179 -16.088) 16.991 34.735 ( 0.207 -2.334 9.842) 10.117 34.889 ( -2.084 1.436 -5.708) 6.244 35.045 ( -7.548 -0.641 7.449) 10.623 35.205 ( 7.770 -0.872 -8.998) 11.921 36.695 ( -3.005 8.615 8.723) 12.623 36.852 ( 2.765 11.923 -7.836) 14.533 37.754 ( -7.332 -3.497 9.486) 12.489 37.868 ( 5.709 -0.032 -1.778) 5.979 38.138 ( 2.183 -0.170 2.363) 3.221 38.206 ( 0.476 -1.740 -4.909) 5.230 38.290 ( -1.062 -0.962 3.803) 4.064 38.422 ( 0.495 0.097 -9.785) 9.798 38.941 ( 4.108 -5.501 4.388) 8.147 39.031 ( -4.094 -4.005 -4.916) 7.548 39.508 ( -2.906 1.042 1.342) 3.367 39.548 ( 2.538 0.755 -2.768) 3.831 49.194 ( 0.106 -2.408 1.946) 3.098 49.233 ( -0.265 -2.677 -2.000) 3.352 49.530 ( -0.698 1.845 1.069) 2.243 49.550 ( 0.449 1.791 -0.930) 2.067 86.589 ( -2.678 1.866 1.280) 3.506 86.622 ( 3.132 2.714 -2.125) 4.657 86.928 ( -8.145 -2.427 3.772) 9.298 86.999 ( 8.983 -3.374 -3.612) 10.253 89.425 ( -0.880 -2.219 0.820) 2.524 89.439 ( 1.265 -2.248 -0.503) 2.628 89.679 ( -1.383 -0.110 1.658) 2.162 89.702 ( 2.086 -1.257 -0.716) 2.539 90.475 ( -2.216 -10.776 10.864) 15.461 90.670 ( 1.084 -7.741 -6.007) 9.858 90.861 ( -0.330 -7.764 14.085) 16.086 91.240 ( 3.476 -1.829 -20.533) 20.906 92.217 ( 4.653 2.230 13.862) 14.791 92.477 ( -2.887 6.922 -12.231) 14.348 92.914 ( -9.354 -3.673 5.388) 11.402 93.044 ( 6.988 -5.105 -8.111) 11.861 95.568 ( -4.724 5.360 10.906) 13.038 95.738 ( 2.544 6.345 -6.581) 9.489 96.183 ( -1.935 -6.032 5.233) 8.217 96.280 ( 3.594 -2.931 -4.007) 6.129 96.807 ( -0.737 1.995 7.771) 8.057 96.940 ( 0.184 4.760 -5.153) 7.018 97.314 ( -2.687 11.661 23.223) 26.125 97.825 ( 2.488 17.336 -30.196) 34.907 ======================= Grid point 206 (106/125) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 6.310 16.681 -22.134) 28.425 2.411 ( 18.053 13.408 16.490) 27.886 2.983 ( -0.855 14.706 17.377) 22.781 3.213 ( 2.543 4.221 -13.624) 14.488 3.600 ( -4.341 6.661 10.786) 13.400 3.767 ( -4.433 -1.813 -0.392) 4.805 4.190 ( 2.188 -11.133 -3.660) 11.921 4.321 ( -0.933 -1.117 10.557) 10.657 4.379 ( 6.447 -4.757 7.912) 11.261 4.522 ( 0.415 3.610 -6.784) 7.696 4.553 ( -3.577 3.579 8.129) 9.575 4.701 ( -2.333 0.269 -2.963) 3.781 4.836 ( 2.269 -0.258 -1.609) 2.794 4.988 ( 5.994 1.392 3.055) 6.870 5.103 ( -2.581 -6.003 -3.753) 7.536 5.114 ( -0.588 -5.079 6.212) 8.046 5.340 ( 1.486 -2.935 0.311) 3.305 5.518 ( 5.971 -1.027 -8.286) 10.265 5.522 ( 0.585 -0.386 -7.131) 7.165 5.779 ( 7.082 -2.705 -0.737) 7.617 6.047 ( -6.708 -4.130 1.451) 8.010 6.073 ( -7.798 0.848 -1.076) 7.917 6.152 ( -1.506 -0.012 7.941) 8.082 6.421 ( 5.211 -4.958 -4.018) 8.239 6.628 ( -4.025 -0.966 5.847) 7.165 6.671 ( 2.052 -4.758 -0.235) 5.187 6.744 ( -2.102 -0.390 5.135) 5.562 6.971 ( 5.547 -0.791 -9.398) 10.942 7.134 ( 1.210 -3.185 -6.564) 7.395 7.189 ( 4.101 4.850 -2.722) 6.911 7.553 ( 5.714 0.842 3.841) 6.936 7.603 ( 2.934 6.493 1.563) 7.294 8.035 ( -8.761 -12.170 -8.893) 17.434 8.225 ( -4.514 0.431 2.644) 5.249 8.343 ( 8.418 -8.814 5.021) 13.182 8.500 ( 6.791 -0.274 0.954) 6.863 9.160 ( -15.559 -1.834 -1.657) 15.755 9.305 ( -4.798 4.338 0.375) 6.479 9.786 ( -12.793 -3.958 -2.267) 13.582 9.895 ( -10.559 7.890 0.343) 13.186 10.378 ( 1.253 7.416 1.983) 7.778 10.477 ( 4.490 12.466 -8.599) 15.796 11.901 ( -7.816 1.139 1.035) 7.966 12.273 ( 8.175 -2.700 0.679) 8.636 12.435 ( -4.476 7.602 -0.858) 8.863 12.568 ( 4.149 4.844 -0.683) 6.414 12.871 ( -0.935 1.356 1.827) 2.460 12.917 ( 0.226 -1.289 -0.260) 1.334 13.472 ( -3.884 1.087 4.191) 5.817 13.597 ( 0.088 -0.709 -4.256) 4.316 15.547 ( 1.890 -0.960 0.260) 2.135 15.589 ( 3.370 -1.120 -0.482) 3.584 15.745 ( -2.010 -1.869 -0.789) 2.856 15.832 ( 1.540 -1.132 -0.941) 2.131 16.185 ( 0.096 0.806 4.238) 4.315 16.281 ( 2.890 0.093 -4.905) 5.694 16.472 ( -4.124 -3.312 -2.028) 5.665 16.586 ( 3.338 -3.467 5.630) 7.407 16.678 ( -3.747 -6.127 2.951) 7.765 16.849 ( 3.320 -1.409 -5.737) 6.776 17.172 ( -4.464 1.521 2.173) 5.193 17.364 ( 3.624 1.080 -3.467) 5.130 21.912 ( -3.217 -3.298 3.279) 5.655 22.042 ( 1.253 -3.973 -4.405) 6.063 22.201 ( 0.233 0.732 2.202) 2.332 22.324 ( 5.394 -1.548 1.132) 5.725 22.404 ( -7.185 -2.228 -1.069) 7.598 22.497 ( -1.933 -1.796 1.024) 2.830 22.720 ( -1.815 0.088 -1.791) 2.551 22.785 ( 3.880 3.707 5.030) 7.355 22.968 ( -3.522 -3.193 -0.178) 4.758 23.168 ( 3.983 -1.851 -2.868) 5.246 23.566 ( 1.008 -0.254 3.313) 3.472 23.586 ( 0.396 -0.742 -0.205) 0.865 23.866 ( -3.865 1.005 6.049) 7.249 24.066 ( 3.003 -0.031 1.174) 3.225 24.525 ( -4.425 1.395 7.011) 8.407 24.833 ( 4.670 -2.822 -17.277) 18.118 25.167 ( -2.095 -8.042 9.708) 12.779 25.406 ( 6.494 0.448 -5.276) 8.379 25.962 ( -0.585 -4.095 5.967) 7.261 26.131 ( 3.592 -0.950 -7.951) 8.776 27.151 ( -1.404 3.149 5.781) 6.731 27.263 ( 3.522 -0.811 -1.069) 3.769 27.408 ( 5.114 1.879 -0.322) 5.458 27.504 ( 9.687 1.200 -1.014) 9.814 27.933 ( -2.222 -5.402 -9.489) 11.142 28.006 ( 6.021 1.281 9.396) 11.233 28.306 ( -2.328 -2.640 -9.933) 10.538 28.476 ( 8.437 -9.820 -1.960) 13.094 28.934 ( -3.444 -7.419 4.465) 9.319 29.096 ( 0.261 -12.944 -8.524) 15.501 29.865 ( -7.553 9.678 -1.383) 12.354 29.925 ( -4.779 7.325 0.697) 8.774 30.097 ( 0.273 2.281 7.327) 7.679 30.230 ( 0.277 -3.654 3.317) 4.943 30.401 ( -6.988 2.746 -2.896) 8.048 30.712 ( 9.936 4.566 -0.356) 10.940 31.040 ( -8.771 2.365 1.038) 9.144 31.263 ( 3.637 3.513 -3.795) 6.322 31.756 ( -10.231 10.298 1.629) 14.608 32.028 ( 3.502 14.568 3.883) 15.478 33.087 ( -10.605 2.659 -5.001) 12.022 33.276 ( 0.595 7.728 -0.179) 7.753 33.363 ( -2.908 -2.867 15.032) 15.577 33.718 ( 5.036 -0.241 -13.348) 14.268 34.761 ( -4.218 0.911 9.472) 10.409 34.819 ( -1.900 -0.547 -0.629) 2.075 34.979 ( -1.349 -0.853 3.027) 3.422 35.318 ( 7.488 -0.308 -7.289) 10.454 36.689 ( -1.040 8.636 7.126) 11.245 36.888 ( 4.120 10.125 -6.303) 12.618 37.707 ( -1.860 -2.347 7.990) 8.533 37.996 ( 7.497 -2.005 0.431) 7.772 38.127 ( -2.736 -0.842 -1.474) 3.220 38.146 ( -3.767 -0.380 -3.871) 5.415 38.306 ( 0.142 -1.587 1.137) 1.958 38.434 ( 4.460 0.412 -4.844) 6.597 38.912 ( -4.627 -2.288 -3.815) 6.418 39.019 ( 0.526 -5.065 3.537) 6.200 39.450 ( -3.461 -0.218 1.732) 3.876 39.557 ( -0.420 0.061 -1.951) 1.997 49.199 ( -0.671 -2.565 2.095) 3.379 49.218 ( -0.220 -2.546 -1.878) 3.171 49.522 ( -0.159 2.553 0.862) 2.699 49.568 ( 1.297 1.272 -0.413) 1.863 86.536 ( -2.134 1.693 0.590) 2.787 86.639 ( -0.526 2.501 -1.767) 3.108 86.955 ( 8.473 -1.480 5.362) 10.136 87.278 ( 21.340 -6.541 -7.341) 23.496 89.382 ( -2.734 -2.159 0.111) 3.485 89.472 ( 1.400 -2.432 -0.716) 2.896 89.644 ( -2.707 -0.734 0.860) 2.933 89.718 ( 0.044 -0.349 -1.648) 1.685 90.402 ( -8.280 -10.843 6.605) 15.158 90.745 ( 7.010 -8.250 -0.890) 10.863 90.863 ( -5.081 -7.193 7.754) 11.734 91.211 ( 3.454 -2.881 -18.445) 18.985 92.314 ( -2.501 5.547 -1.963) 6.393 92.389 ( 1.464 4.224 -1.160) 4.619 92.762 ( -8.923 -3.506 9.330) 13.378 93.148 ( 6.651 -4.411 -5.307) 9.584 95.536 ( -4.301 5.109 11.744) 13.511 95.759 ( 2.517 5.941 -5.275) 8.334 96.165 ( -2.014 -5.799 3.533) 7.082 96.332 ( 4.404 -2.939 -6.320) 8.244 96.782 ( -5.049 3.702 7.189) 9.533 96.904 ( -2.156 3.956 -4.999) 6.730 97.357 ( -4.362 12.109 21.610) 25.152 97.735 ( 2.501 16.705 -24.001) 29.349 ======================= Grid point 207 (107/125) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 18.187 12.674 -19.365) 29.435 2.761 ( 11.551 5.469 10.151) 16.321 3.000 ( -2.883 7.827 7.268) 11.064 3.231 ( 1.847 5.723 -4.042) 7.246 3.546 ( -8.642 9.057 6.041) 13.900 3.665 ( -2.253 -5.599 8.030) 10.045 4.226 ( -3.716 -15.287 -6.627) 17.071 4.283 ( -1.182 -11.439 -1.730) 11.629 4.422 ( 1.738 8.566 0.321) 8.747 4.595 ( -1.246 13.718 20.297) 24.530 4.605 ( 5.085 3.376 -5.626) 8.301 4.693 ( 5.271 0.176 3.326) 6.235 4.872 ( 3.103 -4.071 -3.713) 6.323 5.013 ( -3.391 -1.044 4.701) 5.890 5.142 ( 5.885 4.320 6.822) 9.991 5.208 ( 7.005 -6.398 -1.931) 9.682 5.399 ( 6.117 -4.261 -0.383) 7.464 5.490 ( -0.228 2.859 -4.195) 5.082 5.611 ( 4.960 -0.859 -4.714) 6.896 5.822 ( -4.068 -7.648 -5.019) 10.012 5.896 ( -9.896 5.986 1.994) 11.736 5.974 ( 1.048 3.427 2.301) 4.259 6.218 ( 3.346 3.005 5.783) 7.326 6.402 ( -5.020 -2.262 -4.945) 7.400 6.553 ( -3.676 -1.797 0.715) 4.154 6.704 ( 1.071 -1.618 -1.039) 2.201 6.816 ( 4.444 -0.835 7.200) 8.502 6.963 ( 2.633 -1.182 -6.531) 7.140 7.162 ( -1.078 0.882 -4.369) 4.585 7.266 ( 6.985 -0.162 -0.767) 7.029 7.665 ( 4.283 -4.417 -1.606) 6.359 7.750 ( 10.459 -1.983 5.544) 12.002 7.901 ( 1.402 -12.977 -6.625) 14.638 8.208 ( 1.378 -0.623 1.589) 2.194 8.474 ( 2.893 -6.497 2.482) 7.533 8.583 ( 0.185 -4.014 0.713) 4.081 8.803 ( -19.301 -5.162 -2.800) 20.174 9.216 ( -3.401 5.006 -0.143) 6.054 9.499 ( -16.607 -6.465 -5.826) 18.749 9.625 ( -17.037 8.205 2.398) 19.062 10.374 ( -3.065 11.007 4.002) 12.106 10.498 ( 2.460 13.828 -9.936) 17.204 11.832 ( 0.059 2.464 1.128) 2.711 12.273 ( -8.057 -0.522 -1.215) 8.165 12.446 ( 5.925 6.582 1.503) 8.983 12.641 ( 4.220 5.732 -2.089) 7.418 12.862 ( -1.541 1.809 1.678) 2.909 12.913 ( -0.476 1.838 -0.879) 2.092 13.418 ( -2.311 -2.005 1.843) 3.572 13.572 ( -1.702 -1.372 -1.523) 2.664 15.590 ( 2.320 -0.426 -0.353) 2.385 15.636 ( 0.917 -0.467 0.068) 1.031 15.740 ( 2.702 -2.662 -1.341) 4.023 15.844 ( 0.155 -1.529 -0.384) 1.584 16.206 ( 0.661 1.671 3.066) 3.553 16.329 ( 3.383 -1.199 -1.809) 4.019 16.410 ( -1.752 -3.761 -1.277) 4.342 16.603 ( -4.769 -4.752 1.150) 6.830 16.658 ( 1.326 -5.351 5.253) 7.615 16.883 ( 2.798 -1.969 -5.996) 6.903 17.122 ( -1.763 2.433 3.663) 4.738 17.387 ( 0.854 1.037 -4.966) 5.145 21.871 ( -2.282 -3.224 2.772) 4.826 22.039 ( 0.800 -4.224 -4.520) 6.238 22.210 ( -1.972 -2.677 -2.440) 4.124 22.285 ( -4.456 0.269 3.611) 5.742 22.418 ( 3.139 -2.879 1.159) 4.414 22.483 ( 1.895 1.084 1.851) 2.862 22.682 ( -1.898 0.042 -0.174) 1.907 22.841 ( -0.458 2.501 3.659) 4.455 22.942 ( 0.360 0.258 0.317) 0.545 23.177 ( -0.346 -0.689 -5.221) 5.277 23.595 ( 2.038 -2.026 -2.125) 3.574 23.629 ( 1.726 0.233 5.199) 5.483 23.852 ( -0.745 -0.474 7.201) 7.255 24.089 ( -1.330 -1.331 1.761) 2.577 24.485 ( -3.184 2.431 7.835) 8.800 24.834 ( 4.204 -2.235 -17.597) 18.230 25.201 ( 0.332 -9.382 12.572) 15.690 25.518 ( 7.347 1.680 -4.269) 8.662 25.970 ( -1.339 -4.284 4.127) 6.097 26.155 ( 2.923 -1.817 -9.782) 10.370 27.138 ( 1.563 -1.631 -2.677) 3.503 27.343 ( 2.380 5.348 6.000) 8.382 27.563 ( 8.233 -5.615 2.566) 10.290 27.695 ( 9.424 3.379 -1.514) 10.125 27.832 ( -1.676 -6.730 -8.802) 11.206 28.193 ( 9.323 1.262 3.146) 9.920 28.239 ( 0.201 3.745 -3.080) 4.853 28.633 ( 9.972 -10.321 -4.558) 15.058 28.873 ( -3.856 -6.004 0.650) 7.165 29.018 ( -6.249 -6.444 -4.388) 9.991 29.699 ( -9.767 4.752 2.418) 11.128 29.827 ( -4.212 0.098 -3.695) 5.604 30.084 ( -3.039 0.518 -0.308) 3.099 30.212 ( -8.702 -1.687 3.994) 9.722 30.327 ( 3.479 1.994 1.728) 4.366 30.799 ( -6.223 6.814 -8.838) 12.777 30.994 ( 9.979 1.559 10.810) 14.794 31.323 ( 4.826 6.409 -2.982) 8.559 31.587 ( -9.495 8.457 3.673) 13.235 32.050 ( -4.035 13.969 2.912) 14.829 32.883 ( -7.807 4.147 -3.424) 9.480 33.164 ( -7.585 8.197 -3.616) 11.739 33.457 ( 2.228 -3.074 12.479) 13.044 33.736 ( 3.409 0.651 -11.572) 12.082 34.683 ( -6.648 1.810 9.547) 11.774 34.820 ( 0.994 0.622 -2.589) 2.842 35.018 ( 2.881 0.488 5.669) 6.378 35.388 ( 3.337 1.277 -6.588) 7.494 36.729 ( 2.128 6.037 5.131) 8.203 36.925 ( 2.426 7.422 -4.970) 9.256 37.758 ( 3.271 -1.606 6.925) 7.826 38.029 ( -2.528 -4.564 -2.117) 5.630 38.039 ( -5.719 -1.418 -0.500) 5.914 38.165 ( 4.623 -0.786 -0.764) 4.752 38.287 ( -1.175 2.695 1.145) 3.156 38.509 ( 4.844 0.899 -4.373) 6.588 38.841 ( -0.589 -1.408 -3.601) 3.911 38.996 ( -4.691 -3.240 3.800) 6.851 39.416 ( -0.865 -2.850 1.277) 3.240 39.522 ( -2.204 -1.422 -1.467) 3.006 49.191 ( -1.208 -2.721 2.266) 3.742 49.210 ( 0.351 -2.560 -2.060) 3.304 49.533 ( 0.766 2.665 0.952) 2.932 49.584 ( 0.618 1.247 -0.424) 1.455 86.526 ( 0.584 1.699 0.384) 1.837 86.623 ( -0.217 2.589 -1.700) 3.105 87.211 ( 13.420 -3.247 10.602) 17.408 87.637 ( 21.189 -10.225 -12.743) 26.757 89.336 ( -2.109 -1.830 -0.162) 2.797 89.469 ( -1.343 -2.836 -2.355) 3.923 89.599 ( -2.272 -1.168 0.455) 2.595 89.689 ( -2.125 -0.211 -1.735) 2.751 90.281 ( -8.149 -8.239 9.528) 15.002 90.754 ( -4.752 -3.873 -10.476) 12.138 90.880 ( 4.695 -10.070 7.665) 13.498 91.196 ( 2.758 -5.850 -13.149) 14.654 92.225 ( -1.898 6.805 -8.564) 11.102 92.347 ( -6.992 4.013 -1.042) 8.129 92.761 ( 1.608 -3.052 17.636) 17.970 93.220 ( 3.798 -3.590 -5.798) 7.806 95.525 ( -3.035 5.275 12.968) 14.325 95.775 ( 1.655 5.588 -4.556) 7.397 96.148 ( -1.277 -5.142 2.580) 5.893 96.367 ( 2.725 -1.942 -9.153) 9.746 96.716 ( -5.085 4.207 6.228) 9.074 96.812 ( -4.140 3.717 -5.029) 7.500 97.371 ( -3.943 12.040 18.635) 22.534 97.700 ( 3.543 15.600 -16.821) 23.213 ======================= Grid point 208 (108/125) ======================= q-point: ( 0.43 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 13.469 7.335 -6.107) 16.508 2.851 ( -7.829 2.932 2.433) 8.706 2.965 ( -3.277 6.571 10.740) 13.010 3.234 ( 3.619 2.108 -12.137) 12.839 3.451 ( 0.935 3.708 9.986) 10.693 3.729 ( -1.583 -2.154 6.359) 6.898 4.078 ( -2.244 -11.899 -1.194) 12.168 4.246 ( -5.480 -11.305 -1.824) 12.695 4.454 ( 1.274 6.080 -1.985) 6.522 4.553 ( -3.424 6.287 -3.018) 7.769 4.724 ( 0.578 5.925 12.397) 13.752 4.832 ( 6.514 3.920 -0.340) 7.610 4.930 ( 7.003 -6.483 -1.953) 9.741 5.031 ( -0.355 6.992 7.799) 10.480 5.215 ( 0.980 6.153 3.673) 7.233 5.343 ( 5.065 -5.840 3.812) 8.619 5.474 ( -2.314 -0.637 5.532) 6.030 5.489 ( 0.566 5.031 -4.850) 7.011 5.655 ( 2.885 3.189 1.003) 4.416 5.707 ( -2.255 -3.166 -6.962) 7.973 5.798 ( 1.141 1.344 -3.747) 4.141 5.964 ( -4.007 1.897 -6.184) 7.609 6.227 ( -2.763 4.438 5.104) 7.307 6.380 ( 3.803 2.623 -3.192) 5.615 6.516 ( 0.296 0.454 2.263) 2.327 6.712 ( 1.061 0.840 -6.029) 6.179 6.870 ( 0.018 -2.228 4.129) 4.692 7.060 ( 5.966 -6.794 4.622) 10.154 7.076 ( -4.310 3.196 -5.866) 7.950 7.329 ( -1.252 -6.274 -6.055) 8.809 7.767 ( 10.589 -10.982 3.679) 15.693 7.947 ( 7.637 -5.525 6.586) 11.499 8.054 ( 10.059 -11.054 1.010) 14.980 8.237 ( -7.866 -3.981 -9.195) 12.739 8.284 ( -12.557 -5.896 9.238) 16.667 8.524 ( -1.331 0.084 -10.836) 10.918 8.701 ( 6.786 -7.189 3.118) 10.366 9.104 ( -16.249 -5.732 -8.291) 19.121 9.252 ( 2.479 5.794 0.185) 6.305 9.367 ( -10.969 4.861 1.956) 12.156 10.327 ( -4.164 13.400 7.310) 15.822 10.485 ( 1.386 15.094 -9.783) 18.040 11.902 ( 6.161 2.869 1.666) 6.998 12.098 ( -9.124 2.212 -2.075) 9.615 12.558 ( 4.662 5.935 2.620) 7.989 12.680 ( 0.514 5.928 -3.137) 6.726 12.834 ( -1.745 2.854 2.097) 3.948 12.889 ( -0.951 3.463 -2.166) 4.194 13.416 ( -0.533 -2.577 4.997) 5.647 13.530 ( -0.452 -3.707 -4.349) 5.733 15.611 ( -0.478 -0.269 1.428) 1.529 15.646 ( 1.578 -0.329 -2.659) 3.109 15.804 ( 3.853 -2.453 -1.343) 4.761 15.831 ( -1.705 -2.333 0.249) 2.900 16.240 ( 1.202 2.040 3.787) 4.466 16.336 ( -1.979 -1.391 -0.573) 2.485 16.426 ( 2.684 -5.059 0.511) 5.750 16.522 ( -2.555 -4.701 -2.734) 6.008 16.700 ( 0.682 -4.694 5.800) 7.493 16.874 ( -0.294 -2.066 -7.303) 7.595 17.153 ( 2.202 2.362 6.076) 6.881 17.352 ( -1.678 1.013 -6.269) 6.568 21.866 ( 0.212 -3.715 3.687) 5.238 22.004 ( -2.424 -4.286 -5.005) 7.021 22.177 ( 0.443 -3.068 -0.677) 3.172 22.214 ( -3.908 -2.767 1.032) 4.899 22.496 ( 4.469 0.179 2.946) 5.356 22.549 ( 1.334 0.116 1.845) 2.280 22.662 ( 0.460 3.038 2.037) 3.687 22.799 ( -4.487 3.758 -0.787) 5.906 22.973 ( 2.354 0.105 2.442) 3.393 23.125 ( -2.357 -0.842 -5.617) 6.149 23.633 ( 0.756 -1.081 1.299) 1.851 23.654 ( 1.031 -1.173 -0.325) 1.595 23.904 ( 1.839 -1.405 8.927) 9.222 24.043 ( -4.071 -1.789 1.436) 4.673 24.487 ( -1.048 2.888 8.907) 9.422 24.821 ( 3.635 -1.064 -18.957) 19.331 25.292 ( 1.928 -8.626 15.706) 18.022 25.603 ( 4.008 1.063 -7.085) 8.209 25.948 ( -3.202 -5.014 4.671) 7.564 26.141 ( 1.383 -2.487 -11.597) 11.941 27.215 ( 6.829 -5.631 0.753) 8.884 27.373 ( -2.632 4.656 4.032) 6.698 27.576 ( -6.692 -9.298 0.187) 11.457 27.733 ( 3.616 -0.393 -9.631) 10.295 27.974 ( 12.498 3.729 1.016) 13.082 28.169 ( -3.392 2.979 -4.247) 6.198 28.481 ( 15.146 -0.869 6.331) 16.439 28.759 ( 1.790 -9.078 -2.067) 9.481 28.788 ( -5.843 -0.618 0.149) 5.878 28.851 ( -5.795 0.719 -6.471) 8.716 29.586 ( -2.982 -1.532 3.680) 4.978 29.729 ( -4.115 -1.941 -5.329) 7.007 30.022 ( -4.672 -3.336 3.218) 6.581 30.079 ( -3.256 -1.163 -2.403) 4.211 30.416 ( 3.404 3.970 5.373) 7.498 30.625 ( -7.081 4.635 -4.173) 9.436 31.297 ( 15.591 2.789 4.856) 16.566 31.415 ( 0.546 8.673 -0.654) 8.715 31.459 ( 0.067 7.130 5.597) 9.065 31.883 ( -13.337 11.245 -3.389) 17.772 32.816 ( 1.029 7.807 1.908) 8.102 33.004 ( -7.389 7.079 -4.382) 11.131 33.530 ( 0.022 -1.336 9.710) 9.801 33.743 ( 3.192 -0.320 -11.141) 11.594 34.629 ( -4.592 1.092 11.468) 12.402 34.823 ( 2.267 1.883 -7.764) 8.304 35.113 ( 2.835 3.241 9.799) 10.703 35.380 ( -0.234 2.384 -7.849) 8.206 36.794 ( 1.312 3.227 5.115) 6.188 36.927 ( 0.694 5.152 -5.397) 7.494 37.867 ( 3.535 -1.422 5.938) 7.055 37.949 ( -3.213 -1.899 3.959) 5.441 37.991 ( 0.242 -3.335 -3.224) 4.644 38.132 ( -4.443 -0.269 -4.978) 6.678 38.342 ( 2.739 2.862 6.867) 7.928 38.542 ( 1.174 2.544 -7.260) 7.782 38.841 ( -2.421 -2.418 4.965) 6.030 38.932 ( 1.349 -1.330 -5.141) 5.479 39.423 ( 0.614 -4.350 1.224) 4.560 39.476 ( -1.718 -2.882 -1.447) 3.654 49.178 ( -1.243 -2.770 2.302) 3.810 49.213 ( 1.050 -2.670 -2.360) 3.715 49.552 ( 0.359 2.230 1.589) 2.761 49.587 ( 0.246 1.685 -1.169) 2.065 86.551 ( 1.588 2.105 0.632) 2.712 86.607 ( -0.816 2.662 -1.893) 3.367 87.475 ( 6.896 -6.216 15.469) 18.042 87.879 ( 11.297 -13.564 -18.252) 25.392 89.314 ( 0.178 -1.464 -0.051) 1.476 89.396 ( -4.710 -2.662 -3.280) 6.327 89.579 ( -0.004 -0.826 1.186) 1.445 89.634 ( -2.838 -0.845 -0.872) 3.087 90.218 ( -4.458 -5.100 15.289) 16.722 90.617 ( -2.771 -1.932 -15.196) 15.567 90.970 ( 0.307 -11.081 8.073) 13.714 91.197 ( 4.463 -7.390 -13.365) 15.911 92.148 ( -7.285 5.801 4.222) 10.225 92.239 ( 1.557 5.526 -10.374) 11.856 92.901 ( 3.543 -2.972 16.672) 17.302 93.231 ( 1.019 -2.650 -8.441) 8.906 95.546 ( -1.600 5.906 14.029) 15.305 95.774 ( 0.697 5.485 -5.071) 7.502 96.146 ( -0.375 -4.657 3.401) 5.778 96.328 ( -1.781 -0.628 -10.296) 10.468 96.661 ( -4.093 3.215 6.635) 8.432 96.759 ( 1.638 4.026 -5.723) 7.187 97.382 ( -4.491 10.969 18.518) 21.986 97.704 ( 5.468 15.602 -16.622) 23.444 ======================= Grid point 210 (109/125) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -26.395 7.606 9.835) 29.177 2.764 ( -6.955 7.669 15.542) 18.675 3.051 ( 5.369 4.893 -5.496) 9.109 3.333 ( 14.464 -0.579 -17.529) 22.734 3.600 ( 1.336 1.268 10.336) 10.499 3.639 ( -0.855 -0.126 0.110) 0.872 4.066 ( -6.570 -14.979 5.036) 17.115 4.198 ( 4.656 -6.938 2.565) 8.740 4.412 ( -6.112 8.031 0.846) 10.128 4.492 ( -0.767 5.893 -2.417) 6.415 4.745 ( -2.058 -1.677 7.703) 8.148 4.843 ( -3.666 -0.081 -0.854) 3.765 5.011 ( -0.683 5.511 -5.834) 8.054 5.107 ( 7.751 -0.034 0.622) 7.776 5.232 ( -2.377 7.068 4.945) 8.948 5.352 ( -7.968 0.997 11.265) 13.834 5.435 ( -5.727 -2.900 8.198) 10.412 5.470 ( 3.753 -3.260 -11.275) 12.322 5.680 ( 2.850 9.139 -6.969) 11.841 5.748 ( 4.598 2.498 3.154) 6.110 5.810 ( -0.960 -2.532 -8.969) 9.369 5.869 ( 1.719 3.177 -1.723) 4.002 6.274 ( 4.906 5.014 4.124) 8.137 6.398 ( 2.873 1.529 -11.961) 12.396 6.548 ( -1.617 1.642 5.454) 5.921 6.693 ( 1.210 0.355 -8.840) 8.929 6.891 ( -1.855 -2.234 8.512) 8.994 6.973 ( -4.414 -1.727 -3.960) 6.177 7.151 ( 0.527 -5.577 4.053) 6.914 7.264 ( 1.856 -8.248 -4.861) 9.752 7.795 ( -19.273 -4.590 1.118) 19.843 7.947 ( -4.866 -16.176 11.067) 20.195 8.101 ( -3.517 -10.537 -6.320) 12.780 8.159 ( 7.478 0.228 -2.820) 7.995 8.309 ( 1.941 0.549 8.217) 8.461 8.507 ( 11.359 -1.757 -11.469) 16.237 8.787 ( -7.401 -8.394 -4.074) 11.909 9.014 ( 18.770 -5.334 0.648) 19.524 9.212 ( -4.034 5.804 2.390) 7.461 9.427 ( 13.042 4.148 -3.080) 14.028 10.304 ( -2.403 14.321 9.048) 17.109 10.467 ( 1.191 14.629 -7.571) 16.514 11.929 ( -6.291 2.450 -0.726) 6.790 12.067 ( 9.001 2.988 0.714) 9.511 12.602 ( -3.532 5.649 0.536) 6.684 12.637 ( -1.218 5.392 -1.231) 5.663 12.832 ( 0.519 4.689 2.625) 5.399 12.884 ( 1.415 2.651 -1.914) 3.563 13.396 ( -3.707 -3.254 5.175) 7.149 13.556 ( 5.188 -3.397 -5.269) 8.138 15.599 ( -1.412 0.177 1.450) 2.032 15.664 ( 1.788 -0.629 -3.372) 3.869 15.782 ( -3.740 -3.087 0.647) 4.892 15.851 ( 1.872 -1.913 -1.522) 3.079 16.260 ( -2.590 -0.781 3.129) 4.136 16.309 ( 0.887 0.246 0.816) 1.230 16.408 ( -3.554 -3.250 1.103) 4.941 16.557 ( 6.563 -5.253 -4.887) 9.724 16.735 ( -0.332 -4.934 6.366) 8.061 16.826 ( -0.735 -1.672 -6.637) 6.884 17.228 ( 1.936 1.576 5.962) 6.464 17.279 ( -2.293 1.302 -6.360) 6.885 21.908 ( 1.570 -3.817 3.902) 5.680 21.941 ( -1.348 -4.447 -2.827) 5.439 22.119 ( -3.533 -3.687 3.291) 6.075 22.267 ( 6.235 -2.350 -2.683) 7.183 22.516 ( -3.823 -0.148 1.000) 3.954 22.564 ( -0.561 0.027 0.872) 1.038 22.665 ( -3.169 2.036 2.290) 4.408 22.775 ( 4.701 6.771 0.327) 8.249 23.040 ( 2.195 0.394 2.633) 3.451 23.049 ( -1.978 -2.368 -4.763) 5.675 23.590 ( -4.105 -1.882 2.927) 5.381 23.709 ( 3.532 -0.038 -3.169) 4.746 23.966 ( -4.031 -1.403 1.606) 4.561 23.980 ( 0.778 -1.393 9.059) 9.198 24.518 ( -0.252 1.840 8.615) 8.812 24.796 ( 3.571 -0.122 -19.672) 19.993 25.384 ( -0.713 -6.100 14.274) 15.539 25.584 ( -0.903 -2.170 -13.139) 13.348 25.913 ( -3.155 -5.611 8.764) 10.874 26.122 ( 2.149 -1.936 -9.757) 10.177 27.211 ( -10.000 -3.071 0.195) 10.463 27.389 ( 3.665 0.892 1.962) 4.251 27.510 ( 0.060 -9.709 8.076) 12.629 27.744 ( 2.692 -0.229 -11.447) 11.762 28.016 ( -10.037 4.248 -3.212) 11.362 28.160 ( 4.660 2.911 -2.255) 5.939 28.589 ( -11.707 -5.069 -3.030) 13.112 28.641 ( -8.800 3.250 3.976) 10.189 28.755 ( 9.423 -7.819 3.728) 12.799 28.906 ( 9.245 1.296 -7.937) 12.253 29.612 ( 2.343 -6.446 5.727) 8.935 29.663 ( 0.836 2.829 -3.742) 4.765 29.962 ( -2.448 -2.168 6.104) 6.925 30.108 ( 6.146 -1.740 -2.399) 6.823 30.488 ( -0.949 4.243 3.728) 5.727 30.529 ( 0.564 5.896 -0.038) 5.923 31.299 ( -6.765 3.437 0.893) 7.641 31.494 ( 2.165 6.244 -6.634) 9.364 31.609 ( -6.570 7.546 -7.506) 12.508 31.728 ( 15.383 9.928 12.202) 22.002 32.863 ( -4.516 7.145 -2.337) 8.770 32.916 ( 6.192 8.474 4.259) 11.326 33.549 ( -2.274 0.147 7.910) 8.232 33.747 ( 2.808 -2.020 -11.631) 12.134 34.618 ( -2.540 -0.628 11.869) 12.154 34.840 ( 4.063 3.543 -9.609) 11.018 35.175 ( -2.204 3.752 9.741) 10.669 35.334 ( 0.295 2.512 -8.556) 8.922 36.788 ( -4.440 2.697 5.823) 7.803 36.926 ( 1.789 4.601 -5.550) 7.428 37.872 ( -2.613 -2.373 6.634) 7.515 37.979 ( -1.548 -0.321 -1.009) 1.876 38.001 ( 0.853 -2.130 -0.842) 2.444 38.065 ( 3.151 -0.622 -0.877) 3.329 38.400 ( -0.637 2.271 6.409) 6.829 38.484 ( -2.657 3.530 -6.049) 7.491 38.790 ( -3.136 -3.401 3.759) 5.960 39.011 ( 7.803 -1.570 -7.456) 10.907 39.433 ( -0.211 -2.756 0.772) 2.870 39.465 ( 1.461 -4.003 -0.919) 4.360 49.169 ( -0.812 -2.706 2.143) 3.546 49.225 ( 1.408 -2.802 -2.500) 4.010 49.552 ( -1.106 1.759 1.518) 2.573 49.590 ( 0.632 2.003 -1.352) 2.498 86.568 ( -1.091 2.307 -0.417) 2.586 86.587 ( 0.580 2.616 -0.542) 2.734 87.554 ( -6.574 -7.418 15.294) 18.226 87.830 ( -6.979 -14.357 -21.624) 26.878 89.316 ( -1.757 -1.392 -0.352) 2.269 89.351 ( 3.253 -1.891 1.469) 4.039 89.591 ( -1.382 -1.687 0.232) 2.193 89.608 ( 1.989 -0.013 1.907) 2.756 90.253 ( -0.883 -3.500 18.122) 18.478 90.540 ( 2.663 -2.172 -14.815) 15.208 90.957 ( -5.085 -10.800 7.445) 14.069 91.235 ( 6.059 -7.449 -14.201) 17.142 92.042 ( -5.945 4.541 7.818) 10.821 92.289 ( 7.447 6.349 -8.372) 12.879 93.021 ( 1.674 -3.780 13.252) 13.882 93.181 ( -1.194 -1.920 -12.182) 12.391 95.587 ( -1.321 6.563 13.673) 15.225 95.758 ( 0.679 5.816 -6.623) 8.840 96.165 ( 0.007 -4.543 5.925) 7.466 96.242 ( -2.403 -0.200 -6.522) 6.953 96.635 ( -1.534 0.990 5.514) 5.809 96.801 ( 5.232 4.837 -6.611) 9.720 97.369 ( -6.075 10.013 17.218) 20.824 97.752 ( 8.610 16.850 -18.493) 26.458 ======================= Grid point 211 (110/125) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -25.365 15.188 16.938) 34.073 2.716 ( -6.318 9.841 18.183) 21.619 3.006 ( -6.028 5.773 -7.944) 11.523 3.450 ( 3.509 5.242 -16.406) 17.577 3.626 ( 3.241 -4.602 4.445) 7.172 3.686 ( 0.117 5.598 4.806) 7.379 4.079 ( 4.270 -13.489 8.480) 16.495 4.240 ( -3.128 -6.336 -0.325) 7.073 4.305 ( -2.836 3.806 3.636) 5.979 4.502 ( 1.035 3.897 5.313) 6.670 4.737 ( -4.560 -6.892 3.157) 8.846 4.744 ( -2.529 5.101 -2.859) 6.371 4.980 ( -0.062 2.906 -6.709) 7.312 5.124 ( -5.116 0.392 -1.001) 5.228 5.184 ( -10.868 0.033 8.090) 13.549 5.249 ( 1.177 5.192 -3.976) 6.644 5.373 ( -2.965 -4.153 7.880) 9.388 5.434 ( -0.475 -3.495 -13.179) 13.643 5.637 ( -5.009 -2.971 -5.034) 7.698 5.805 ( 6.535 0.033 -4.051) 7.689 5.895 ( 0.901 4.798 3.275) 5.879 5.965 ( 11.201 6.631 0.544) 13.028 6.342 ( -2.567 5.528 -7.924) 9.997 6.386 ( 4.444 -0.289 -2.388) 5.053 6.561 ( 2.009 -3.618 1.578) 4.429 6.671 ( -0.412 -0.601 -2.058) 2.183 6.860 ( -4.153 -10.817 7.384) 13.740 6.880 ( -3.047 -0.395 -2.199) 3.779 7.161 ( -1.407 1.774 -0.044) 2.265 7.277 ( -4.210 -1.404 -3.724) 5.793 7.590 ( -0.750 -3.542 4.512) 5.785 7.767 ( -11.758 -15.258 3.392) 19.559 7.930 ( -7.701 -3.902 -8.655) 12.225 8.227 ( 1.071 4.538 -0.083) 4.664 8.373 ( -0.472 0.440 7.973) 7.999 8.676 ( -4.386 -11.432 -3.277) 12.675 8.827 ( 22.640 -2.959 -6.021) 23.613 9.232 ( 5.509 6.717 -1.339) 8.790 9.392 ( 18.812 -5.995 4.219) 20.190 9.691 ( 16.366 4.869 -3.969) 17.530 10.317 ( -0.895 13.948 8.295) 16.253 10.453 ( -0.073 11.859 -4.132) 12.558 11.858 ( -0.064 2.406 -1.395) 2.782 12.242 ( 8.350 1.210 1.903) 8.649 12.483 ( -7.383 4.675 -1.914) 8.946 12.602 ( -3.182 5.870 1.604) 6.867 12.872 ( 1.989 2.200 1.354) 3.260 12.902 ( 0.787 3.164 -0.568) 3.310 13.369 ( -1.072 -3.522 4.769) 6.025 13.629 ( 4.651 -1.127 -5.299) 7.140 15.573 ( -1.930 0.216 0.876) 2.130 15.662 ( -2.106 -0.984 -1.733) 2.900 15.726 ( -0.606 -3.039 -0.577) 3.152 15.860 ( -0.062 -1.344 -1.617) 2.104 16.205 ( -3.822 -2.750 2.572) 5.365 16.341 ( 0.243 2.457 -0.982) 2.657 16.365 ( -0.122 -2.669 1.757) 3.197 16.660 ( 6.363 -4.952 -3.806) 8.917 16.733 ( -1.246 -3.034 0.041) 3.280 16.795 ( -1.626 -4.748 -0.090) 5.020 17.204 ( -0.916 1.753 -4.359) 4.787 17.292 ( 0.771 1.281 4.315) 4.567 21.910 ( 0.046 -3.587 -0.747) 3.664 21.956 ( 0.357 -4.866 3.779) 6.171 22.140 ( 4.121 -3.916 3.742) 6.806 22.342 ( 0.767 1.957 -1.759) 2.741 22.444 ( -4.015 -1.244 -0.554) 4.240 22.509 ( -0.644 -0.544 -0.777) 1.146 22.658 ( -0.169 -1.254 1.759) 2.167 22.861 ( 2.242 7.608 2.105) 8.206 22.984 ( -1.101 -3.503 -4.882) 6.109 23.096 ( 0.981 -0.405 3.279) 3.446 23.546 ( -1.831 -2.271 2.748) 4.008 23.723 ( -0.363 1.408 -4.375) 4.610 23.908 ( -1.765 -0.503 0.466) 1.894 24.023 ( -1.658 -0.765 10.211) 10.373 24.552 ( -0.067 0.206 7.155) 7.159 24.778 ( 4.473 -0.267 -18.966) 19.489 25.364 ( -7.056 -4.040 7.990) 11.399 25.484 ( -2.067 -4.794 -13.103) 14.105 25.923 ( -1.469 -5.274 11.401) 12.648 26.120 ( 1.670 -1.072 -7.473) 7.732 27.042 ( -7.558 -1.468 4.026) 8.689 27.385 ( -3.535 3.980 6.070) 8.074 27.597 ( 1.002 -11.216 -0.482) 11.271 27.715 ( -1.220 -2.367 -6.587) 7.105 27.791 ( -10.400 2.106 -4.079) 11.368 28.136 ( -3.419 1.854 -0.115) 3.890 28.416 ( -3.967 4.062 -10.787) 12.190 28.511 ( -7.512 -4.255 6.546) 10.835 28.828 ( -0.120 -9.604 2.663) 9.967 29.077 ( 10.565 -4.405 -6.906) 13.368 29.716 ( 3.618 -1.975 6.162) 7.413 29.728 ( 7.823 5.533 0.650) 9.604 29.996 ( 2.221 0.603 7.220) 7.578 30.242 ( 8.279 -0.763 -1.152) 8.394 30.427 ( -2.840 2.625 -3.551) 5.250 30.608 ( 2.059 8.970 8.220) 12.340 31.176 ( -5.736 -1.621 -7.026) 9.214 31.319 ( -6.556 11.009 -2.228) 13.006 31.687 ( 8.694 6.763 -7.064) 13.085 32.009 ( 7.930 9.570 8.041) 14.803 32.820 ( 1.352 4.029 2.058) 4.722 33.084 ( 8.780 9.508 5.054) 13.894 33.527 ( -3.683 0.292 6.723) 7.671 33.733 ( 1.749 -2.860 -12.730) 13.164 34.641 ( -0.858 -2.387 10.870) 11.162 34.885 ( 5.377 5.052 -9.106) 11.720 35.128 ( -4.385 0.582 1.984) 4.848 35.303 ( -2.149 2.230 -2.608) 4.049 36.729 ( -4.056 4.816 6.018) 8.710 36.914 ( -0.591 6.586 -4.891) 8.225 37.854 ( -2.438 -0.722 0.298) 2.560 37.908 ( -2.898 -2.162 4.786) 5.999 38.060 ( 2.583 -2.948 2.097) 4.445 38.112 ( 0.830 -0.455 -0.247) 0.978 38.340 ( -3.995 4.171 0.579) 5.804 38.482 ( 2.605 1.790 -3.711) 4.874 38.776 ( 0.401 -4.960 1.712) 5.263 39.099 ( 4.341 -3.174 -5.682) 7.824 39.446 ( 2.217 -0.894 -1.631) 2.894 39.500 ( 2.035 -2.096 0.572) 2.977 49.170 ( -0.167 -2.557 1.971) 3.233 49.238 ( 1.188 -2.899 -2.469) 3.989 49.535 ( -1.012 1.884 0.744) 2.264 49.589 ( -0.337 1.633 -0.877) 1.884 86.543 ( -0.335 1.995 -1.371) 2.444 86.598 ( 0.224 2.633 0.854) 2.777 87.390 ( -16.621 -6.582 7.870) 19.532 87.483 ( -18.359 -9.336 -13.265) 24.498 89.330 ( 2.348 -1.522 0.609) 2.863 89.421 ( 2.584 -2.490 2.255) 4.238 89.594 ( 1.443 -2.351 1.213) 3.013 89.656 ( 1.875 0.538 2.076) 2.849 90.326 ( 0.561 -4.121 13.749) 14.364 90.592 ( 7.806 -4.171 -6.213) 10.814 90.874 ( -6.913 -9.880 6.274) 13.593 91.267 ( 4.532 -5.847 -14.808) 16.554 92.017 ( -1.216 3.249 9.873) 10.465 92.411 ( 8.713 6.218 -5.414) 11.996 93.075 ( -1.854 -3.873 8.525) 9.545 93.084 ( -1.871 -2.702 -14.516) 14.884 95.611 ( -2.598 6.421 11.558) 13.475 95.742 ( 1.120 6.472 -7.633) 10.070 96.183 ( -1.067 -3.871 3.247) 5.165 96.211 ( 0.640 -1.734 2.136) 2.825 96.664 ( 2.014 -0.381 5.223) 5.610 96.872 ( 5.445 5.243 -5.966) 9.629 97.323 ( -7.027 10.046 16.151) 20.277 97.835 ( 9.977 17.841 -22.367) 30.300 ======================= Grid point 212 (111/125) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -8.261 21.595 23.986) 33.315 2.647 ( -9.320 10.169 0.659) 13.809 2.865 ( -4.661 15.320 7.144) 17.535 3.369 ( -2.166 5.899 -14.062) 15.402 3.653 ( -3.689 0.978 11.659) 12.268 3.729 ( 1.873 1.462 -1.915) 3.052 4.157 ( 1.468 -8.404 4.868) 9.823 4.230 ( 1.070 0.004 6.799) 6.882 4.360 ( 5.463 -6.849 2.565) 9.129 4.479 ( -8.039 -2.656 -1.580) 8.613 4.644 ( -0.337 -1.071 0.040) 1.123 4.729 ( -0.269 2.726 -1.222) 3.000 4.940 ( -2.972 0.261 -5.057) 5.872 4.965 ( -9.621 -0.065 6.821) 11.794 5.078 ( -1.712 -0.673 2.246) 2.903 5.270 ( 1.405 3.598 -4.716) 6.097 5.361 ( -1.426 -4.446 -11.020) 11.968 5.424 ( 3.716 -6.311 7.905) 10.777 5.509 ( -2.967 0.860 -12.736) 13.106 5.793 ( -4.291 -2.995 -2.224) 5.686 6.016 ( 7.768 -2.138 1.833) 8.263 6.092 ( 2.686 0.801 0.170) 2.808 6.269 ( -0.188 1.580 -5.343) 5.575 6.408 ( -2.862 -2.772 -2.796) 4.868 6.642 ( 2.194 1.970 13.127) 13.454 6.657 ( 1.738 -5.438 -4.132) 7.047 6.795 ( -2.432 -6.628 -1.219) 7.165 6.874 ( -1.666 -3.392 0.740) 3.851 7.128 ( -3.969 1.971 -9.852) 10.802 7.134 ( 0.358 2.975 4.148) 5.117 7.511 ( -8.274 -0.691 3.330) 8.946 7.755 ( -4.556 3.753 -8.465) 10.320 7.865 ( 11.268 -13.091 7.946) 19.013 8.257 ( 2.912 4.878 -0.272) 5.688 8.350 ( -4.366 -0.512 3.053) 5.352 8.546 ( -8.587 -9.513 -2.436) 13.044 9.170 ( 15.292 -0.454 -2.737) 15.541 9.342 ( 5.646 5.004 -3.333) 8.248 9.720 ( 14.699 -2.467 3.744) 15.368 9.935 ( 10.190 4.559 -3.226) 11.620 10.337 ( -0.747 12.386 5.703) 13.656 10.422 ( -1.080 8.488 -2.767) 8.993 11.923 ( 7.408 1.315 -1.112) 7.606 12.282 ( -8.763 -3.275 -0.018) 9.355 12.412 ( 4.011 7.964 1.287) 9.010 12.552 ( -2.674 5.063 0.807) 5.782 12.896 ( 0.493 -1.154 -0.119) 1.260 12.906 ( -0.252 2.235 0.285) 2.267 13.407 ( 1.897 -0.825 6.719) 7.030 13.662 ( 1.754 0.172 -6.857) 7.080 15.542 ( -1.569 -0.438 0.599) 1.736 15.591 ( -3.610 -1.747 -0.491) 4.041 15.750 ( 2.715 -1.718 -1.539) 3.563 15.838 ( -1.439 -1.163 -1.348) 2.289 16.161 ( -2.311 -2.049 4.128) 5.156 16.310 ( -0.630 2.496 -5.411) 5.992 16.412 ( 2.475 -2.777 4.179) 5.595 16.691 ( -3.029 -1.901 -5.613) 6.656 16.728 ( -0.397 -2.732 2.768) 3.909 16.769 ( 2.124 -7.294 -1.978) 7.850 17.212 ( 3.056 1.523 -1.600) 3.770 17.300 ( -1.617 1.154 2.615) 3.284 21.920 ( 0.154 -4.372 3.517) 5.613 21.989 ( 2.335 -3.828 0.041) 4.484 22.231 ( 1.241 -3.564 0.187) 3.779 22.320 ( -1.743 2.249 1.637) 3.283 22.363 ( -0.794 0.509 0.961) 1.346 22.555 ( 3.398 -2.658 -3.153) 5.344 22.659 ( -0.744 -1.811 3.606) 4.103 22.854 ( -2.878 5.924 -1.024) 6.665 22.978 ( 2.750 -3.901 -1.962) 5.160 23.108 ( -1.528 -2.057 2.885) 3.859 23.542 ( -0.182 -1.752 2.068) 2.716 23.666 ( -2.767 1.595 -4.626) 5.621 23.914 ( 1.751 0.862 1.241) 2.312 24.007 ( -4.602 0.105 7.865) 9.113 24.576 ( -1.046 -0.402 6.530) 6.626 24.788 ( 5.875 -1.295 -18.013) 18.991 25.252 ( -7.192 -3.357 6.574) 10.306 25.397 ( -1.414 -4.644 -10.373) 11.452 25.942 ( -2.058 -4.871 9.985) 11.298 26.112 ( 1.262 -0.491 -6.936) 7.067 26.996 ( -1.518 0.616 11.267) 11.386 27.349 ( -1.796 1.986 0.860) 2.812 27.462 ( -8.985 -0.027 -6.041) 10.827 27.578 ( -8.273 -0.925 -7.964) 11.520 27.738 ( 1.530 -4.661 6.787) 8.375 28.164 ( 2.083 1.116 5.392) 5.887 28.263 ( -3.175 -1.446 -15.092) 15.489 28.455 ( -2.257 -6.796 0.858) 7.212 28.853 ( 1.251 -8.574 5.996) 10.537 29.171 ( 3.627 -10.597 -9.911) 14.956 29.807 ( 4.153 6.375 4.477) 8.828 29.894 ( 7.180 6.066 4.841) 10.573 30.073 ( 1.452 3.684 5.842) 7.058 30.296 ( -3.245 -0.233 -1.355) 3.524 30.437 ( 7.015 0.481 -4.200) 8.191 30.624 ( -4.205 8.361 5.815) 11.018 31.083 ( 0.309 2.269 -4.183) 4.769 31.269 ( -0.078 4.376 -1.960) 4.796 31.805 ( 7.295 10.425 -4.498) 13.495 32.062 ( -3.820 9.886 1.782) 10.747 32.939 ( 7.650 2.078 8.896) 11.916 33.256 ( 6.726 9.237 2.773) 11.758 33.473 ( -5.632 -1.067 6.901) 8.971 33.699 ( 1.860 -2.782 -14.785) 15.159 34.684 ( 0.190 -3.154 9.954) 10.443 34.927 ( 2.114 4.753 -7.461) 9.095 35.085 ( 0.198 -1.195 -0.039) 1.212 35.216 ( -5.464 -0.064 -1.509) 5.669 36.704 ( -2.310 7.282 7.347) 10.599 36.870 ( -0.814 10.160 -6.282) 11.973 37.819 ( 0.731 0.371 -3.187) 3.291 37.862 ( -8.082 -5.075 11.133) 14.664 38.075 ( 1.379 0.687 2.727) 3.132 38.170 ( 4.790 -2.122 -3.275) 6.179 38.304 ( -1.613 2.464 2.368) 3.779 38.477 ( -0.113 0.059 -9.593) 9.594 38.834 ( 4.388 -5.504 3.791) 7.995 39.105 ( -0.995 -4.462 -4.707) 6.562 39.497 ( 4.031 0.654 -2.954) 5.040 39.529 ( 0.252 0.151 0.818) 0.870 49.180 ( 0.309 -2.411 1.875) 3.070 49.242 ( 0.405 -2.859 -2.244) 3.657 49.528 ( -0.065 1.816 0.414) 1.864 49.569 ( -1.340 1.634 -0.601) 2.196 86.557 ( 2.571 2.159 -1.513) 3.683 86.610 ( 0.635 2.137 1.300) 2.581 87.070 ( -13.326 -3.891 -5.768) 15.033 87.151 ( -16.609 -4.354 4.767) 17.820 89.383 ( 2.896 -1.952 0.196) 3.498 89.451 ( -0.205 -2.462 1.222) 2.756 89.645 ( 3.037 -2.263 1.050) 3.930 89.686 ( 0.366 0.477 1.768) 1.868 90.407 ( 2.036 -6.537 10.990) 12.948 90.707 ( 4.511 -9.683 -8.797) 13.839 90.793 ( -4.315 -6.044 15.330) 17.034 91.265 ( 3.457 -3.537 -17.218) 17.914 92.084 ( 2.706 2.248 12.085) 12.586 92.517 ( 4.179 6.846 -6.209) 10.143 92.994 ( 0.413 -2.776 -12.102) 12.423 93.046 ( -4.693 -5.570 3.918) 8.270 95.600 ( -4.007 5.847 10.620) 12.768 95.731 ( 1.741 6.637 -7.646) 10.273 96.184 ( -0.758 -4.911 4.235) 6.529 96.241 ( 1.565 -2.623 0.758) 3.147 96.744 ( 3.129 0.544 6.484) 7.220 96.934 ( 3.474 4.675 -4.859) 7.585 97.283 ( -5.353 11.197 18.992) 22.688 97.880 ( 6.919 17.685 -27.957) 33.797 ======================= Grid point 213 (112/125) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 7.748 22.233 18.856) 30.164 2.763 ( -3.852 18.198 -13.081) 22.740 3.186 ( 3.967 8.991 5.244) 11.139 3.315 ( -1.644 -3.182 -6.945) 7.814 3.542 ( -3.070 -4.890 8.123) 9.966 3.739 ( 4.405 -4.700 -11.772) 13.419 4.121 ( -7.574 -4.971 1.551) 9.191 4.133 ( 4.051 -4.884 0.833) 6.400 4.336 ( -4.087 2.459 12.788) 13.649 4.401 ( 10.085 -6.279 7.726) 14.171 4.625 ( -5.392 0.486 -4.379) 6.963 4.758 ( -3.265 0.593 -9.666) 10.220 4.872 ( 0.213 3.805 3.671) 5.292 4.899 ( 2.759 1.918 3.170) 4.620 5.073 ( -7.695 -1.389 11.621) 14.007 5.217 ( -5.819 3.359 0.946) 6.785 5.370 ( 0.959 -4.638 4.002) 6.201 5.377 ( -0.223 2.606 -4.336) 5.064 5.495 ( 4.082 -3.039 -12.767) 13.744 5.640 ( 5.878 -0.396 -12.410) 13.737 5.983 ( -1.805 -5.547 4.706) 7.495 6.048 ( -1.521 -1.528 0.866) 2.323 6.233 ( -2.896 -3.097 0.398) 4.259 6.277 ( 1.336 -3.008 -2.624) 4.209 6.592 ( -7.344 -6.093 1.949) 9.740 6.635 ( 4.310 -0.423 -1.062) 4.459 6.680 ( -2.736 -3.450 5.105) 6.742 6.766 ( 4.665 -2.569 -3.259) 6.243 7.168 ( 1.002 3.611 6.981) 7.923 7.372 ( 3.511 10.487 -12.692) 16.834 7.526 ( 2.368 4.297 11.119) 12.153 7.709 ( -0.481 0.690 -6.759) 6.811 7.941 ( 9.665 -6.625 7.476) 13.899 8.082 ( -12.600 -8.144 -6.461) 16.335 8.337 ( -7.126 0.696 5.641) 9.115 8.426 ( 6.993 2.334 -3.358) 8.101 9.328 ( 4.190 -1.131 0.061) 4.340 9.379 ( -4.792 -0.134 -5.475) 7.277 9.961 ( -5.299 0.329 2.181) 5.740 9.996 ( 6.758 1.865 -1.718) 7.218 10.507 ( -3.320 6.859 4.427) 8.813 10.612 ( 5.735 7.436 -6.511) 11.427 12.065 ( -5.155 -1.215 0.691) 5.341 12.078 ( 4.135 -1.046 -0.673) 4.318 12.567 ( 2.331 2.698 2.370) 4.281 12.596 ( -1.482 3.367 -0.752) 3.754 12.871 ( 0.385 -1.135 2.123) 2.438 12.917 ( -1.159 1.255 -2.688) 3.185 13.505 ( 2.510 1.393 6.372) 6.989 13.627 ( -2.023 -0.406 -6.384) 6.709 15.509 ( -0.450 -0.734 1.191) 1.470 15.531 ( 0.547 -0.858 -0.967) 1.404 15.765 ( -2.546 -1.295 -0.840) 2.978 15.775 ( 2.849 -0.954 -1.986) 3.602 16.151 ( 0.420 -0.441 7.910) 7.934 16.310 ( -0.594 1.463 -7.914) 8.070 16.431 ( 2.068 -2.677 5.471) 6.432 16.534 ( -4.637 -1.324 -4.845) 6.836 16.633 ( -2.559 -3.376 5.273) 6.764 16.768 ( 5.275 -1.636 -7.653) 9.438 17.268 ( -3.770 1.189 2.602) 4.732 17.316 ( 4.508 0.683 -2.254) 5.087 21.871 ( -0.745 -2.421 6.024) 6.535 21.971 ( 2.301 -2.033 -4.031) 5.067 22.200 ( 0.934 -1.531 2.434) 3.023 22.250 ( -2.134 -0.086 -2.683) 3.430 22.421 ( -1.080 -1.210 4.563) 4.843 22.509 ( -0.372 -1.507 -4.630) 4.884 22.703 ( 4.943 0.524 7.583) 9.067 22.830 ( -5.834 2.158 -5.090) 8.038 23.000 ( -2.623 -1.481 1.650) 3.434 23.018 ( 4.605 -1.973 -0.140) 5.012 23.545 ( 1.470 -0.196 2.569) 2.966 23.604 ( -3.756 -0.029 -2.565) 4.549 23.947 ( -5.013 0.888 6.235) 8.050 24.008 ( 3.457 0.575 0.917) 3.622 24.583 ( -1.098 1.205 4.283) 4.582 24.777 ( 4.012 -1.690 -14.725) 15.355 25.084 ( -8.270 -4.407 9.704) 13.490 25.292 ( 7.008 -3.425 -11.863) 14.198 25.883 ( -2.412 -2.102 11.618) 12.051 26.106 ( 2.959 -0.027 -10.149) 10.571 27.119 ( 3.613 2.633 13.801) 14.507 27.325 ( -5.019 2.598 -4.391) 7.156 27.397 ( 3.758 2.159 0.025) 4.334 27.465 ( -2.197 0.665 -9.277) 9.557 27.753 ( 7.114 -6.190 7.940) 12.327 27.899 ( -7.122 -9.187 -5.791) 12.987 28.352 ( -1.821 0.864 0.830) 2.180 28.377 ( 3.247 5.424 -2.197) 6.693 28.795 ( 2.881 -4.407 -1.347) 5.435 28.892 ( -1.117 -10.624 -9.831) 14.517 29.960 ( 5.438 -2.976 15.996) 17.155 30.150 ( -6.621 4.616 -1.946) 8.303 30.178 ( -5.727 6.129 0.262) 8.392 30.222 ( 3.142 3.077 -1.068) 4.526 30.585 ( 4.939 3.356 -1.523) 6.163 30.628 ( -2.301 2.253 -4.677) 5.678 31.189 ( 4.434 1.847 3.174) 5.758 31.260 ( -4.902 0.778 -3.602) 6.133 32.121 ( -9.805 7.753 5.316) 13.584 32.171 ( 8.946 10.929 -1.207) 14.175 33.119 ( 4.963 -2.124 12.621) 13.727 33.326 ( -7.492 1.464 -7.537) 10.728 33.482 ( -2.487 2.937 3.836) 5.434 33.620 ( 6.660 -3.449 -10.379) 12.806 34.694 ( 1.288 -1.698 12.739) 12.916 34.906 ( -2.398 0.249 -9.205) 9.515 35.043 ( -8.656 0.331 6.886) 11.066 35.186 ( 8.161 -0.860 -8.189) 11.593 36.856 ( -2.520 7.145 11.912) 14.117 37.059 ( 2.665 8.555 -8.698) 12.488 37.670 ( -5.934 -4.400 11.124) 13.354 37.838 ( 4.550 -2.633 -5.925) 7.921 38.125 ( 1.648 -0.791 3.708) 4.134 38.179 ( 1.106 -0.999 -1.025) 1.809 38.302 ( -5.475 1.574 1.724) 5.952 38.428 ( 2.984 0.606 -10.436) 10.871 38.838 ( 3.777 -4.583 5.429) 8.046 38.951 ( -2.598 -3.583 -6.298) 7.697 39.530 ( -3.088 1.037 0.639) 3.320 39.560 ( 2.467 0.395 -2.394) 3.460 49.156 ( 0.079 -1.407 1.715) 2.220 49.191 ( -0.123 -1.475 -1.944) 2.443 49.559 ( 0.004 1.033 1.105) 1.513 49.578 ( -0.098 1.040 -0.893) 1.375 86.628 ( -3.507 1.854 2.339) 4.605 86.677 ( 4.179 2.693 -2.780) 5.696 86.879 ( -5.596 -2.178 2.461) 6.490 86.928 ( 5.913 -3.567 -2.566) 7.367 89.389 ( -1.425 -1.338 0.487) 2.015 89.401 ( 1.856 -1.536 -0.608) 2.485 89.669 ( 1.999 -1.011 1.380) 2.631 89.679 ( -1.181 -0.556 0.219) 1.324 90.302 ( -5.373 -6.395 12.390) 14.942 90.557 ( 5.539 -3.864 -12.887) 14.550 90.741 ( -4.459 -4.176 20.625) 21.510 91.195 ( 5.446 -2.123 -24.378) 25.069 92.263 ( 3.933 2.027 17.139) 17.701 92.590 ( -2.201 4.277 -15.862) 16.576 92.857 ( -8.639 -2.077 5.039) 10.215 92.978 ( 6.805 -1.948 -7.603) 10.388 95.679 ( -5.832 5.447 14.317) 16.391 95.863 ( 1.322 6.067 -4.299) 7.552 96.065 ( -2.054 -5.754 4.258) 7.447 96.211 ( 5.396 -3.869 -11.194) 13.015 96.855 ( -0.560 2.368 11.450) 11.706 97.027 ( 0.748 3.697 -6.462) 7.482 97.496 ( -3.922 6.472 27.824) 28.834 98.074 ( 3.140 8.212 -32.320) 33.494 ======================= Grid point 214 (113/125) ======================= q-point: ( 0.14 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 3.217 18.813 -14.148) 23.758 2.702 ( 9.275 15.279 9.950) 20.457 3.215 ( -3.086 -2.690 -7.700) 8.721 3.259 ( 1.948 10.319 5.484) 11.847 3.615 ( 3.463 -3.303 3.696) 6.047 3.716 ( -6.441 -5.345 -6.633) 10.679 3.956 ( -0.938 -10.624 -1.711) 10.802 4.245 ( -7.186 -1.464 2.634) 7.792 4.370 ( 11.617 -0.908 1.607) 11.763 4.545 ( -0.148 1.895 12.963) 13.102 4.623 ( 6.261 0.049 -2.445) 6.722 4.704 ( 3.853 -2.161 -0.556) 4.453 4.890 ( -4.779 4.419 5.029) 8.225 4.975 ( -1.737 -1.030 4.436) 4.874 4.977 ( 3.768 0.796 0.419) 3.873 5.189 ( 0.541 4.173 8.244) 9.256 5.300 ( -4.694 -0.913 8.825) 10.037 5.464 ( 7.376 -2.607 -13.714) 15.789 5.553 ( 7.204 1.375 -7.428) 10.438 5.707 ( 5.304 -2.367 -9.279) 10.947 5.993 ( -0.690 -2.516 8.041) 8.454 6.037 ( 0.065 -1.989 -0.295) 2.012 6.181 ( -2.580 0.931 6.000) 6.597 6.314 ( 3.174 -5.549 -3.676) 7.374 6.493 ( -3.207 -6.381 0.845) 7.191 6.627 ( -2.503 -2.953 1.497) 4.150 6.737 ( 3.419 1.146 5.742) 6.780 6.899 ( 10.063 -5.332 -3.542) 11.927 7.194 ( -1.286 6.579 -2.909) 7.307 7.346 ( -0.555 8.830 -4.657) 9.998 7.586 ( 0.325 2.738 -1.558) 3.167 7.692 ( 2.996 1.772 -1.529) 3.802 7.804 ( -12.274 -10.914 -6.666) 17.725 8.147 ( 5.472 -6.868 8.926) 12.522 8.248 ( -3.559 -0.517 7.036) 7.902 8.539 ( 6.369 2.176 -4.599) 8.152 9.133 ( -17.611 -0.742 -3.790) 18.029 9.340 ( -3.943 -1.395 1.065) 4.316 9.749 ( -14.087 2.442 -0.651) 14.312 9.982 ( -9.811 0.162 -1.014) 9.865 10.505 ( 0.992 5.736 3.577) 6.832 10.688 ( 5.360 7.766 -8.567) 12.745 11.951 ( -4.776 3.899 0.892) 6.230 12.175 ( 3.677 -6.259 0.286) 7.265 12.578 ( 0.491 5.763 -1.174) 5.901 12.651 ( 5.138 3.323 0.621) 6.151 12.889 ( -0.348 0.431 -1.416) 1.521 12.898 ( 1.160 -0.602 2.502) 2.823 13.495 ( -5.411 1.172 -1.580) 5.757 13.581 ( -0.684 -0.859 0.697) 1.301 15.534 ( 2.465 -0.357 0.721) 2.593 15.567 ( 3.419 -0.990 -0.610) 3.611 15.710 ( -2.295 -1.541 -0.975) 2.931 15.813 ( 1.636 -0.701 -1.367) 2.244 16.202 ( 0.960 0.804 7.502) 7.606 16.278 ( 1.008 -0.163 -6.748) 6.825 16.423 ( -4.557 -1.745 0.194) 4.883 16.489 ( -0.087 -4.929 3.474) 6.031 16.613 ( -1.429 -1.269 3.778) 4.234 16.819 ( 4.458 -1.341 -8.972) 10.108 17.200 ( -4.050 1.147 2.136) 4.720 17.384 ( 3.581 0.822 -3.271) 4.920 21.861 ( -2.728 -1.829 3.986) 5.165 21.975 ( 0.871 -2.586 -5.765) 6.378 22.211 ( 0.169 0.515 -0.481) 0.724 22.277 ( 3.347 -2.536 2.218) 4.749 22.379 ( -4.878 -0.750 3.541) 6.074 22.472 ( -1.206 -1.043 -0.908) 1.834 22.725 ( -2.704 0.343 -4.125) 4.944 22.817 ( 0.484 -0.414 6.065) 6.099 22.937 ( 0.884 0.300 0.660) 1.144 23.144 ( 5.753 -0.612 -2.487) 6.297 23.547 ( -0.845 -1.092 -0.550) 1.486 23.593 ( 1.539 0.774 4.424) 4.747 23.877 ( -4.973 0.241 5.579) 7.478 24.065 ( 1.380 -0.044 1.911) 2.358 24.571 ( -2.233 3.251 4.589) 6.052 24.784 ( 4.358 -2.171 -15.071) 15.838 25.002 ( -5.300 -7.859 11.059) 14.565 25.403 ( 9.855 -0.573 -9.715) 13.850 25.897 ( -1.577 -2.252 9.860) 10.236 26.121 ( 3.847 -0.176 -11.176) 11.821 27.215 ( -3.760 2.952 -7.912) 9.244 27.263 ( 4.830 1.097 12.461) 13.409 27.424 ( 2.314 -0.591 -4.241) 4.867 27.564 ( 12.017 3.856 0.661) 12.638 27.771 ( -1.594 -6.176 -6.344) 8.996 27.970 ( 10.568 -6.617 5.725) 13.720 28.282 ( -3.063 -1.671 -1.664) 3.865 28.440 ( 2.796 6.145 -0.481) 6.768 28.829 ( -0.280 -4.979 -7.881) 9.327 28.851 ( 2.680 -9.939 -1.891) 10.466 29.975 ( -8.319 0.275 -6.411) 10.506 29.986 ( -12.673 0.504 12.450) 17.772 30.173 ( 4.467 3.885 7.529) 9.578 30.224 ( -2.339 3.766 -0.402) 4.451 30.448 ( -7.683 1.972 -6.488) 10.247 30.798 ( 12.119 3.986 0.672) 12.775 31.078 ( -9.960 0.945 -3.221) 10.510 31.320 ( 5.211 1.998 2.995) 6.334 31.934 ( -11.963 7.160 3.476) 14.369 32.304 ( 4.698 12.617 0.169) 13.465 33.132 ( -8.817 1.849 -7.564) 11.763 33.244 ( 0.434 -6.101 14.536) 15.770 33.415 ( -3.224 4.005 -1.096) 5.256 33.703 ( 6.237 -1.060 -10.027) 11.856 34.777 ( -0.633 0.585 13.107) 13.136 34.827 ( -1.611 1.129 -5.817) 6.141 34.952 ( -2.349 -1.688 3.264) 4.361 35.307 ( 7.990 -0.650 -6.299) 10.195 36.857 ( -2.906 7.565 10.267) 13.081 37.065 ( 2.380 7.248 -9.220) 11.967 37.654 ( -0.955 -2.708 10.056) 10.458 37.906 ( 4.185 -5.426 -4.457) 8.174 38.141 ( 0.375 1.398 -0.614) 1.573 38.149 ( -5.823 0.461 -1.747) 6.097 38.258 ( 1.150 -3.013 5.542) 6.412 38.469 ( 5.175 2.714 -6.532) 8.764 38.869 ( -1.962 -1.833 -6.271) 6.821 38.917 ( 1.339 -4.889 3.625) 6.232 39.447 ( -5.776 -0.084 1.754) 6.037 39.561 ( -1.407 0.295 -1.554) 2.117 49.158 ( -0.784 -1.492 1.928) 2.561 49.179 ( -0.170 -1.429 -1.991) 2.456 49.564 ( 0.272 1.620 0.709) 1.790 49.586 ( 1.023 0.542 -0.448) 1.242 86.569 ( -2.550 1.482 1.290) 3.219 86.683 ( -1.005 1.666 -1.369) 2.379 86.947 ( 9.831 1.135 2.356) 10.173 87.140 ( 16.555 -7.207 -4.667) 18.649 89.346 ( -2.564 -1.389 0.088) 2.918 89.432 ( 1.187 -1.561 -1.017) 2.209 89.628 ( -3.073 -0.815 -0.306) 3.194 89.706 ( 0.352 -0.671 -0.281) 0.808 90.236 ( -7.090 -5.898 11.155) 14.474 90.622 ( 6.797 -4.092 -9.497) 12.375 90.736 ( -5.792 -5.039 17.576) 19.180 91.162 ( 3.306 -1.895 -23.814) 24.117 92.400 ( 0.962 2.944 10.077) 10.542 92.464 ( -1.418 3.109 -13.293) 13.725 92.720 ( -8.113 -1.050 8.648) 11.904 93.084 ( 7.075 -2.166 -5.778) 9.388 95.644 ( -5.303 5.410 15.721) 17.451 95.870 ( 1.105 5.186 -2.539) 5.878 96.048 ( -1.556 -5.843 2.943) 6.725 96.267 ( 6.380 -3.390 -12.292) 14.258 96.851 ( -4.699 2.957 9.747) 11.217 96.979 ( -2.594 3.170 -7.774) 8.788 97.552 ( -4.644 7.224 27.829) 29.124 97.983 ( 3.165 8.444 -28.208) 29.614 ======================= Grid point 215 (114/125) ======================= q-point: ( 0.29 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 9.987 13.464 -13.937) 21.801 2.895 ( 6.790 8.410 3.058) 11.233 3.131 ( -3.062 3.541 -1.477) 4.909 3.349 ( 2.470 7.009 3.453) 8.195 3.497 ( -10.556 -9.143 -2.657) 14.215 3.650 ( 0.680 -0.108 2.725) 2.811 3.917 ( -5.991 -15.722 -4.069) 17.310 4.145 ( -2.652 -2.015 -2.003) 3.887 4.524 ( 2.442 1.333 3.198) 4.239 4.610 ( 3.791 -1.199 2.555) 4.726 4.725 ( 3.288 1.063 -4.951) 6.037 4.786 ( 0.070 0.624 -0.920) 1.114 4.895 ( 6.679 9.916 16.212) 20.144 5.003 ( 0.787 0.923 9.347) 9.425 5.091 ( 8.007 -2.932 2.850) 8.991 5.273 ( 3.357 5.114 6.232) 8.733 5.354 ( 8.298 -0.705 1.738) 8.508 5.503 ( 3.034 -1.919 -7.524) 8.336 5.648 ( 6.126 4.419 -6.547) 9.996 5.738 ( 1.598 0.965 -4.003) 4.417 5.974 ( -5.250 1.014 -1.110) 5.461 6.036 ( 0.824 1.548 6.952) 7.169 6.273 ( 6.320 2.313 5.534) 8.713 6.336 ( 1.771 -2.607 -2.485) 4.014 6.463 ( -0.934 -6.195 -1.351) 6.409 6.608 ( -0.368 -5.870 3.690) 6.943 6.821 ( 1.714 0.881 8.990) 9.194 6.999 ( -0.563 2.643 -11.529) 11.841 7.111 ( 0.661 -1.430 -3.002) 3.391 7.347 ( 0.119 3.516 2.200) 4.149 7.552 ( -8.869 -6.561 -4.326) 11.850 7.650 ( 7.950 -7.301 -9.063) 14.094 7.766 ( 4.393 -0.310 1.989) 4.832 8.189 ( 0.248 -1.049 5.362) 5.470 8.313 ( -0.503 -7.222 12.763) 14.673 8.592 ( 2.084 1.544 -7.828) 8.247 8.742 ( -19.555 -1.241 -5.622) 20.385 9.222 ( -9.398 -4.549 0.236) 10.444 9.491 ( -11.443 6.094 -2.792) 13.262 9.712 ( -16.827 0.479 0.727) 16.849 10.529 ( -1.202 5.396 5.587) 7.860 10.721 ( 3.067 8.042 -10.339) 13.453 11.917 ( 0.572 5.759 1.000) 5.873 12.189 ( -2.228 -6.096 -0.605) 6.519 12.609 ( 3.251 7.494 -0.096) 8.169 12.743 ( 4.488 4.177 -1.205) 6.248 12.876 ( -0.380 0.386 -0.573) 0.788 12.949 ( 2.220 0.988 2.533) 3.510 13.381 ( -4.217 -1.438 -3.040) 5.394 13.546 ( -4.058 -1.176 1.813) 4.597 15.589 ( 2.619 0.309 0.132) 2.641 15.622 ( 1.466 -0.920 0.393) 1.775 15.698 ( 2.716 -1.573 -2.210) 3.839 15.820 ( -0.472 -0.900 -0.487) 1.127 16.247 ( 1.344 2.106 3.064) 3.954 16.287 ( 1.502 -2.327 -0.783) 2.878 16.354 ( -3.370 -1.853 1.795) 4.244 16.473 ( -1.989 -6.294 0.431) 6.614 16.619 ( -0.576 -0.329 4.915) 4.959 16.846 ( 3.140 -1.584 -10.011) 10.610 17.161 ( -1.173 1.452 3.530) 3.993 17.406 ( 0.820 0.822 -4.903) 5.039 21.825 ( -2.457 -1.482 3.090) 4.217 21.964 ( 0.933 -3.053 -5.740) 6.568 22.173 ( -2.963 -0.906 -4.735) 5.658 22.262 ( -6.521 -2.330 4.491) 8.254 22.394 ( 4.467 0.159 3.538) 5.701 22.491 ( 2.983 -0.316 1.869) 3.534 22.687 ( 0.069 0.528 -2.019) 2.088 22.806 ( -1.555 -3.179 3.743) 5.151 23.003 ( 2.244 3.392 2.210) 4.629 23.180 ( 0.550 0.740 -5.877) 5.949 23.556 ( 2.376 -1.709 -2.052) 3.574 23.641 ( 0.255 0.840 6.154) 6.216 23.837 ( -2.030 -0.879 6.945) 7.289 24.066 ( -2.331 -0.900 2.550) 3.570 24.555 ( -1.799 4.595 5.840) 7.645 24.797 ( 4.561 -1.527 -15.019) 15.771 25.006 ( -0.502 -9.590 14.617) 17.489 25.537 ( 9.002 0.270 -10.366) 13.732 25.906 ( -2.216 -2.081 7.665) 8.245 26.131 ( 2.979 -0.676 -13.446) 13.788 27.116 ( -2.397 -0.422 -5.635) 6.138 27.390 ( 3.376 -3.731 4.494) 6.746 27.486 ( 2.790 1.624 4.119) 5.233 27.712 ( 2.946 -0.993 -7.606) 8.217 27.845 ( 12.740 6.705 0.347) 14.401 28.138 ( 4.705 -5.117 -1.268) 7.066 28.323 ( 8.908 -2.516 4.117) 10.131 28.483 ( 2.435 1.429 0.987) 2.991 28.798 ( 1.186 -3.258 -8.241) 8.941 28.866 ( -0.644 -7.247 -2.477) 7.686 29.759 ( -15.300 0.688 8.733) 17.630 29.809 ( -7.221 -1.799 -4.632) 8.766 30.118 ( -6.157 3.782 -1.361) 7.353 30.212 ( -7.781 0.738 0.563) 7.836 30.376 ( 4.410 2.402 2.926) 5.812 30.868 ( -10.439 0.885 -3.153) 10.940 31.049 ( 14.269 3.157 2.120) 14.767 31.437 ( 6.294 4.268 4.355) 8.764 31.729 ( -11.671 5.690 2.480) 13.219 32.301 ( -5.981 10.939 -1.719) 12.585 32.973 ( -3.623 4.467 -5.035) 7.644 33.215 ( -7.707 -3.013 6.379) 10.449 33.431 ( 3.002 1.155 4.479) 5.515 33.745 ( 3.652 0.058 -10.750) 11.353 34.721 ( -7.043 2.032 9.541) 12.032 34.831 ( 2.071 -0.003 -6.805) 7.113 35.021 ( 5.795 0.034 7.833) 9.743 35.402 ( 4.641 0.211 -4.931) 6.774 36.851 ( -2.147 5.568 7.801) 9.821 37.055 ( 1.049 5.289 -9.175) 10.642 37.726 ( 3.779 -1.342 8.767) 9.641 37.924 ( 0.096 -5.191 -2.739) 5.870 38.012 ( -7.733 -1.265 1.815) 8.043 38.165 ( 1.591 0.680 -3.195) 3.634 38.318 ( 1.951 -0.056 6.375) 6.667 38.547 ( 6.013 2.926 -5.881) 8.905 38.821 ( 0.872 -0.488 -7.454) 7.520 38.925 ( -2.784 -3.714 4.241) 6.288 39.362 ( -3.817 -2.363 2.179) 4.990 39.502 ( -3.895 -0.621 -1.474) 4.211 49.147 ( -1.311 -1.598 2.196) 3.016 49.170 ( 0.327 -1.460 -2.243) 2.696 49.576 ( 0.577 1.681 0.918) 2.000 49.602 ( 0.920 0.533 -0.640) 1.241 86.559 ( 0.746 1.495 0.952) 1.923 86.670 ( -0.122 1.894 -0.769) 2.048 87.178 ( 12.195 0.576 4.611) 13.050 87.426 ( 16.361 -10.641 -8.052) 21.113 89.305 ( -1.716 -1.170 -0.024) 2.077 89.422 ( -1.624 -1.774 -2.407) 3.403 89.575 ( -2.092 -1.065 -0.242) 2.361 89.680 ( -2.770 -0.530 -0.170) 2.826 90.169 ( -5.828 -3.398 13.178) 14.804 90.673 ( 1.392 -3.957 -15.037) 15.611 90.720 ( -1.431 -5.454 16.840) 17.759 91.107 ( 2.225 -3.113 -20.213) 20.572 92.339 ( -1.326 4.533 -10.615) 11.618 92.402 ( -6.828 1.541 -0.069) 7.001 92.731 ( 1.784 -0.476 18.185) 18.278 93.166 ( 4.981 -1.869 -7.330) 9.057 95.636 ( -3.703 5.561 17.052) 18.314 95.876 ( 0.409 4.501 -1.061) 4.642 96.038 ( -0.819 -5.654 2.341) 6.174 96.314 ( 4.826 -2.928 -14.363) 15.433 96.792 ( -5.817 3.209 8.097) 10.473 96.877 ( -3.297 2.475 -8.252) 9.225 97.578 ( -5.867 8.157 25.293) 27.215 97.942 ( 5.053 8.623 -22.420) 24.547 ======================= Grid point 216 (115/125) ======================= q-point: ( 0.43 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 7.385 6.018 -4.809) 10.672 2.933 ( -4.536 6.287 -0.596) 7.775 3.117 ( 2.470 7.014 0.634) 7.463 3.254 ( -5.384 -0.180 -4.914) 7.291 3.455 ( 2.281 -1.738 6.212) 6.842 3.665 ( -5.430 -4.833 -0.346) 7.278 3.859 ( 7.626 -8.940 -3.175) 12.172 4.031 ( -9.224 -8.991 -0.311) 12.885 4.566 ( 0.639 3.656 4.048) 5.492 4.641 ( -2.121 -0.771 5.194) 5.663 4.718 ( -3.198 3.794 -1.104) 5.083 4.778 ( 3.556 -4.591 -7.270) 9.305 5.022 ( -0.092 0.354 4.888) 4.902 5.149 ( 7.254 5.370 5.526) 10.583 5.253 ( 8.326 -2.496 4.135) 9.626 5.360 ( 1.962 10.753 8.181) 13.653 5.492 ( 0.091 1.784 2.976) 3.470 5.548 ( 4.028 1.379 0.393) 4.275 5.735 ( 6.456 4.216 0.191) 7.713 5.787 ( 8.419 9.399 -9.342) 15.700 5.851 ( -6.724 2.848 2.466) 7.707 6.014 ( -6.695 3.533 -6.409) 9.919 6.280 ( 0.162 0.809 0.307) 0.880 6.394 ( -2.254 -3.110 -3.749) 5.368 6.505 ( 5.954 1.629 7.828) 9.969 6.661 ( 3.990 -5.467 3.514) 7.626 6.872 ( 0.267 1.010 2.304) 2.530 6.943 ( 2.520 -3.578 -2.257) 4.924 7.094 ( -3.440 -1.837 -5.281) 6.565 7.230 ( -11.018 -2.946 -5.845) 12.815 7.523 ( 4.430 -12.508 10.265) 16.776 7.831 ( 11.930 -10.164 -7.895) 17.548 7.887 ( 8.857 0.031 1.637) 9.007 8.125 ( -22.532 -5.303 7.667) 24.385 8.241 ( 2.362 -0.929 3.003) 3.932 8.543 ( -2.145 1.013 -11.305) 11.551 8.617 ( 8.348 -1.683 0.030) 8.516 8.973 ( -14.837 -6.458 -6.333) 17.377 9.376 ( -0.551 6.071 0.371) 6.107 9.456 ( -9.844 3.019 1.605) 10.421 10.522 ( -2.560 6.602 8.203) 10.837 10.713 ( 1.521 7.927 -10.510) 13.252 11.969 ( 3.701 3.574 2.069) 5.545 12.111 ( -4.345 -0.502 -2.650) 5.114 12.680 ( 3.453 5.309 1.574) 6.526 12.776 ( -0.787 3.175 -2.164) 3.922 12.892 ( 3.017 3.580 -0.017) 4.682 12.959 ( -2.420 3.100 0.585) 3.976 13.357 ( 2.222 -3.148 0.471) 3.882 13.459 ( -4.830 -3.096 -0.677) 5.777 15.610 ( -0.298 0.177 1.429) 1.471 15.644 ( 1.754 0.070 -2.315) 2.906 15.764 ( 4.325 -1.497 -2.039) 5.010 15.792 ( -2.551 -1.474 0.511) 2.990 16.268 ( -4.597 -3.129 7.152) 9.059 16.293 ( 1.707 1.065 -0.566) 2.090 16.348 ( 2.591 -2.299 0.386) 3.486 16.444 ( -0.164 -3.213 -4.093) 5.206 16.630 ( -1.101 -2.295 7.104) 7.546 16.838 ( 1.251 -1.469 -10.777) 10.948 17.191 ( 1.772 1.382 5.341) 5.795 17.372 ( -1.565 0.902 -6.121) 6.382 21.815 ( -0.187 -1.584 3.636) 3.971 21.939 ( -1.278 -2.308 -5.351) 5.966 22.121 ( -2.589 -2.150 0.806) 3.461 22.155 ( -2.543 -2.832 -1.678) 4.160 22.497 ( 4.123 -0.073 3.254) 5.253 22.541 ( -0.001 -0.698 2.259) 2.365 22.717 ( 2.373 2.345 2.432) 4.129 22.803 ( 0.127 -2.006 0.843) 2.180 23.015 ( -0.651 2.887 1.360) 3.257 23.130 ( -2.416 1.113 -6.492) 7.016 23.615 ( 4.226 -0.812 -1.661) 4.613 23.635 ( -2.762 -0.622 3.257) 4.316 23.874 ( 1.674 -1.442 8.619) 8.898 24.012 ( -4.354 -1.232 2.022) 4.956 24.559 ( -1.377 4.175 7.081) 8.334 24.808 ( 4.129 -0.384 -15.340) 15.891 25.116 ( 3.353 -8.417 18.946) 21.001 25.599 ( 3.147 -1.242 -15.184) 15.557 25.883 ( -3.770 -1.532 7.067) 8.155 26.106 ( 2.105 -1.091 -14.712) 14.902 27.115 ( 3.383 -3.997 1.912) 5.575 27.361 ( -5.669 -4.943 -6.211) 9.754 27.529 ( -2.362 3.457 10.976) 11.748 27.744 ( 4.599 1.063 -10.182) 11.223 28.052 ( 7.105 3.378 5.183) 9.421 28.221 ( 5.388 1.930 -5.731) 8.099 28.503 ( 6.648 2.444 5.434) 8.927 28.559 ( 3.559 -7.279 1.264) 8.201 28.789 ( 0.633 -0.748 -5.309) 5.398 28.804 ( -2.607 -5.048 -6.416) 8.570 29.546 ( -12.074 -2.539 12.522) 17.579 29.696 ( -0.450 -1.302 -8.345) 8.457 30.012 ( -4.752 1.995 1.196) 5.291 30.074 ( -3.776 0.457 -3.935) 5.472 30.489 ( 4.392 2.892 6.032) 8.002 30.691 ( -7.152 1.917 -1.935) 7.654 31.324 ( 14.527 0.938 0.056) 14.557 31.526 ( -10.521 2.705 3.028) 11.277 31.623 ( 10.493 7.631 6.374) 14.455 32.074 ( -15.265 7.692 -5.408) 17.929 32.971 ( 3.553 7.135 0.120) 7.971 33.087 ( -7.310 1.450 1.460) 7.594 33.507 ( 1.916 -0.888 6.633) 6.961 33.742 ( 1.850 0.063 -11.682) 11.828 34.646 ( -6.378 0.773 12.123) 13.720 34.843 ( 4.074 0.029 -11.196) 11.914 35.176 ( 5.501 2.893 9.682) 11.506 35.417 ( -0.412 1.298 -5.325) 5.496 36.852 ( -1.755 2.368 7.236) 7.813 37.019 ( 0.044 3.865 -8.833) 9.642 37.843 ( 2.504 -0.709 6.043) 6.579 37.912 ( -2.037 -2.390 1.340) 3.414 37.924 ( 0.876 -2.531 3.221) 4.189 38.127 ( -3.266 -0.127 -5.441) 6.347 38.393 ( 2.409 1.868 7.097) 7.724 38.599 ( 2.391 2.906 -8.436) 9.237 38.809 ( -5.140 -0.661 6.640) 8.423 38.897 ( 4.349 -1.992 -7.967) 9.293 39.341 ( 0.425 -3.611 2.008) 4.154 39.424 ( -3.269 -2.157 -1.780) 4.302 49.134 ( -1.242 -1.653 2.299) 3.092 49.171 ( 0.964 -1.531 -2.497) 3.084 49.586 ( -0.333 1.230 1.763) 2.175 49.614 ( 0.925 0.991 -1.483) 2.009 86.594 ( 2.087 2.011 1.198) 3.137 86.657 ( -1.090 2.102 -1.103) 2.612 87.386 ( 6.027 -2.065 7.327) 9.710 87.613 ( 7.435 -12.627 -10.944) 18.289 89.290 ( 0.256 -0.904 0.053) 0.941 89.354 ( -3.902 -1.508 -2.440) 4.843 89.563 ( 0.843 -0.673 0.842) 1.368 89.618 ( -3.789 -0.706 0.748) 3.926 90.157 ( -2.872 -1.501 16.623) 16.936 90.594 ( -1.265 -0.087 -14.158) 14.214 90.773 ( -0.750 -8.448 9.196) 12.509 91.076 ( 4.356 -4.582 -17.602) 18.703 92.236 ( -8.961 3.114 5.647) 11.040 92.329 ( 3.649 3.394 -12.271) 13.245 92.863 ( 2.603 -1.002 16.855) 17.084 93.195 ( 2.583 -1.154 -10.395) 10.773 95.667 ( -1.854 6.007 17.763) 18.842 95.874 ( -0.127 4.478 -0.720) 4.538 96.041 ( -0.203 -5.628 3.055) 6.407 96.290 ( 0.476 -2.604 -16.410) 16.622 96.721 ( -6.146 2.515 8.669) 10.920 96.828 ( 2.722 2.697 -8.256) 9.102 97.574 ( -6.887 7.599 23.545) 25.681 97.957 ( 7.521 9.438 -21.010) 24.230 ======================= Grid point 218 (116/125) ======================= q-point: (-0.43 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -17.084 11.560 7.370) 21.904 2.904 ( -2.008 6.230 2.698) 7.080 3.173 ( 0.616 5.493 -4.570) 7.172 3.273 ( 10.978 -4.894 -5.073) 13.046 3.553 ( -1.291 -2.563 -2.316) 3.688 3.598 ( 6.673 -4.542 4.391) 9.189 3.792 ( -10.777 -11.827 3.565) 16.393 4.079 ( 9.996 -4.878 -4.284) 11.919 4.555 ( -4.906 5.805 3.797) 8.496 4.613 ( -5.086 -7.377 8.397) 12.280 4.644 ( -0.952 7.914 -1.453) 8.102 4.822 ( 3.073 -2.963 -4.634) 6.301 4.988 ( -5.342 -3.579 5.735) 8.616 5.219 ( 2.464 1.249 -9.015) 9.428 5.386 ( -0.390 2.129 6.582) 6.929 5.402 ( -1.848 7.952 5.826) 10.029 5.467 ( -2.086 8.335 2.728) 9.015 5.502 ( -8.890 7.277 5.745) 12.846 5.745 ( -7.174 -0.252 -4.818) 8.646 5.806 ( -0.667 4.556 -7.733) 9.000 5.906 ( 4.665 0.327 -4.853) 6.739 5.945 ( 10.398 11.701 -2.251) 15.815 6.319 ( 2.213 -0.815 1.495) 2.792 6.347 ( 1.131 -6.423 -3.884) 7.591 6.568 ( -2.885 0.403 6.346) 6.983 6.705 ( -0.242 -0.085 -8.099) 8.103 6.842 ( -7.865 1.384 5.405) 9.643 6.945 ( -6.717 -2.004 -5.238) 8.750 7.064 ( 8.336 -5.322 11.263) 14.989 7.117 ( 3.046 -5.206 -2.485) 6.524 7.593 ( -6.515 -15.125 11.299) 19.972 7.749 ( -13.620 -3.362 -4.450) 14.718 7.901 ( -0.457 -7.706 -5.775) 9.641 8.167 ( 15.670 0.765 -0.236) 15.690 8.320 ( 2.736 -0.001 8.731) 9.150 8.484 ( 6.040 -0.432 -12.953) 14.298 8.667 ( -9.687 -4.231 -4.473) 11.478 8.922 ( 18.533 -4.079 -1.904) 19.072 9.344 ( -1.313 6.765 3.009) 7.520 9.486 ( 9.836 1.449 -0.807) 9.975 10.522 ( -1.943 7.610 9.483) 12.313 10.685 ( 0.434 7.508 -9.013) 11.739 11.986 ( -3.737 3.087 0.859) 4.923 12.099 ( 5.384 0.317 -1.898) 5.717 12.702 ( -4.130 4.404 -0.047) 6.038 12.736 ( -0.453 3.688 1.143) 3.887 12.898 ( -2.791 1.787 -0.455) 3.345 12.965 ( 3.777 5.347 -0.202) 6.549 13.334 ( -4.801 -2.849 2.379) 6.069 13.483 ( 7.154 -3.725 -2.564) 8.463 15.606 ( -0.976 0.454 1.172) 1.591 15.659 ( 1.439 0.055 -3.211) 3.519 15.731 ( -4.415 -1.966 1.124) 4.962 15.819 ( 2.455 -1.262 -1.882) 3.341 16.199 ( -5.313 -4.210 6.198) 9.186 16.323 ( 0.471 1.366 2.176) 2.612 16.399 ( 1.160 1.120 -0.230) 1.629 16.450 ( 5.267 -4.908 -7.105) 10.115 16.646 ( -1.307 -3.835 8.677) 9.577 16.800 ( 0.213 -0.924 -10.228) 10.272 17.256 ( 1.889 1.135 5.630) 6.045 17.303 ( -2.263 1.022 -6.091) 6.578 21.848 ( 1.164 -2.240 4.050) 4.772 21.887 ( -1.199 -1.169 -3.658) 4.023 22.044 ( -3.590 -3.454 4.468) 6.692 22.217 ( 7.324 -2.259 -4.037) 8.663 22.514 ( -3.283 -0.082 1.297) 3.531 22.552 ( -0.139 -0.890 1.491) 1.742 22.686 ( -5.899 0.128 4.128) 7.202 22.872 ( 6.213 2.556 -3.638) 7.640 23.023 ( -1.473 0.112 0.842) 1.701 23.066 ( 0.448 1.848 -1.546) 2.451 23.558 ( -5.092 -1.255 3.294) 6.193 23.710 ( 5.355 0.105 -3.602) 6.454 23.939 ( -3.887 -1.145 1.018) 4.178 23.952 ( 1.671 -1.301 9.413) 9.648 24.561 ( -1.861 2.301 6.892) 7.501 24.804 ( 3.264 0.837 -15.471) 15.834 25.262 ( 1.382 -5.647 18.883) 19.757 25.504 ( -3.417 -4.874 -20.408) 21.258 25.853 ( -3.080 -1.001 9.196) 9.749 26.096 ( 3.663 -0.712 -12.604) 13.145 27.155 ( -7.040 -1.823 0.156) 7.274 27.269 ( 5.018 -7.759 0.817) 9.276 27.505 ( -5.341 3.583 11.714) 13.364 27.755 ( 1.263 0.516 -10.156) 10.247 28.087 ( -7.055 2.266 2.842) 7.936 28.241 ( 0.937 5.438 -7.933) 9.663 28.528 ( -6.170 -1.488 3.292) 7.150 28.604 ( -3.284 -4.601 -3.569) 6.685 28.705 ( 0.421 0.299 0.903) 1.041 28.838 ( 5.625 -5.808 -7.619) 11.109 29.474 ( -1.532 -6.332 13.685) 15.157 29.749 ( 9.587 4.123 -7.937) 13.111 29.975 ( -0.020 2.497 4.158) 4.851 30.076 ( 5.615 -0.964 -3.270) 6.569 30.567 ( -2.210 3.579 1.846) 4.594 30.615 ( 3.065 2.288 1.785) 4.221 31.338 ( -10.074 1.040 -0.774) 10.158 31.565 ( 11.645 1.834 -2.480) 12.047 31.761 ( -13.598 6.651 -6.352) 16.416 31.902 ( 13.461 6.758 11.999) 19.257 32.954 ( -5.954 2.964 2.224) 7.013 33.092 ( 7.285 7.754 0.314) 10.644 33.553 ( -0.326 -0.018 6.449) 6.457 33.708 ( 0.698 -1.571 -12.463) 12.582 34.602 ( -4.725 -0.848 13.079) 13.933 34.881 ( 5.878 0.826 -11.810) 13.218 35.257 ( -2.933 4.423 6.795) 8.622 35.365 ( -0.878 0.249 -4.971) 5.054 36.841 ( -3.214 2.416 8.226) 9.156 37.000 ( 2.060 2.697 -6.819) 7.617 37.831 ( -3.391 -1.626 6.695) 7.679 37.931 ( 2.596 -2.584 -0.147) 3.666 38.003 ( -2.369 0.766 -1.641) 2.982 38.047 ( 3.031 -1.089 -0.618) 3.280 38.454 ( 0.469 2.777 6.066) 6.688 38.555 ( -2.344 3.480 -7.524) 8.614 38.720 ( -5.728 -3.540 5.648) 8.789 38.985 ( 6.935 -1.031 -8.170) 10.766 39.380 ( 0.830 -2.578 -1.244) 2.980 39.392 ( 3.026 -2.880 0.715) 4.238 49.126 ( -0.708 -1.612 2.182) 2.804 49.180 ( 1.318 -1.608 -2.565) 3.302 49.580 ( -1.144 1.047 1.789) 2.368 49.621 ( 0.468 1.100 -1.549) 1.957 86.614 ( -1.786 2.146 -0.468) 2.831 86.638 ( 0.979 2.298 0.366) 2.524 87.431 ( -5.300 -4.349 7.854) 10.426 87.568 ( -6.518 -11.410 -11.628) 17.546 89.294 ( -1.249 -0.826 -0.369) 1.542 89.321 ( 2.686 -1.108 1.104) 3.108 89.562 ( -2.402 -1.089 1.346) 2.961 89.607 ( 2.875 -0.020 1.529) 3.256 90.208 ( -1.042 -1.290 18.547) 18.621 90.522 ( 2.022 0.339 -17.451) 17.571 90.769 ( -4.302 -7.828 10.586) 13.851 91.103 ( 7.123 -5.384 -17.956) 20.053 92.121 ( -6.729 3.076 8.918) 11.588 92.383 ( 7.292 3.273 -9.288) 12.254 92.964 ( 0.499 -1.893 13.336) 13.478 93.163 ( 0.207 -0.278 -14.073) 14.078 95.718 ( -1.746 6.490 16.302) 17.633 95.869 ( 0.333 5.241 -1.784) 5.546 96.060 ( 0.030 -5.863 5.600) 8.108 96.212 ( -0.217 -2.518 -14.889) 15.102 96.660 ( -4.176 1.353 8.535) 9.598 96.880 ( 5.982 3.003 -7.472) 10.031 97.544 ( -7.673 7.004 21.722) 24.079 98.020 ( 10.097 9.808 -22.479) 26.523 ======================= Grid point 219 (117/125) ======================= q-point: (-0.29 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -15.986 20.478 13.091) 29.091 2.883 ( -1.237 6.516 3.573) 7.534 3.136 ( -2.099 4.089 -3.449) 5.747 3.409 ( -3.477 -12.658 5.444) 14.211 3.534 ( 8.688 4.133 -11.147) 14.724 3.675 ( 2.652 -5.014 0.384) 5.685 3.846 ( 10.641 -10.677 5.064) 15.902 4.127 ( -3.786 -4.301 -0.910) 5.802 4.446 ( -7.949 7.323 6.509) 12.617 4.592 ( -3.076 -6.240 1.624) 7.144 4.623 ( -0.176 4.909 2.825) 5.667 4.826 ( -0.996 2.662 -3.062) 4.178 4.923 ( -4.072 -3.528 7.196) 8.989 5.171 ( -3.895 1.747 -6.067) 7.418 5.265 ( -11.927 6.028 3.148) 13.730 5.355 ( -6.378 3.497 10.874) 13.082 5.372 ( -3.908 1.917 -1.652) 4.656 5.465 ( 2.474 7.710 -12.695) 15.058 5.578 ( -5.741 -1.658 -6.450) 8.793 5.785 ( 0.463 -1.206 -10.611) 10.689 5.935 ( 0.052 -0.143 1.289) 1.298 6.100 ( 4.238 5.920 0.507) 7.298 6.323 ( -0.676 -4.618 -4.157) 6.251 6.378 ( -0.243 -5.232 -0.014) 5.237 6.507 ( -1.365 0.778 -4.868) 5.115 6.664 ( -2.496 0.999 7.609) 8.070 6.712 ( -2.991 -4.123 -0.656) 5.135 6.873 ( -3.071 0.778 5.842) 6.646 7.153 ( -1.175 -2.315 3.807) 4.608 7.326 ( 11.265 -0.001 7.974) 13.802 7.412 ( -8.734 -9.151 -2.043) 12.814 7.590 ( -4.124 -2.645 -1.310) 5.071 7.840 ( -1.678 -4.294 -6.220) 7.743 8.285 ( 1.694 1.632 -4.150) 4.771 8.397 ( -0.331 1.355 8.496) 8.610 8.512 ( -5.245 -5.672 -2.093) 8.004 8.764 ( 24.183 -2.761 -8.862) 25.903 9.254 ( 15.154 -4.652 -3.378) 16.208 9.428 ( 10.179 9.466 3.296) 14.285 9.723 ( 14.940 -1.686 0.044) 15.035 10.534 ( -1.567 7.915 8.773) 11.919 10.644 ( -1.062 7.102 -6.491) 9.680 11.939 ( -0.389 5.514 -1.154) 5.647 12.186 ( 3.244 -5.405 -0.265) 6.309 12.607 ( -5.043 6.261 -0.034) 8.039 12.706 ( -3.722 4.230 2.507) 6.167 12.871 ( -0.516 -1.038 0.045) 1.160 12.993 ( -0.587 4.287 -1.916) 4.732 13.311 ( 1.681 -2.119 3.584) 4.490 13.599 ( 6.028 -1.698 -3.122) 6.997 15.580 ( -2.210 0.491 0.554) 2.331 15.637 ( -4.552 -1.460 0.160) 4.783 15.685 ( 1.643 -1.083 -2.106) 2.882 15.835 ( 0.281 -1.012 -1.746) 2.037 16.143 ( -3.828 -3.051 6.437) 8.087 16.336 ( 0.314 -0.218 2.516) 2.545 16.397 ( 0.102 2.809 -4.169) 5.029 16.545 ( 7.062 -5.584 -5.745) 10.680 16.655 ( -1.935 -3.981 7.948) 9.098 16.755 ( -0.692 -0.529 -7.821) 7.869 17.238 ( -0.889 1.450 -4.238) 4.567 17.312 ( 0.620 0.705 4.538) 4.634 21.849 ( -1.565 -2.455 3.082) 4.240 21.892 ( 1.723 -1.793 -0.662) 2.574 22.072 ( 3.691 -2.717 5.153) 6.896 22.342 ( 6.880 -1.455 -3.682) 7.938 22.440 ( -4.777 1.034 -0.558) 4.920 22.500 ( -3.954 -0.794 1.227) 4.215 22.631 ( -1.974 -1.215 2.984) 3.779 22.910 ( 0.565 -2.364 -7.485) 7.870 23.001 ( -0.570 5.153 3.416) 6.209 23.095 ( -0.074 0.022 2.074) 2.075 23.506 ( -1.826 -1.658 2.904) 3.810 23.752 ( 0.870 1.367 -5.007) 5.263 23.899 ( -0.518 -0.478 0.688) 0.985 24.006 ( -0.838 -0.842 9.678) 9.751 24.561 ( -1.088 0.599 5.487) 5.626 24.787 ( 2.823 1.095 -15.070) 15.371 25.287 ( -5.986 -3.245 7.574) 10.185 25.356 ( -2.136 -7.037 -13.416) 15.299 25.860 ( -1.913 -1.424 12.100) 12.333 26.107 ( 3.109 -0.297 -10.885) 11.324 27.030 ( -4.882 0.318 3.228) 5.862 27.365 ( 0.098 -7.924 4.896) 9.315 27.484 ( -0.154 2.596 7.772) 8.195 27.687 ( -3.598 -0.702 -7.729) 8.554 27.865 ( -15.332 4.220 -1.252) 15.951 28.217 ( 2.130 5.622 -7.927) 9.949 28.375 ( -13.397 -8.846 -1.994) 16.177 28.460 ( -5.066 0.650 4.061) 6.526 28.749 ( 2.566 0.465 -4.046) 4.814 28.918 ( 5.511 -8.956 -7.100) 12.688 29.591 ( 5.612 -5.885 14.148) 16.319 29.920 ( 11.272 7.046 -4.992) 14.199 30.051 ( 5.083 5.343 5.609) 9.265 30.218 ( 9.650 -1.727 -1.590) 9.931 30.494 ( -3.436 3.471 -5.743) 7.539 30.725 ( 3.953 2.855 7.252) 8.739 31.155 ( -7.465 -0.570 -5.556) 9.323 31.498 ( -9.023 6.754 -1.877) 11.426 31.795 ( 11.988 4.087 -4.869) 13.569 32.164 ( 6.973 5.845 12.638) 15.573 32.895 ( -0.847 3.358 3.164) 4.691 33.245 ( 8.594 6.177 1.170) 10.649 33.547 ( -2.855 1.531 2.763) 4.258 33.660 ( -0.026 -3.981 -10.329) 11.070 34.595 ( -2.610 -1.999 13.011) 13.420 34.948 ( 6.972 1.547 -10.993) 13.109 35.157 ( -6.527 2.112 -2.501) 7.302 35.322 ( -4.673 -0.245 1.433) 4.894 36.829 ( -2.343 4.692 9.646) 10.980 37.020 ( 2.753 3.827 -5.214) 7.029 37.800 ( -4.070 -3.271 8.034) 9.582 37.895 ( -3.629 -0.211 -6.651) 7.579 38.011 ( 4.585 -1.758 2.303) 5.423 38.107 ( 0.462 0.007 1.160) 1.248 38.434 ( -3.851 4.552 2.387) 6.423 38.511 ( 0.829 1.239 -7.644) 7.788 38.677 ( -0.915 -4.717 4.796) 6.789 39.038 ( 2.167 -2.798 -5.906) 6.885 39.416 ( 4.631 -1.782 -3.455) 6.047 39.476 ( 4.507 -0.474 1.228) 4.695 49.129 ( 0.002 -1.502 1.953) 2.463 49.192 ( 1.161 -1.640 -2.421) 3.146 49.565 ( -1.123 1.106 1.406) 2.112 49.614 ( -0.461 0.924 -1.238) 1.612 86.581 ( -0.558 1.679 -1.334) 2.216 86.650 ( -0.176 2.459 1.196) 2.740 87.273 ( -14.178 -4.805 2.207) 15.132 87.317 ( -13.958 -6.839 -4.452) 16.169 89.304 ( 1.964 -0.962 0.187) 2.195 89.380 ( 2.414 -1.508 1.781) 3.358 89.553 ( 0.674 -1.577 2.339) 2.901 89.665 ( 2.251 0.375 1.493) 2.727 90.269 ( -1.192 -1.728 15.498) 15.640 90.517 ( 5.134 -3.537 -14.968) 16.214 90.732 ( -5.303 -4.306 13.582) 15.203 91.153 ( 7.546 -4.941 -19.782) 21.742 92.082 ( -2.719 2.771 12.228) 12.830 92.499 ( 8.867 2.811 -6.748) 11.492 93.000 ( -2.436 -2.552 9.217) 9.869 93.076 ( -1.703 0.255 -16.628) 16.716 95.738 ( -3.576 6.198 13.210) 15.024 95.869 ( 0.814 6.237 -3.668) 7.281 96.084 ( -1.093 -5.603 6.815) 8.890 96.167 ( 2.109 -3.069 -11.020) 11.632 96.669 ( 0.786 0.746 10.138) 10.195 96.956 ( 5.583 3.149 -6.640) 9.229 97.499 ( -7.898 7.042 21.295) 23.779 98.101 ( 10.344 9.148 -26.226) 29.639 ======================= Grid point 220 (118/125) ======================= q-point: (-0.14 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -4.497 24.982 18.681) 31.517 2.871 ( -1.914 11.879 -3.921) 12.655 3.099 ( 0.773 2.628 1.931) 3.352 3.345 ( -2.070 -4.943 1.455) 5.553 3.629 ( -1.688 1.573 -0.980) 2.507 3.717 ( 3.211 -3.410 -6.627) 8.115 3.992 ( 3.729 -8.127 -2.905) 9.402 4.150 ( 9.755 -8.132 9.334) 15.761 4.338 ( -8.563 1.590 9.380) 12.800 4.425 ( -11.591 -2.383 1.793) 11.968 4.694 ( 3.713 5.616 -2.691) 7.250 4.786 ( -0.925 2.519 -3.543) 4.444 4.885 ( -3.406 -2.135 5.253) 6.615 4.995 ( -11.551 2.322 -0.346) 11.787 5.131 ( -5.235 4.091 7.498) 10.018 5.304 ( 0.244 0.700 -10.964) 10.989 5.338 ( -2.324 -1.850 9.357) 9.817 5.410 ( -0.532 5.249 -7.670) 9.310 5.528 ( 1.812 0.647 -14.374) 14.502 5.664 ( -5.458 -8.634 -5.082) 11.409 5.975 ( 1.609 -1.394 2.841) 3.550 6.096 ( -3.167 0.617 -0.178) 3.232 6.267 ( -1.894 -2.134 -3.869) 4.808 6.321 ( -3.183 -4.188 -2.919) 6.016 6.534 ( 5.628 -4.829 -5.068) 8.982 6.684 ( -2.411 1.397 11.982) 12.302 6.700 ( 0.670 -2.891 -3.571) 4.643 6.801 ( -7.961 -4.423 5.086) 10.431 7.136 ( -2.006 1.911 8.032) 8.496 7.320 ( 4.335 9.520 -7.704) 12.991 7.486 ( -1.211 -1.958 6.109) 6.528 7.647 ( 9.165 -7.974 4.558) 12.975 7.806 ( 1.701 1.463 -5.728) 6.152 8.297 ( -2.408 -2.838 -6.180) 7.215 8.340 ( -1.874 0.972 -1.031) 2.350 8.435 ( -5.069 -1.567 5.170) 7.408 9.133 ( 17.200 -2.181 -3.495) 17.686 9.404 ( 4.883 -0.048 -5.695) 7.502 9.722 ( 17.147 4.262 1.714) 17.751 9.963 ( 8.295 -1.640 1.276) 8.552 10.535 ( -2.072 7.535 5.891) 9.786 10.594 ( -0.866 7.391 -4.581) 8.738 11.973 ( 4.497 3.656 -1.201) 5.919 12.181 ( -3.845 -6.153 -0.288) 7.261 12.546 ( -1.538 4.896 1.965) 5.495 12.644 ( -3.539 4.045 1.154) 5.497 12.864 ( -0.465 -1.735 1.140) 2.127 12.954 ( -1.506 2.167 -3.088) 4.062 13.403 ( 4.791 0.244 5.562) 7.345 13.657 ( 2.024 -0.505 -4.861) 5.290 15.536 ( -2.571 -0.117 0.691) 2.665 15.559 ( -3.212 -1.371 -0.119) 3.494 15.723 ( 3.237 -1.026 -2.290) 4.096 15.815 ( -1.657 -1.088 -1.340) 2.393 16.124 ( -1.532 -1.553 7.215) 7.538 16.360 ( -0.110 2.210 -7.004) 7.345 16.372 ( 1.028 -1.059 3.801) 4.078 16.614 ( 1.423 -4.439 -7.111) 8.503 16.650 ( -2.680 -3.880 7.754) 9.076 16.716 ( 2.100 -0.182 -6.549) 6.879 17.242 ( 2.864 1.265 -2.021) 3.726 17.319 ( -1.853 0.701 3.173) 3.741 21.850 ( -0.515 -2.586 5.559) 6.153 21.931 ( 3.039 -1.997 -1.749) 4.035 22.166 ( 2.538 -2.547 3.564) 5.062 22.335 ( -4.621 -0.490 -3.078) 5.574 22.395 ( 0.678 2.424 1.532) 2.947 22.504 ( 3.059 -2.416 -3.238) 5.068 22.627 ( -0.058 -1.386 5.369) 5.546 22.907 ( 3.213 -2.719 -3.487) 5.466 22.959 ( -4.932 4.241 -1.198) 6.614 23.078 ( -3.096 -1.082 3.445) 4.756 23.511 ( 0.762 -1.261 2.173) 2.625 23.697 ( -3.687 1.337 -4.906) 6.280 23.929 ( 2.933 0.638 1.278) 3.262 24.007 ( -3.465 -0.121 7.683) 8.429 24.573 ( -0.296 0.063 4.454) 4.464 24.775 ( 3.421 -0.018 -14.527) 14.925 25.190 ( -6.690 -2.395 5.507) 8.990 25.279 ( -0.005 -6.548 -11.001) 12.803 25.876 ( -2.739 -1.821 12.603) 13.025 26.107 ( 2.312 -0.089 -10.116) 10.377 27.022 ( 0.258 2.012 10.445) 10.640 27.343 ( -1.698 -2.479 2.160) 3.701 27.507 ( -3.299 4.255 -7.178) 8.973 27.590 ( -11.117 1.126 -0.781) 11.201 27.625 ( 1.570 -4.420 3.837) 6.060 28.109 ( -12.291 -10.140 -5.154) 16.747 28.271 ( 6.200 7.233 -4.599) 10.579 28.413 ( -3.451 -0.638 4.918) 6.042 28.766 ( 1.961 -0.954 -4.518) 5.017 28.942 ( 1.022 -10.811 -8.668) 13.894 29.774 ( 6.647 -4.188 14.643) 16.618 30.095 ( 8.960 7.652 -2.154) 11.978 30.166 ( 3.323 6.005 5.160) 8.586 30.315 ( -4.009 1.333 0.140) 4.227 30.448 ( 7.198 0.982 -9.563) 12.009 30.750 ( -5.367 4.102 3.638) 7.672 31.087 ( 3.704 -0.867 -3.393) 5.097 31.368 ( -5.324 4.249 -1.145) 6.908 31.990 ( 11.142 7.724 -3.264) 13.945 32.234 ( -4.391 6.961 8.656) 11.944 32.968 ( 5.229 1.077 8.261) 9.836 33.404 ( 7.357 5.097 1.283) 9.041 33.472 ( -4.882 0.959 -3.687) 6.192 33.615 ( -0.387 -4.809 -6.943) 8.454 34.627 ( -0.476 -2.384 12.684) 12.914 34.993 ( -0.587 1.974 -9.481) 9.702 35.073 ( 3.085 -0.122 -5.038) 5.909 35.205 ( -8.174 -0.800 2.581) 8.609 36.841 ( -1.888 5.997 11.336) 12.963 37.045 ( 2.834 7.057 -6.618) 10.081 37.745 ( -6.716 -5.041 10.491) 13.437 37.825 ( -0.182 -0.841 -6.483) 6.540 38.085 ( 0.612 0.540 3.648) 3.739 38.130 ( 3.779 -1.638 0.346) 4.133 38.378 ( -3.608 3.981 1.452) 5.565 38.463 ( -0.247 -1.069 -12.422) 12.470 38.737 ( 3.705 -4.005 6.238) 8.287 39.017 ( -1.292 -4.079 -5.339) 6.842 39.497 ( 5.253 -0.294 -3.310) 6.216 39.543 ( 1.726 0.863 0.298) 1.953 49.142 ( 0.427 -1.404 1.735) 2.272 49.198 ( 0.513 -1.585 -2.134) 2.707 49.556 ( -0.442 1.042 1.070) 1.557 49.595 ( -0.989 0.954 -0.921) 1.655 86.598 ( 3.286 1.875 -1.714) 4.153 86.652 ( -0.218 1.890 1.857) 2.659 87.005 ( -11.277 -2.422 -3.276) 11.990 87.062 ( -13.651 -4.245 2.849) 14.576 89.350 ( 2.766 -1.231 -0.232) 3.037 89.410 ( -0.060 -1.584 1.065) 1.909 89.603 ( 3.046 -1.750 2.603) 4.372 89.694 ( 0.094 0.262 1.072) 1.108 90.307 ( -1.972 -3.539 13.054) 13.668 90.538 ( 4.273 -6.582 -14.929) 16.866 90.721 ( -4.150 -1.917 19.636) 20.161 91.189 ( 6.901 -3.440 -22.421) 23.710 92.135 ( 1.341 2.315 15.300) 15.533 92.616 ( 6.047 3.211 -7.888) 10.445 92.960 ( -2.731 -1.952 -2.596) 4.244 92.971 ( -3.143 -1.142 -6.815) 7.591 95.717 ( -5.098 5.696 13.035) 15.111 95.863 ( 0.966 6.541 -5.040) 8.314 96.081 ( -1.946 -5.340 5.221) 7.718 96.176 ( 3.736 -3.966 -9.736) 11.157 96.768 ( 3.217 1.524 12.192) 12.701 97.015 ( 3.734 3.184 -6.068) 7.804 97.467 ( -6.395 7.011 23.929) 25.742 98.132 ( 6.966 8.286 -30.669) 32.524 ======================= Grid point 221 (119/125) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 1.776 0.000 16.980) 17.072 3.028 ( 3.442 -0.000 -11.283) 11.797 3.165 ( 17.653 0.000 0.250) 17.655 3.202 ( -12.702 0.000 -3.191) 13.096 3.579 ( -9.245 0.000 -0.041) 9.245 3.643 ( 6.635 -0.000 -5.404) 8.557 4.059 ( -15.902 0.000 0.985) 15.932 4.101 ( 14.534 0.000 -0.995) 14.568 4.327 ( 13.070 0.000 8.759) 15.734 4.348 ( -4.950 0.000 10.939) 12.007 4.626 ( -6.939 0.000 -3.353) 7.707 4.748 ( -8.013 0.000 -10.722) 13.386 4.926 ( 1.880 0.000 7.532) 7.763 4.942 ( 6.120 0.000 0.865) 6.181 5.099 ( -10.167 -0.000 1.175) 10.234 5.209 ( -7.114 0.000 17.631) 19.012 5.361 ( -8.096 0.000 10.860) 13.546 5.363 ( 7.443 -0.000 -19.547) 20.916 5.461 ( 5.340 0.000 -5.341) 7.553 5.655 ( 8.576 0.000 -15.255) 17.501 5.928 ( -2.957 0.000 4.988) 5.798 6.048 ( -1.340 0.000 -5.566) 5.725 6.179 ( -3.138 0.000 4.412) 5.414 6.242 ( -0.004 0.000 -2.126) 2.126 6.529 ( -8.408 0.000 4.400) 9.490 6.614 ( 7.917 0.000 -1.235) 8.013 6.671 ( -2.257 0.000 -0.018) 2.257 6.733 ( 3.047 0.000 -3.300) 4.491 7.213 ( -0.408 0.000 14.310) 14.316 7.485 ( 2.152 0.000 -9.570) 9.809 7.621 ( 7.478 0.000 1.943) 7.727 7.648 ( 3.401 0.000 3.525) 4.898 7.906 ( 6.944 0.000 0.858) 6.996 7.975 ( -16.732 -0.000 -6.512) 17.954 8.345 ( -7.513 0.000 6.388) 9.861 8.449 ( 7.560 0.000 -4.252) 8.674 9.310 ( 4.948 0.000 0.578) 4.982 9.373 ( -5.413 0.000 -6.199) 8.229 9.971 ( -4.755 0.000 2.415) 5.333 10.016 ( 6.025 0.000 -2.460) 6.508 10.577 ( -3.408 0.000 4.997) 6.049 10.687 ( 5.394 0.000 -6.451) 8.409 12.051 ( -0.131 0.000 0.717) 0.729 12.065 ( -0.818 0.000 -0.884) 1.204 12.593 ( 2.178 0.000 3.074) 3.767 12.630 ( -1.475 0.000 -0.876) 1.716 12.861 ( 0.677 0.000 2.951) 3.028 12.931 ( -1.259 0.000 -4.425) 4.601 13.520 ( 3.430 0.000 5.469) 6.456 13.622 ( -2.847 0.000 -5.252) 5.974 15.502 ( -0.401 0.000 1.183) 1.249 15.522 ( 0.514 0.000 -0.856) 0.998 15.751 ( -3.100 0.000 -0.761) 3.192 15.766 ( 3.425 0.000 -2.271) 4.110 16.146 ( 0.681 0.000 9.046) 9.072 16.327 ( -0.888 0.000 -9.321) 9.363 16.401 ( 0.119 0.000 6.824) 6.825 16.525 ( -3.001 0.000 -7.068) 7.679 16.596 ( -2.336 0.000 7.277) 7.643 16.752 ( 5.479 0.000 -8.610) 10.206 17.281 ( -4.150 0.000 2.338) 4.763 17.323 ( 4.883 0.000 -1.953) 5.259 21.847 ( -0.601 0.000 6.224) 6.253 21.951 ( 2.269 0.000 -4.256) 4.824 22.184 ( 1.344 0.000 3.193) 3.464 22.249 ( -2.018 0.000 -3.638) 4.161 22.407 ( -2.536 0.000 4.455) 5.126 22.494 ( 0.092 0.000 -4.716) 4.717 22.708 ( 5.817 0.000 8.372) 10.194 22.852 ( -6.655 0.000 -6.314) 9.173 22.990 ( -5.800 -0.000 1.676) 6.038 22.996 ( 8.025 0.000 0.760) 8.061 23.543 ( 2.299 0.000 2.665) 3.520 23.603 ( -4.735 0.000 -2.499) 5.354 23.956 ( -5.270 0.000 5.837) 7.864 24.013 ( 3.626 0.000 1.183) 3.815 24.599 ( 0.678 0.000 2.927) 3.005 24.757 ( 2.451 0.000 -12.678) 12.913 25.037 ( -10.391 0.000 9.374) 13.995 25.253 ( 9.590 0.000 -12.807) 15.999 25.864 ( -2.860 0.000 12.649) 12.969 26.107 ( 3.225 0.000 -11.159) 11.616 27.150 ( 2.900 0.000 14.330) 14.621 27.377 ( 6.256 0.000 -3.863) 7.352 27.406 ( -6.652 -0.000 0.081) 6.652 27.467 ( -1.990 0.000 -11.339) 11.512 27.689 ( 7.295 -0.000 6.190) 9.567 27.790 ( -6.555 0.000 -3.576) 7.467 28.340 ( -5.930 0.000 7.484) 9.548 28.499 ( 10.061 0.000 -10.124) 14.273 28.691 ( -4.902 0.000 1.453) 5.113 28.811 ( 2.604 0.000 -11.515) 11.806 29.924 ( 4.702 0.000 18.832) 19.411 30.168 ( -7.893 0.000 -5.364) 9.543 30.244 ( -4.715 0.000 1.793) 5.044 30.279 ( 3.142 0.000 -2.404) 3.957 30.628 ( 11.708 -0.000 -2.895) 12.061 30.648 ( -8.131 0.000 -3.916) 9.025 31.201 ( 7.066 0.000 3.723) 7.987 31.270 ( -8.087 0.000 -2.779) 8.552 32.202 ( -10.856 0.000 7.911) 13.433 32.291 ( 11.457 0.000 -2.337) 11.693 33.089 ( 2.453 0.000 12.839) 13.071 33.340 ( -6.425 0.000 -12.110) 13.709 33.506 ( -3.845 0.000 2.597) 4.640 33.587 ( 8.302 0.000 -6.160) 10.338 34.676 ( 1.817 0.000 13.727) 13.847 34.906 ( -2.135 0.000 -10.173) 10.395 35.048 ( -9.374 0.000 6.134) 11.203 35.177 ( 8.399 0.000 -7.483) 11.249 36.934 ( -2.138 0.000 13.188) 13.360 37.150 ( 2.497 0.000 -8.278) 8.647 37.619 ( -5.108 0.000 11.450) 12.538 37.803 ( 3.389 0.000 -7.819) 8.521 38.116 ( 1.509 0.000 4.685) 4.922 38.170 ( 0.950 0.000 -0.325) 1.004 38.322 ( -7.211 0.000 1.010) 7.282 38.438 ( 4.790 0.000 -10.455) 11.500 38.788 ( 3.165 0.000 6.046) 6.825 38.912 ( -1.732 0.000 -6.882) 7.097 39.541 ( -3.319 0.000 0.153) 3.323 39.564 ( 2.668 0.000 -2.011) 3.341 49.142 ( 0.065 0.000 1.649) 1.650 49.177 ( -0.070 0.000 -1.962) 1.964 49.569 ( 0.210 0.000 1.127) 1.146 49.588 ( -0.257 0.000 -0.893) 0.929 86.649 ( -4.030 0.000 2.994) 5.021 86.709 ( 4.632 0.000 -3.166) 5.610 86.858 ( -2.045 0.000 1.184) 2.363 86.884 ( 2.312 0.000 -1.465) 2.737 89.376 ( -2.036 0.000 0.275) 2.055 89.385 ( 2.480 0.000 -0.570) 2.544 89.657 ( 3.097 0.000 1.922) 3.645 89.675 ( -2.303 0.000 -0.200) 2.311 90.238 ( -6.269 0.000 13.091) 14.515 90.519 ( 7.616 0.000 -16.723) 18.376 90.701 ( -6.552 0.000 23.608) 24.501 91.172 ( 6.166 0.000 -25.192) 25.935 92.284 ( 3.588 0.000 18.077) 18.430 92.634 ( -1.703 0.000 -17.493) 17.576 92.836 ( -8.190 0.000 5.701) 9.979 92.960 ( 6.382 0.000 -7.791) 10.071 95.744 ( -6.715 0.000 17.468) 18.714 95.949 ( 0.666 0.000 -3.060) 3.132 95.982 ( -2.500 0.000 3.966) 4.688 96.161 ( 7.079 -0.000 -15.846) 17.356 96.881 ( -0.561 0.000 12.493) 12.506 97.066 ( 1.105 0.000 -7.027) 7.114 97.559 ( -4.395 0.000 29.177) 29.506 98.152 ( 3.385 0.000 -32.495) 32.671 ======================= Grid point 223 (120/125) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 6.425 0.000 9.695) 11.631 2.971 ( -7.456 -0.000 -6.742) 10.052 3.053 ( 6.048 0.000 -15.303) 16.455 3.398 ( 2.427 0.000 -5.236) 5.771 3.505 ( 2.834 0.000 4.529) 5.343 3.731 ( 2.243 -0.000 -1.526) 2.713 3.789 ( -12.571 0.000 1.459) 12.656 4.244 ( -5.924 0.000 -5.296) 7.947 4.361 ( 12.890 0.000 -1.656) 12.996 4.557 ( 5.672 -0.000 -1.212) 5.800 4.616 ( 2.030 0.000 18.161) 18.275 4.663 ( 5.539 0.000 5.425) 7.753 4.896 ( -10.407 0.000 8.681) 13.552 5.014 ( 2.835 0.000 0.917) 2.980 5.030 ( 4.761 0.000 -7.879) 9.206 5.213 ( 0.408 0.000 13.131) 13.137 5.292 ( -5.181 0.000 13.168) 14.151 5.441 ( 7.740 0.000 -14.710) 16.622 5.570 ( 9.807 0.000 -8.988) 13.302 5.693 ( 4.088 0.000 -9.476) 10.320 5.960 ( 1.266 0.000 9.920) 10.001 6.020 ( -0.318 0.000 -3.536) 3.550 6.176 ( 1.598 -0.000 6.930) 7.112 6.253 ( 2.019 0.000 -1.228) 2.363 6.431 ( -3.824 0.000 0.790) 3.905 6.594 ( -3.954 0.000 1.975) 4.420 6.783 ( 2.610 0.000 1.729) 3.131 6.809 ( 11.868 -0.000 -3.783) 12.456 7.267 ( 0.281 0.000 6.623) 6.629 7.493 ( 3.697 0.000 -10.986) 11.591 7.597 ( -19.034 0.000 -7.219) 20.357 7.654 ( -1.511 0.000 -6.726) 6.893 7.712 ( 1.211 0.000 4.065) 4.242 8.075 ( 7.088 0.000 8.770) 11.276 8.244 ( -6.047 0.000 7.913) 9.959 8.561 ( 6.413 0.000 -5.722) 8.595 9.127 ( -17.753 0.000 -5.293) 18.525 9.309 ( -5.173 0.000 2.249) 5.641 9.811 ( -11.676 0.000 0.859) 11.708 9.954 ( -10.949 0.000 -2.395) 11.208 10.569 ( -0.115 0.000 4.517) 4.518 10.764 ( 5.590 0.000 -8.514) 10.185 12.039 ( -1.568 0.000 0.669) 1.704 12.061 ( 0.966 0.000 0.191) 0.985 12.637 ( 2.537 0.000 -1.472) 2.933 12.685 ( 5.832 0.000 1.688) 6.072 12.892 ( -0.728 0.000 -3.455) 3.531 12.893 ( 1.255 0.000 3.642) 3.852 13.509 ( -6.228 0.000 -5.551) 8.343 13.570 ( -0.760 0.000 4.617) 4.679 15.531 ( 2.872 0.000 0.683) 2.952 15.556 ( 3.245 0.000 -0.458) 3.277 15.693 ( -2.323 0.000 -0.913) 2.496 15.806 ( 1.743 0.000 -1.628) 2.385 16.210 ( 1.350 0.000 9.378) 9.475 16.278 ( 0.188 0.000 -8.272) 8.274 16.403 ( -4.072 0.000 8.858) 9.749 16.439 ( -2.533 0.000 -5.538) 6.090 16.602 ( -0.119 0.000 4.931) 4.932 16.805 ( 4.822 0.000 -10.373) 11.439 17.212 ( -3.937 0.000 2.074) 4.449 17.393 ( 3.558 0.000 -3.168) 4.764 21.843 ( -2.451 0.000 4.415) 5.050 21.948 ( 0.576 0.000 -6.425) 6.450 22.223 ( -0.085 0.000 -3.829) 3.830 22.243 ( 2.799 0.000 4.082) 4.949 22.371 ( -3.715 0.000 6.381) 7.384 22.460 ( -0.995 0.000 -1.731) 1.996 22.729 ( -3.003 0.000 -5.727) 6.467 22.806 ( -2.064 0.000 5.639) 6.005 22.946 ( 3.324 0.000 2.159) 3.964 23.139 ( 6.561 0.000 -2.122) 6.896 23.535 ( -1.521 0.000 -0.987) 1.813 23.602 ( 2.086 0.000 5.111) 5.521 23.879 ( -5.532 0.000 5.344) 7.692 24.064 ( 0.745 0.000 2.212) 2.334 24.620 ( -0.094 0.000 3.276) 3.277 24.754 ( 3.938 0.000 -13.734) 14.287 24.913 ( -7.522 0.000 11.229) 13.515 25.395 ( 11.378 0.000 -11.497) 16.176 25.876 ( -1.979 0.000 11.428) 11.598 26.120 ( 3.953 0.000 -12.233) 12.856 27.250 ( 2.422 0.000 7.212) 7.608 27.281 ( -6.520 0.000 -13.012) 14.554 27.407 ( 4.109 -0.000 6.406) 7.610 27.600 ( 11.423 0.000 0.623) 11.440 27.736 ( 5.553 0.000 -8.910) 10.499 27.871 ( 8.895 0.000 6.477) 11.003 28.256 ( -5.242 0.000 3.067) 6.073 28.617 ( -4.654 0.000 6.071) 7.649 28.621 ( 8.673 -0.000 -12.229) 14.993 28.814 ( 2.342 0.000 -7.187) 7.559 29.971 ( -9.094 0.000 -8.194) 12.241 29.976 ( -11.390 0.000 17.598) 20.962 30.215 ( 2.794 0.000 6.017) 6.634 30.277 ( -2.911 0.000 -1.275) 3.178 30.470 ( -8.062 -0.000 -7.105) 10.746 30.842 ( 12.331 0.000 0.165) 12.332 31.083 ( -10.323 0.000 -4.020) 11.078 31.339 ( 5.764 0.000 5.395) 7.895 32.008 ( -12.893 0.000 4.608) 13.692 32.448 ( 5.925 0.000 -3.083) 6.679 33.152 ( -7.669 0.000 -9.727) 12.386 33.165 ( -1.843 0.000 15.703) 15.811 33.453 ( -1.930 0.000 -0.162) 1.937 33.690 ( 6.490 0.000 -8.348) 10.574 34.782 ( 1.044 0.000 13.893) 13.932 34.844 ( 0.632 0.000 -11.182) 11.200 34.930 ( -4.863 0.000 6.514) 8.129 35.299 ( 7.987 0.000 -5.626) 9.770 36.940 ( -3.676 0.000 11.781) 12.341 37.140 ( 1.444 0.000 -10.413) 10.513 37.624 ( 0.034 0.000 10.780) 10.780 37.843 ( 3.443 0.000 -5.311) 6.329 38.148 ( -5.202 0.000 -2.100) 5.610 38.172 ( 1.234 0.000 -3.719) 3.918 38.215 ( -0.676 0.000 10.195) 10.217 38.505 ( 6.115 0.000 -6.946) 9.254 38.852 ( -0.612 -0.000 -9.054) 9.075 38.859 ( 1.274 0.000 6.022) 6.156 39.446 ( -6.759 0.000 1.506) 6.925 39.565 ( -1.724 0.000 -1.261) 2.136 49.143 ( -0.831 0.000 1.899) 2.073 49.164 ( -0.156 0.000 -2.072) 2.077 49.582 ( 0.490 0.000 1.305) 1.394 49.589 ( 0.856 0.000 -1.102) 1.395 86.585 ( -2.828 0.000 1.641) 3.270 86.698 ( -1.276 0.000 -0.710) 1.460 86.999 ( 13.192 0.000 -1.758) 13.309 87.025 ( 11.987 0.000 -1.232) 12.050 89.332 ( -2.498 0.000 0.070) 2.499 89.416 ( 1.107 0.000 -1.102) 1.562 89.619 ( -3.223 0.000 -0.819) 3.325 89.698 ( 0.443 0.000 0.395) 0.594 90.178 ( -6.388 0.000 12.846) 14.347 90.584 ( 7.684 0.000 -17.255) 18.888 90.685 ( -7.243 0.000 24.731) 25.770 91.143 ( 3.403 0.000 -25.038) 25.268 92.428 ( 2.105 0.000 15.034) 15.181 92.496 ( -2.709 0.000 -18.627) 18.823 92.711 ( -7.516 0.000 8.805) 11.577 93.063 ( 7.159 0.000 -6.056) 9.377 95.709 ( -6.174 0.000 19.298) 20.261 95.950 ( 0.871 0.000 -2.709) 2.846 95.957 ( -1.932 -0.000 3.094) 3.647 96.226 ( 7.629 0.000 -15.500) 17.276 96.882 ( -4.651 0.000 10.775) 11.736 97.012 ( -2.914 0.000 -9.163) 9.615 97.624 ( -4.289 0.000 29.944) 30.249 98.064 ( 3.552 0.000 -29.500) 29.713 ======================= Grid point 225 (121/125) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 1.182 0.000 -7.392) 7.486 3.071 ( 8.610 -0.000 2.379) 8.933 3.085 ( 2.708 0.000 -9.996) 10.356 3.337 ( -7.811 0.000 -0.359) 7.820 3.527 ( 3.551 0.000 -2.801) 4.523 3.653 ( -9.087 0.000 0.488) 9.100 3.667 ( -2.606 -0.000 -1.281) 2.904 4.142 ( -5.327 0.000 -3.283) 6.258 4.511 ( 4.205 0.000 2.809) 5.057 4.611 ( 1.556 0.000 2.512) 2.954 4.713 ( 1.851 0.000 -5.707) 5.999 4.837 ( 4.603 0.000 2.313) 5.151 4.939 ( 6.787 0.000 28.853) 29.640 5.017 ( -4.473 0.000 10.232) 11.167 5.087 ( 8.097 0.000 -12.033) 14.504 5.348 ( 8.843 -0.000 5.099) 10.207 5.350 ( 6.782 0.000 6.886) 9.664 5.476 ( 4.866 0.000 -10.059) 11.174 5.722 ( 10.869 0.000 -10.090) 14.831 5.764 ( 2.419 0.000 3.545) 4.292 5.972 ( -3.200 0.000 -2.701) 4.187 6.028 ( 2.760 0.000 7.742) 8.219 6.296 ( 2.843 0.000 -3.075) 4.188 6.324 ( 9.222 0.000 7.205) 11.703 6.381 ( -1.266 0.000 -2.336) 2.657 6.546 ( -2.303 0.000 4.438) 5.000 6.835 ( -0.024 0.000 8.501) 8.501 6.996 ( 9.053 0.000 -4.118) 9.946 7.149 ( -13.481 0.000 -10.813) 17.282 7.362 ( -3.393 0.000 8.105) 8.786 7.448 ( -7.310 0.000 -8.329) 11.082 7.609 ( 5.641 0.000 -11.164) 12.509 7.766 ( 3.996 0.000 1.108) 4.147 8.177 ( 0.333 0.000 6.141) 6.150 8.235 ( -2.205 0.000 14.141) 14.311 8.609 ( 2.038 0.000 -8.842) 9.073 8.736 ( -18.499 0.000 -6.803) 19.710 9.160 ( -11.611 0.000 1.002) 11.654 9.601 ( -10.152 0.000 -0.290) 10.156 9.676 ( -15.829 -0.000 -0.783) 15.848 10.584 ( -1.266 0.000 6.303) 6.429 10.799 ( 3.113 0.000 -10.384) 10.841 12.019 ( -1.336 -0.000 2.474) 2.812 12.083 ( 1.735 0.000 -2.244) 2.836 12.689 ( 2.961 0.000 -0.087) 2.962 12.784 ( 3.629 0.000 -0.785) 3.713 12.887 ( 2.067 0.000 -2.700) 3.400 12.950 ( 2.947 0.000 4.436) 5.325 13.367 ( -5.659 0.000 -4.553) 7.264 13.533 ( -4.988 0.000 2.931) 5.785 15.596 ( 3.636 0.000 -0.545) 3.677 15.608 ( 0.879 0.000 1.507) 1.744 15.682 ( 2.884 0.000 -2.579) 3.869 15.811 ( -0.674 0.000 -0.590) 0.896 16.263 ( 2.016 0.000 -6.564) 6.867 16.264 ( -1.365 -0.000 9.302) 9.401 16.355 ( -3.968 0.000 7.733) 8.692 16.393 ( 0.121 0.000 -4.662) 4.663 16.619 ( -1.091 0.000 5.013) 5.130 16.829 ( 3.407 0.000 -11.700) 12.186 17.176 ( -1.036 0.000 3.451) 3.604 17.415 ( 0.831 0.000 -4.875) 4.945 21.812 ( -2.472 0.000 3.486) 4.273 21.932 ( 1.038 0.000 -6.315) 6.400 22.168 ( -2.732 0.000 -6.458) 7.012 22.231 ( -7.006 0.000 4.854) 8.523 22.399 ( 3.920 0.000 5.434) 6.701 22.485 ( 3.171 0.000 1.731) 3.613 22.695 ( 1.776 0.000 -3.871) 4.259 22.769 ( -2.488 0.000 4.193) 4.876 23.038 ( 2.438 0.000 3.574) 4.326 23.190 ( 1.220 0.000 -6.266) 6.384 23.538 ( 2.413 0.000 -1.869) 3.053 23.652 ( -0.340 0.000 6.320) 6.329 23.826 ( -2.573 0.000 6.909) 7.372 24.057 ( -2.704 0.000 2.723) 3.838 24.625 ( -1.293 0.000 4.327) 4.516 24.774 ( 5.143 0.000 -14.077) 14.987 24.893 ( -1.079 0.000 16.059) 16.095 25.537 ( 9.502 0.000 -13.070) 16.159 25.887 ( -2.328 0.000 9.245) 9.534 26.125 ( 2.913 0.000 -14.512) 14.802 27.116 ( -5.161 0.000 -6.216) 8.079 27.330 ( 3.436 0.000 -0.547) 3.480 27.519 ( 2.558 -0.000 9.504) 9.842 27.709 ( 5.108 0.000 -7.277) 8.890 27.975 ( 19.041 0.000 -6.226) 20.033 28.025 ( 1.830 0.000 8.649) 8.840 28.253 ( 7.133 0.000 0.672) 7.165 28.581 ( -3.286 0.000 9.596) 10.143 28.702 ( 6.568 0.000 -13.616) 15.117 28.814 ( 0.402 0.000 -5.493) 5.508 29.764 ( -17.853 0.000 15.828) 23.859 29.780 ( -6.658 0.000 -9.223) 11.375 30.172 ( -7.152 0.000 -1.088) 7.234 30.219 ( -7.720 -0.000 -0.942) 7.778 30.402 ( 4.602 0.000 2.970) 5.477 30.871 ( -10.416 0.000 -1.219) 10.487 31.083 ( 13.749 0.000 -1.091) 13.793 31.478 ( 6.713 0.000 7.303) 9.920 31.788 ( -12.333 0.000 1.977) 12.491 32.422 ( -7.596 0.000 -5.852) 9.589 33.028 ( -0.444 0.000 -6.028) 6.044 33.156 ( -6.134 0.000 12.536) 13.957 33.450 ( 1.098 0.000 2.084) 2.355 33.744 ( 3.959 0.000 -10.092) 10.841 34.748 ( -8.078 0.000 11.098) 13.727 34.823 ( 2.946 0.000 -12.031) 12.386 35.022 ( 7.481 0.000 9.679) 12.233 35.403 ( 5.148 0.000 -4.124) 6.596 36.912 ( -4.535 0.000 9.533) 10.557 37.110 ( 0.742 0.000 -11.748) 11.771 37.713 ( 4.305 0.000 9.647) 10.564 37.864 ( 0.921 0.000 -2.137) 2.327 37.998 ( -8.203 0.000 1.894) 8.418 38.177 ( 0.509 0.000 -4.609) 4.637 38.308 ( 3.600 0.000 8.904) 9.604 38.587 ( 5.968 0.000 -6.713) 8.982 38.820 ( 2.820 0.000 -11.308) 11.654 38.879 ( -2.870 0.000 7.163) 7.717 39.337 ( -5.267 0.000 2.375) 5.778 39.496 ( -4.669 0.000 -1.358) 4.862 49.132 ( -1.366 0.000 2.199) 2.589 49.155 ( 0.323 0.000 -2.347) 2.370 49.595 ( 0.091 0.000 1.641) 1.644 49.606 ( 1.443 0.000 -1.440) 2.039 86.575 ( 0.887 0.000 1.179) 1.475 86.689 ( -0.082 0.000 0.092) 0.123 87.242 ( 13.171 0.000 -2.543) 13.414 87.258 ( 12.788 -0.000 -1.733) 12.905 89.294 ( -1.552 0.000 0.036) 1.552 89.405 ( -1.708 0.000 -2.337) 2.895 89.564 ( -1.978 0.000 -0.475) 2.034 89.674 ( -3.009 0.000 0.632) 3.075 90.138 ( -4.621 0.000 14.361) 15.086 90.627 ( 6.149 0.000 -20.279) 21.191 90.671 ( -6.285 0.000 23.241) 24.076 91.076 ( 1.928 0.000 -22.672) 22.754 92.390 ( 0.303 0.000 -16.079) 16.082 92.411 ( -8.137 0.000 5.056) 9.580 92.729 ( 1.658 0.000 18.372) 18.446 93.148 ( 5.409 0.000 -7.893) 9.569 95.703 ( -4.456 0.000 20.871) 21.342 95.941 ( -1.480 0.000 3.291) 3.608 95.955 ( 0.898 0.000 -2.318) 2.485 96.280 ( 5.696 0.000 -16.929) 17.861 96.826 ( -6.381 0.000 9.899) 11.778 96.901 ( -2.819 0.000 -10.603) 10.971 97.661 ( -6.432 0.000 27.831) 28.565 98.026 ( 6.029 0.000 -24.726) 25.450 ======================= Grid point 227 (122/125) ======================= q-point: ( 0.43 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 5.937 0.000 -5.067) 7.805 3.034 ( -5.480 0.000 -4.244) 6.931 3.184 ( -6.124 0.000 3.562) 7.085 3.215 ( 6.438 -0.000 -4.360) 7.775 3.506 ( -4.894 0.000 2.952) 5.715 3.542 ( -2.680 -0.000 -1.387) 3.018 3.767 ( 15.924 -0.000 -7.535) 17.617 3.943 ( -15.583 0.000 2.343) 15.758 4.585 ( 1.784 0.000 5.661) 5.935 4.606 ( -4.753 0.000 7.428) 8.818 4.740 ( 3.689 0.000 -5.429) 6.563 4.836 ( -1.709 0.000 -6.190) 6.422 4.950 ( -4.379 0.000 8.007) 9.127 5.168 ( 6.320 -0.000 -14.742) 16.040 5.244 ( 7.501 0.000 27.180) 28.196 5.498 ( 6.815 -0.000 -0.526) 6.835 5.540 ( 7.926 0.000 3.653) 8.727 5.588 ( 3.687 0.000 2.690) 4.564 5.798 ( 2.909 -0.000 1.880) 3.464 5.800 ( -0.266 0.000 -4.267) 4.275 5.964 ( 7.382 0.000 -5.902) 9.451 6.053 ( -5.866 0.000 0.234) 5.871 6.298 ( 0.105 0.000 -6.066) 6.067 6.314 ( -3.495 0.000 -5.130) 6.208 6.560 ( 10.185 -0.000 7.629) 12.725 6.569 ( 1.143 0.000 7.484) 7.571 6.846 ( -2.898 0.000 15.979) 16.240 6.957 ( -1.113 0.000 -9.236) 9.303 7.061 ( 0.691 0.000 -6.644) 6.680 7.201 ( -13.597 0.000 -7.197) 15.384 7.379 ( -0.194 0.000 11.708) 11.709 7.720 ( 9.298 0.000 -12.661) 15.708 7.904 ( 11.770 0.000 -1.141) 11.826 8.062 ( -20.850 0.000 14.211) 25.233 8.231 ( 1.890 0.000 2.963) 3.514 8.555 ( -1.968 0.000 -12.253) 12.411 8.608 ( 8.525 -0.000 -2.969) 9.028 8.899 ( -15.350 0.000 -3.612) 15.769 9.455 ( -7.460 0.000 2.581) 7.894 9.471 ( -3.268 -0.000 -0.390) 3.291 10.586 ( -1.958 0.000 8.441) 8.665 10.790 ( 1.430 0.000 -10.800) 10.894 12.014 ( -0.713 -0.000 3.538) 3.609 12.098 ( 1.403 0.000 -4.255) 4.480 12.733 ( 1.350 0.000 1.959) 2.379 12.804 ( -0.373 0.000 -1.875) 1.911 12.944 ( 5.026 0.000 -2.210) 5.490 12.990 ( -2.116 0.000 2.281) 3.111 13.319 ( 3.307 0.000 -1.521) 3.640 13.426 ( -7.257 0.000 1.094) 7.339 15.613 ( -0.345 0.000 1.545) 1.583 15.645 ( 2.211 0.000 -2.260) 3.162 15.749 ( 4.476 0.000 -2.334) 5.048 15.778 ( -2.926 0.000 0.600) 2.986 16.221 ( -6.100 0.000 8.072) 10.118 16.295 ( 4.539 0.000 -5.559) 7.177 16.357 ( -0.765 0.000 5.744) 5.795 16.397 ( 2.252 -0.000 -3.849) 4.460 16.609 ( -2.517 0.000 6.948) 7.390 16.822 ( 1.949 0.000 -12.296) 12.449 17.204 ( 1.654 0.000 5.168) 5.426 17.382 ( -1.485 0.000 -6.097) 6.275 21.800 ( -0.372 0.000 3.734) 3.753 21.916 ( -0.279 0.000 -5.589) 5.596 22.102 ( -8.313 0.000 4.770) 9.584 22.122 ( 2.200 0.000 -6.138) 6.520 22.496 ( 3.471 0.000 3.631) 5.023 22.533 ( 0.031 0.000 2.288) 2.288 22.749 ( -3.136 0.000 5.927) 6.705 22.769 ( 7.764 -0.000 -3.144) 8.377 23.046 ( -2.221 0.000 2.402) 3.272 23.146 ( -1.908 0.000 -7.230) 7.477 23.606 ( 6.031 0.000 -2.866) 6.677 23.630 ( -4.727 0.000 4.687) 6.657 23.858 ( 1.593 0.000 8.655) 8.800 23.999 ( -4.431 0.000 2.038) 4.877 24.613 ( -2.453 0.000 5.501) 6.024 24.803 ( 4.778 0.000 -13.803) 14.607 25.019 ( 4.604 0.000 20.908) 21.409 25.581 ( 2.084 0.000 -18.245) 18.363 25.873 ( -3.353 0.000 7.560) 8.270 26.096 ( 2.278 0.000 -15.356) 15.524 27.075 ( 1.797 0.000 2.367) 2.972 27.306 ( -4.528 0.000 -6.393) 7.834 27.572 ( -2.152 0.000 10.588) 10.805 27.759 ( 4.085 -0.000 -9.321) 10.177 28.083 ( 1.630 0.000 9.144) 9.288 28.246 ( 12.294 -0.000 -9.141) 15.320 28.453 ( 9.453 0.000 3.200) 9.980 28.591 ( 0.131 0.000 8.875) 8.875 28.712 ( -0.453 0.000 -11.463) 11.472 28.781 ( 0.150 0.000 -7.529) 7.531 29.515 ( -16.277 0.000 17.731) 24.070 29.683 ( 2.660 0.000 -10.814) 11.136 30.042 ( -5.680 0.000 0.392) 5.693 30.083 ( -3.847 0.000 -3.809) 5.414 30.518 ( 4.556 0.000 5.933) 7.481 30.707 ( -6.574 0.000 -1.035) 6.655 31.335 ( 13.942 0.000 -0.830) 13.967 31.550 ( -10.661 0.000 3.813) 11.322 31.701 ( 9.896 0.000 6.360) 11.764 32.154 ( -16.123 0.000 -6.903) 17.538 33.065 ( 5.758 0.000 -3.928) 6.970 33.076 ( -7.088 -0.000 7.658) 10.435 33.498 ( 1.600 0.000 5.939) 6.150 33.743 ( 1.503 0.000 -11.693) 11.789 34.655 ( -7.413 0.000 11.782) 13.920 34.839 ( 4.884 0.000 -12.448) 13.372 35.208 ( 6.957 0.000 8.997) 11.373 35.430 ( -0.604 0.000 -3.846) 3.893 36.876 ( -3.457 0.000 8.349) 9.037 37.060 ( -0.248 0.000 -10.522) 10.525 37.842 ( 1.999 0.000 6.715) 7.006 37.871 ( 0.716 0.000 0.123) 0.727 37.906 ( -0.486 0.000 5.282) 5.304 38.126 ( -3.282 0.000 -5.841) 6.700 38.410 ( 3.095 0.000 7.714) 8.312 38.632 ( 2.320 0.000 -8.781) 9.082 38.808 ( -8.610 0.000 8.761) 12.284 38.871 ( 8.207 0.000 -10.869) 13.619 39.302 ( 0.466 0.000 2.308) 2.355 39.401 ( -4.227 0.000 -1.846) 4.613 49.117 ( -1.250 0.000 2.310) 2.627 49.155 ( 0.939 0.000 -2.574) 2.740 49.598 ( -0.613 0.000 1.873) 1.971 49.624 ( 1.200 0.000 -1.634) 2.027 86.616 ( 2.515 -0.000 1.324) 2.842 86.678 ( -1.327 0.000 -0.246) 1.350 87.416 ( 5.851 0.000 -1.838) 6.133 87.430 ( 5.708 0.000 -2.327) 6.164 89.281 ( 0.300 0.000 0.100) 0.316 89.339 ( -3.569 0.000 -2.125) 4.154 89.556 ( 1.238 0.000 0.715) 1.429 89.610 ( -4.070 0.000 1.378) 4.297 90.145 ( -2.456 0.000 16.825) 17.004 90.609 ( 3.036 0.000 -23.955) 24.147 90.671 ( -4.638 0.000 19.980) 20.511 91.030 ( 4.106 0.000 -19.355) 19.786 92.267 ( -9.159 0.000 5.958) 10.927 92.363 ( 4.032 0.000 -12.765) 13.387 92.855 ( 2.114 0.000 16.934) 17.066 93.184 ( 3.226 0.000 -11.058) 11.519 95.741 ( -2.388 0.000 21.915) 22.044 95.934 ( -1.020 0.000 4.160) 4.283 95.960 ( 0.749 -0.000 -2.057) 2.189 96.258 ( 1.317 0.000 -19.617) 19.662 96.747 ( -6.893 0.000 9.304) 11.580 96.855 ( 3.152 0.000 -9.091) 9.621 97.651 ( -7.746 0.000 25.049) 26.219 98.051 ( 8.364 0.000 -22.437) 23.945 ======================= Grid point 231 (123/125) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -7.375 0.000 -1.262) 7.483 2.970 ( -1.741 -0.000 1.862) 2.549 3.139 ( -2.560 0.000 2.693) 3.716 3.271 ( 4.427 0.000 -5.312) 6.915 3.532 ( 3.608 -0.000 -0.481) 3.640 3.542 ( 5.274 0.000 3.039) 6.087 3.661 ( -13.009 -0.000 0.911) 13.041 4.027 ( 12.781 0.000 -6.094) 14.160 4.531 ( -5.876 -0.000 8.539) 10.366 4.612 ( -2.454 -0.000 6.530) 6.976 4.748 ( -4.653 0.000 -6.061) 7.641 4.786 ( 2.198 -0.000 2.174) 3.091 4.930 ( -1.385 0.000 4.916) 5.107 5.197 ( 4.427 0.000 -14.527) 15.187 5.402 ( -2.700 0.000 16.274) 16.497 5.537 ( -6.987 0.000 8.402) 10.928 5.541 ( -6.329 -0.000 -1.896) 6.607 5.596 ( -0.840 0.000 -1.835) 2.018 5.824 ( 2.422 -0.000 0.408) 2.456 5.843 ( -1.920 0.000 -18.142) 18.244 5.878 ( -4.604 0.000 1.677) 4.900 6.112 ( 9.667 0.000 -3.406) 10.249 6.231 ( -2.409 -0.000 1.215) 2.698 6.280 ( 0.338 0.000 -3.196) 3.214 6.588 ( -3.739 0.000 5.989) 7.060 6.679 ( 1.019 0.000 -2.097) 2.332 6.897 ( -14.011 -0.000 -4.940) 14.856 6.934 ( -0.597 0.000 4.597) 4.636 6.977 ( 6.360 0.000 16.407) 17.597 7.063 ( 4.109 -0.000 -5.531) 6.891 7.427 ( -2.511 0.000 12.930) 13.171 7.689 ( -5.568 0.000 -15.464) 16.436 7.842 ( -4.886 0.000 2.796) 5.630 8.179 ( 16.121 0.000 -1.374) 16.179 8.317 ( 3.690 0.000 10.645) 11.266 8.482 ( 4.369 0.000 -14.701) 15.337 8.625 ( -10.734 0.000 -6.082) 12.337 8.877 ( 18.900 0.000 -1.241) 18.940 9.428 ( 2.611 0.000 3.548) 4.405 9.487 ( 5.274 -0.000 -0.189) 5.277 10.596 ( -1.525 0.000 9.468) 9.590 10.758 ( 0.378 0.000 -9.683) 9.691 12.025 ( 0.098 -0.000 3.273) 3.275 12.095 ( 0.617 0.000 -4.755) 4.794 12.758 ( -0.002 0.000 2.845) 2.845 12.762 ( -3.338 -0.000 -1.046) 3.498 12.918 ( -4.803 0.000 0.688) 4.852 13.029 ( 4.404 0.000 -1.997) 4.836 13.302 ( -5.444 0.000 0.429) 5.461 13.439 ( 8.367 0.000 -0.441) 8.378 15.611 ( -0.789 0.000 1.091) 1.346 15.661 ( 1.232 0.000 -3.327) 3.548 15.711 ( -4.708 0.000 1.350) 4.897 15.806 ( 2.629 0.000 -1.972) 3.286 16.151 ( -5.146 0.000 7.559) 9.144 16.352 ( -1.822 -0.000 3.171) 3.657 16.375 ( 6.917 0.000 -5.979) 9.144 16.426 ( 2.324 0.000 -3.774) 4.432 16.604 ( -2.331 0.000 9.980) 10.248 16.791 ( 0.825 0.000 -11.524) 11.553 17.267 ( 2.036 0.000 5.683) 6.037 17.314 ( -2.408 0.000 -6.195) 6.647 21.825 ( 0.363 0.000 3.833) 3.850 21.881 ( -0.273 0.000 -4.671) 4.679 22.006 ( -3.766 0.000 6.057) 7.132 22.193 ( 7.529 0.000 -4.755) 8.905 22.513 ( -2.737 0.000 1.476) 3.110 22.541 ( -0.396 0.000 1.792) 1.836 22.684 ( -6.175 0.000 4.759) 7.796 22.889 ( 5.509 0.000 -7.126) 9.007 23.033 ( -0.241 -0.000 4.695) 4.701 23.089 ( -0.487 0.000 -2.939) 2.979 23.546 ( -5.537 0.000 3.348) 6.471 23.711 ( 6.227 0.000 -3.763) 7.275 23.927 ( -3.717 0.000 0.981) 3.844 23.938 ( 1.891 0.000 9.354) 9.543 24.588 ( -2.920 0.000 5.805) 6.498 24.815 ( 3.327 0.000 -13.173) 13.586 25.200 ( 2.751 0.000 20.760) 20.941 25.447 ( -4.800 0.000 -22.741) 23.242 25.847 ( -2.933 0.000 8.200) 8.709 26.090 ( 4.083 0.000 -13.161) 13.779 27.154 ( -7.424 0.000 -4.812) 8.847 27.173 ( 5.154 -0.000 6.664) 8.424 27.548 ( -5.004 0.000 10.883) 11.978 27.757 ( -0.344 0.000 -7.765) 7.772 28.108 ( -5.035 0.000 5.630) 7.553 28.311 ( 2.216 0.000 -13.981) 14.156 28.533 ( -3.762 -0.000 7.464) 8.358 28.550 ( -11.702 0.000 -7.799) 14.063 28.673 ( 4.568 0.000 4.909) 6.705 28.784 ( 4.935 0.000 -12.018) 12.992 29.407 ( -3.209 0.000 18.257) 18.536 29.789 ( 12.725 0.000 -11.182) 16.940 30.010 ( 2.146 0.000 3.596) 4.188 30.069 ( 3.782 0.000 -2.243) 4.397 30.613 ( -3.297 0.000 -2.921) 4.405 30.625 ( 4.448 -0.000 6.154) 7.594 31.347 ( -11.023 0.000 -1.016) 11.070 31.582 ( 13.197 0.000 -1.261) 13.257 31.830 ( -14.480 0.000 -5.998) 15.673 31.969 ( 12.603 0.000 12.237) 17.566 32.984 ( -5.746 0.000 4.970) 7.597 33.174 ( 7.632 0.000 -3.351) 8.336 33.550 ( 0.398 0.000 7.391) 7.401 33.693 ( -0.554 0.000 -13.017) 13.029 34.593 ( -5.583 0.000 13.082) 14.223 34.886 ( 6.445 0.000 -12.216) 13.811 35.326 ( 1.186 -0.000 7.133) 7.231 35.344 ( -6.028 0.000 -5.118) 7.908 36.867 ( -2.106 0.000 9.492) 9.722 37.026 ( 1.651 0.000 -7.300) 7.484 37.815 ( -4.094 0.000 6.433) 7.626 37.903 ( 2.741 0.000 0.881) 2.879 38.017 ( -4.744 0.000 -7.273) 8.683 38.030 ( 6.126 0.000 3.995) 7.313 38.486 ( 1.323 0.000 5.926) 6.072 38.600 ( -0.290 0.000 -11.331) 11.335 38.673 ( -9.444 0.000 9.700) 13.538 38.974 ( 6.503 0.000 -8.405) 10.627 39.349 ( 0.363 0.000 -2.728) 2.752 39.364 ( 4.742 0.000 2.082) 5.179 49.110 ( -0.667 0.000 2.206) 2.305 49.164 ( 1.300 0.000 -2.621) 2.925 49.590 ( -1.147 0.000 1.869) 2.193 49.632 ( 0.405 0.000 -1.601) 1.651 86.638 ( -2.411 0.000 -0.907) 2.576 86.663 ( 1.489 0.000 1.361) 2.017 87.417 ( -5.042 -0.000 -1.020) 5.144 87.418 ( -5.911 0.000 -2.129) 6.283 89.285 ( -1.103 0.000 -0.392) 1.171 89.310 ( 2.477 0.000 0.995) 2.669 89.551 ( -2.746 0.000 1.640) 3.199 89.607 ( 3.270 0.000 1.324) 3.528 90.196 ( -1.290 0.000 18.667) 18.712 90.535 ( 1.763 0.000 -23.860) 23.925 90.682 ( -3.698 0.000 17.426) 17.814 91.047 ( 7.230 0.000 -19.390) 20.694 92.152 ( -6.808 0.000 9.146) 11.402 92.415 ( 7.069 0.000 -9.516) 11.854 92.946 ( 0.006 0.000 13.404) 13.404 93.162 ( 0.842 0.000 -14.756) 14.780 95.800 ( -2.532 0.000 19.904) 20.064 95.950 ( 0.187 -0.000 7.198) 7.201 95.962 ( 0.515 0.000 -2.006) 2.071 96.177 ( 0.878 0.000 -20.344) 20.362 96.675 ( -4.999 0.000 9.565) 10.793 96.910 ( 6.172 0.000 -7.724) 9.887 97.616 ( -8.147 0.000 23.189) 24.579 98.117 ( 10.187 0.000 -23.631) 25.733 ======================= Grid point 233 (124/125) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.618 0.000 0.054) 0.620 2.853 ( -12.672 -0.000 12.017) 17.464 3.088 ( -3.092 0.000 -0.398) 3.118 3.328 ( 2.145 -0.000 0.482) 2.198 3.565 ( 2.509 -0.000 -2.150) 3.304 3.676 ( 8.831 0.001 -3.148) 9.375 3.676 ( 11.031 -0.001 -0.814) 11.061 4.075 ( -6.130 0.000 2.871) 6.769 4.520 ( -2.463 0.000 0.575) 2.529 4.544 ( -8.661 -0.000 7.920) 11.736 4.646 ( 0.081 0.000 -0.423) 0.431 4.835 ( 0.953 0.000 5.200) 5.287 4.913 ( -3.456 0.000 2.563) 4.303 5.173 ( -2.418 0.000 -8.770) 9.097 5.325 ( -8.177 0.000 4.790) 9.476 5.417 ( -4.603 0.000 -0.968) 4.703 5.434 ( -10.234 -0.000 13.931) 17.286 5.503 ( -0.899 0.000 -8.080) 8.130 5.597 ( -8.364 -0.000 -28.247) 29.459 5.780 ( -8.250 0.000 -0.258) 8.254 5.923 ( 3.769 0.000 1.659) 4.118 6.196 ( -0.830 0.000 -7.804) 7.848 6.234 ( -0.462 -0.000 3.580) 3.610 6.289 ( 2.686 0.000 4.033) 4.845 6.523 ( -4.138 -0.000 -7.996) 9.003 6.667 ( 1.248 0.000 -6.468) 6.587 6.702 ( -5.410 0.000 13.582) 14.620 6.893 ( -7.117 0.000 5.035) 8.718 7.130 ( -2.182 -0.000 23.341) 23.443 7.189 ( 10.881 0.000 -5.754) 12.309 7.438 ( 1.927 0.000 5.884) 6.192 7.552 ( -1.557 -0.000 -12.010) 12.110 7.798 ( 0.009 0.000 -2.920) 2.920 8.299 ( 1.956 0.000 -5.602) 5.934 8.418 ( 0.893 -0.000 10.378) 10.416 8.448 ( -6.827 0.000 -4.558) 8.209 8.737 ( 24.286 0.000 -8.837) 25.844 9.201 ( 15.671 0.000 -3.504) 16.058 9.571 ( 10.943 0.000 2.415) 11.206 9.662 ( 12.937 -0.000 1.270) 12.999 10.613 ( -1.447 0.000 8.899) 9.016 10.714 ( -0.748 0.000 -7.600) 7.637 12.046 ( 0.850 -0.000 1.654) 1.860 12.079 ( -0.173 0.000 -3.587) 3.591 12.677 ( -5.564 0.000 1.134) 5.678 12.750 ( -2.517 -0.000 2.507) 3.553 12.855 ( -2.136 0.000 0.766) 2.270 13.037 ( -1.848 0.000 -4.421) 4.791 13.291 ( 3.603 0.000 3.286) 4.876 13.578 ( 6.733 0.000 -1.904) 6.997 15.587 ( -2.157 0.000 0.245) 2.171 15.619 ( -5.276 0.000 1.191) 5.408 15.677 ( 1.918 0.000 -2.992) 3.554 15.825 ( 0.301 0.000 -1.672) 1.699 16.109 ( -3.219 0.000 7.873) 8.506 16.339 ( -0.668 0.000 2.854) 2.932 16.430 ( 0.668 0.000 -6.789) 6.822 16.484 ( 7.603 0.000 -6.452) 9.971 16.609 ( -2.512 0.000 10.903) 11.188 16.751 ( 0.057 0.000 -9.184) 9.184 17.253 ( -0.861 0.000 -4.709) 4.787 17.318 ( 0.534 0.000 5.022) 5.051 21.824 ( -1.976 0.000 4.790) 5.182 21.876 ( 1.837 0.000 -3.264) 3.745 22.044 ( 3.715 0.000 6.481) 7.470 22.323 ( 7.765 0.000 -4.836) 9.148 22.456 ( -3.184 0.000 -0.021) 3.184 22.487 ( -5.277 0.000 1.850) 5.592 22.618 ( -2.753 0.000 3.539) 4.483 22.884 ( -0.031 0.000 -8.448) 8.448 23.064 ( -0.052 -0.000 6.518) 6.519 23.088 ( -0.982 0.000 -1.257) 1.595 23.488 ( -1.829 0.000 2.890) 3.420 23.767 ( 1.408 0.000 -5.217) 5.404 23.893 ( 0.098 0.000 0.549) 0.558 23.997 ( -0.486 0.000 9.650) 9.663 24.569 ( -1.667 0.000 4.774) 5.056 24.804 ( 2.005 0.000 -12.647) 12.805 25.263 ( -2.601 0.000 -21.478) 21.635 25.266 ( -4.933 -0.000 15.252) 16.030 25.849 ( -2.035 0.000 11.338) 11.519 26.105 ( 3.464 0.000 -11.752) 12.252 27.041 ( -3.562 0.000 2.653) 4.442 27.273 ( 2.052 -0.000 4.460) 4.909 27.519 ( -2.744 0.000 10.033) 10.402 27.679 ( -3.765 0.000 -6.330) 7.366 27.922 ( -15.458 -0.000 0.301) 15.461 28.259 ( -13.631 0.000 -8.809) 16.230 28.295 ( 3.387 0.000 -11.450) 11.940 28.462 ( -6.788 0.000 11.578) 13.421 28.760 ( 2.304 -0.000 1.550) 2.777 28.818 ( 4.919 0.000 -15.035) 15.819 29.528 ( 5.515 0.000 17.246) 18.106 29.974 ( 11.291 0.000 -6.174) 12.869 30.155 ( 10.266 -0.000 3.655) 10.897 30.173 ( 6.983 0.000 -0.815) 7.030 30.534 ( -2.920 0.000 -8.376) 8.870 30.744 ( 4.398 -0.000 8.093) 9.211 31.150 ( -8.362 0.000 -4.546) 9.518 31.566 ( -9.982 0.000 -1.632) 10.115 31.837 ( 13.737 0.000 -3.828) 14.260 32.223 ( 6.588 0.000 14.781) 16.183 32.931 ( -1.591 0.000 4.225) 4.514 33.308 ( 8.564 0.000 -3.620) 9.298 33.573 ( -1.597 0.000 7.035) 7.214 33.607 ( -2.114 -0.000 -13.377) 13.543 34.574 ( -3.246 0.000 13.849) 14.224 34.960 ( 7.444 0.000 -11.342) 13.566 35.186 ( -7.393 0.000 -6.899) 10.112 35.312 ( -5.662 0.000 5.689) 8.027 36.881 ( -1.869 0.000 11.670) 11.818 37.057 ( 4.466 0.000 -5.277) 6.913 37.764 ( -5.480 0.000 8.632) 10.225 37.891 ( -3.340 0.000 -8.876) 9.484 37.995 ( 5.123 0.000 2.058) 5.521 38.109 ( 0.571 0.000 1.727) 1.819 38.485 ( -3.753 0.000 3.856) 5.381 38.527 ( -1.220 0.000 -12.993) 13.050 38.621 ( -0.310 0.000 9.140) 9.145 39.007 ( 0.914 0.000 -6.059) 6.128 39.396 ( 5.775 0.000 -3.794) 6.909 39.473 ( 5.543 0.000 1.150) 5.661 49.114 ( 0.068 0.000 1.958) 1.960 49.176 ( 1.175 0.000 -2.447) 2.715 49.576 ( -1.166 0.000 1.628) 2.002 49.624 ( -0.491 0.000 -1.363) 1.449 86.599 ( -0.698 0.000 -1.302) 1.478 86.678 ( -0.381 0.000 1.281) 1.336 87.223 ( -13.159 0.000 -0.783) 13.182 87.245 ( -12.159 0.000 -0.483) 12.169 89.295 ( 1.814 0.000 0.024) 1.814 89.365 ( 2.310 0.000 1.624) 2.824 89.538 ( 0.378 0.000 2.581) 2.608 89.669 ( 2.426 0.000 1.119) 2.672 90.254 ( -2.181 0.000 18.174) 18.304 90.476 ( 3.466 0.000 -21.172) 21.454 90.695 ( -3.811 0.000 17.679) 18.085 91.101 ( 8.657 0.000 -21.654) 23.320 92.111 ( -3.081 0.000 12.796) 13.162 92.525 ( 8.763 0.000 -7.121) 11.292 92.975 ( -2.766 0.000 9.855) 10.236 93.080 ( -1.349 0.000 -17.772) 17.823 95.815 ( -4.655 0.000 15.616) 16.295 95.960 ( 0.324 -0.000 -2.375) 2.397 95.996 ( -0.426 0.000 9.719) 9.728 96.122 ( 3.299 0.000 -19.193) 19.475 96.679 ( 0.415 0.000 12.040) 12.047 96.987 ( 5.665 0.000 -6.958) 8.972 97.571 ( -8.281 0.000 23.159) 24.595 98.190 ( 9.982 0.000 -27.278) 29.047 ======================= Grid point 235 (125/125) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -8.208 0.000 18.016) 19.798 2.886 ( 9.828 -0.000 1.791) 9.990 3.042 ( -0.004 -0.000 -5.762) 5.762 3.354 ( -1.688 0.000 1.452) 2.226 3.596 ( 1.356 0.000 -4.606) 4.801 3.761 ( -5.906 0.000 -4.901) 7.675 3.858 ( 12.989 0.000 -4.229) 13.660 4.059 ( 7.539 0.000 11.736) 13.949 4.339 ( -13.626 0.000 -0.298) 13.629 4.405 ( -8.955 0.000 11.067) 14.236 4.771 ( 8.907 0.000 -1.882) 9.103 4.801 ( -7.277 0.000 -6.224) 9.576 4.873 ( -0.070 0.000 8.055) 8.056 5.009 ( -10.786 0.000 -6.144) 12.413 5.220 ( -6.062 0.000 6.251) 8.708 5.298 ( -11.525 0.000 18.525) 21.817 5.385 ( 0.812 0.000 -25.979) 25.992 5.391 ( 2.646 -0.000 -4.821) 5.500 5.547 ( 8.770 -0.000 -12.834) 15.545 5.558 ( -14.255 0.000 3.796) 14.752 5.964 ( -0.533 0.000 0.783) 0.947 6.121 ( -2.923 0.000 -5.941) 6.621 6.218 ( -2.567 0.000 2.699) 3.725 6.286 ( -3.493 0.000 -2.469) 4.278 6.486 ( 6.033 0.000 -5.438) 8.122 6.664 ( -2.149 0.000 -1.322) 2.523 6.713 ( -2.815 0.000 8.646) 9.093 6.738 ( -6.964 -0.000 -0.305) 6.970 7.164 ( -3.201 0.000 20.119) 20.372 7.401 ( 12.839 0.000 2.346) 13.051 7.502 ( 0.839 0.000 -9.428) 9.465 7.547 ( 5.106 -0.000 5.817) 7.740 7.821 ( 4.017 0.000 -4.357) 5.926 8.250 ( -8.641 0.000 -8.002) 11.777 8.355 ( 3.160 0.000 -3.313) 4.578 8.428 ( -4.394 0.000 7.804) 8.956 9.110 ( 17.402 0.000 -3.253) 17.703 9.386 ( 6.555 0.000 -5.833) 8.774 9.817 ( 14.003 0.000 -0.207) 14.005 9.907 ( 10.047 0.000 2.627) 10.385 10.614 ( -2.826 0.000 6.979) 7.529 10.668 ( -0.144 0.000 -5.999) 6.001 12.059 ( -0.583 -0.000 -1.250) 1.380 12.067 ( 0.888 0.000 -0.434) 0.988 12.594 ( -3.662 0.000 2.905) 4.674 12.690 ( -4.323 0.000 0.956) 4.428 12.843 ( -0.092 0.000 1.831) 1.833 12.977 ( -1.583 0.000 -4.996) 5.241 13.407 ( 5.664 0.000 5.071) 7.602 13.650 ( 2.241 0.000 -3.837) 4.444 15.537 ( -3.865 0.000 1.330) 4.088 15.543 ( -2.102 0.000 -0.566) 2.177 15.713 ( 3.342 0.000 -2.746) 4.326 15.803 ( -1.865 0.000 -1.173) 2.203 16.108 ( -1.067 0.000 8.500) 8.567 16.360 ( 1.014 0.000 4.202) 4.322 16.389 ( -0.936 0.000 -8.859) 8.908 16.568 ( 3.841 0.000 -8.322) 9.166 16.608 ( -2.953 0.000 9.848) 10.281 16.715 ( 1.234 0.000 -7.230) 7.335 17.255 ( 2.929 0.000 -2.495) 3.848 17.326 ( -2.018 0.000 3.661) 4.181 21.824 ( -0.683 0.000 6.241) 6.278 21.912 ( 3.196 0.000 -2.658) 4.157 22.140 ( 2.576 0.000 4.704) 5.363 22.328 ( -3.608 0.000 -4.306) 5.618 22.425 ( -1.985 0.000 2.367) 3.089 22.475 ( 4.438 0.000 -4.118) 6.055 22.611 ( 0.282 0.000 6.056) 6.063 22.879 ( 3.554 0.000 -3.293) 4.845 23.007 ( -6.065 0.000 -3.535) 7.020 23.065 ( -3.319 0.000 5.150) 6.127 23.498 ( 1.184 0.000 2.186) 2.487 23.711 ( -4.255 0.000 -4.846) 6.449 23.936 ( 3.758 0.000 0.703) 3.823 24.005 ( -3.185 0.000 7.957) 8.571 24.575 ( 0.163 0.000 3.440) 3.444 24.778 ( 1.675 0.000 -12.207) 12.321 25.182 ( -9.726 0.000 10.532) 14.336 25.187 ( 4.301 -0.000 -16.795) 17.337 25.861 ( -3.001 0.000 12.815) 13.162 26.106 ( 2.615 0.000 -11.086) 11.390 27.051 ( 0.763 0.000 11.069) 11.096 27.304 ( 1.755 0.000 -0.234) 1.771 27.557 ( 1.780 0.000 8.315) 8.503 27.578 ( -3.596 -0.000 -8.725) 9.437 27.623 ( -14.273 -0.000 -1.309) 14.333 27.983 ( -12.014 0.000 -4.597) 12.864 28.366 ( 9.001 0.000 -10.918) 14.150 28.403 ( -5.655 0.000 10.539) 11.961 28.761 ( -2.374 -0.000 -0.021) 2.374 28.821 ( 3.189 0.000 -14.677) 15.020 29.727 ( 6.859 0.000 17.357) 18.663 30.145 ( 8.911 0.000 -2.279) 9.198 30.267 ( 2.280 -0.000 0.335) 2.304 30.315 ( -0.387 0.000 4.013) 4.032 30.466 ( 6.080 0.000 -13.140) 14.479 30.787 ( -5.267 -0.000 4.257) 6.772 31.074 ( 3.963 0.000 -2.085) 4.478 31.411 ( -6.854 0.000 -1.481) 7.012 32.072 ( 13.364 0.000 -2.967) 13.689 32.305 ( -4.525 0.000 12.453) 13.249 32.979 ( 3.386 0.000 7.675) 8.389 33.450 ( 9.090 0.000 -6.271) 11.044 33.493 ( -3.991 0.000 -11.349) 12.030 33.556 ( -3.374 -0.000 5.413) 6.378 34.602 ( -0.722 0.000 13.906) 13.924 35.011 ( -2.393 0.000 -9.877) 10.162 35.073 ( 5.158 0.000 -8.402) 9.859 35.195 ( -9.150 0.000 5.547) 10.700 36.906 ( -1.685 0.000 13.089) 13.197 37.118 ( 4.476 0.000 -5.985) 7.474 37.689 ( -7.352 0.000 10.783) 13.051 37.812 ( -0.295 0.000 -8.889) 8.894 38.098 ( -1.398 -0.000 2.921) 3.238 38.107 ( 5.042 0.000 2.513) 5.634 38.423 ( -4.513 0.000 1.571) 4.779 38.450 ( 0.212 0.000 -13.624) 13.626 38.695 ( 3.272 0.000 7.165) 7.876 38.972 ( -1.371 0.000 -5.690) 5.853 39.494 ( 5.913 0.000 -3.263) 6.753 39.552 ( 2.170 0.000 0.024) 2.171 49.128 ( 0.466 0.000 1.699) 1.762 49.182 ( 0.570 0.000 -2.144) 2.219 49.566 ( -0.574 0.000 1.286) 1.408 49.604 ( -0.867 0.000 -1.037) 1.352 86.619 ( 3.874 -0.000 -1.798) 4.271 86.672 ( -0.758 0.000 1.994) 2.133 86.984 ( -11.070 0.000 -0.317) 11.075 87.011 ( -12.056 0.000 0.143) 12.057 89.338 ( 2.730 0.000 -0.427) 2.764 89.394 ( -0.045 0.000 1.034) 1.035 89.585 ( 2.971 0.000 3.077) 4.277 89.696 ( -0.003 0.000 0.604) 0.604 90.273 ( -4.422 0.000 15.459) 16.079 90.472 ( 6.029 0.000 -18.324) 19.290 90.704 ( -4.953 0.000 20.595) 21.182 91.153 ( 8.197 0.000 -23.888) 25.255 92.159 ( 0.904 0.000 16.164) 16.190 92.646 ( 6.961 0.000 -8.342) 10.865 92.936 ( -5.708 0.000 7.051) 9.072 92.967 ( -0.896 0.000 -16.977) 17.001 95.787 ( -6.087 0.000 15.691) 16.830 95.953 ( 0.400 0.000 -2.990) 3.016 96.006 ( -2.440 0.000 6.601) 7.038 96.120 ( 5.582 -0.000 -17.262) 18.142 96.786 ( 3.332 0.000 14.102) 14.490 97.047 ( 4.057 0.000 -6.535) 7.692 97.538 ( -7.140 0.000 25.550) 26.529 98.211 ( 6.786 0.000 -31.173) 31.903 =================== 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 3/58800 10.0 79.720 75.217 87.326 0.000 22.346 0.000 3/58800 20.0 25.383 36.162 41.907 0.000 1.008 0.000 3/58800 30.0 10.152 15.231 16.789 0.000 -0.509 0.000 3/58800 40.0 5.330 8.127 8.813 0.000 -0.506 0.000 3/58800 50.0 3.406 5.192 5.639 0.000 -0.403 0.000 3/58800 60.0 2.469 3.724 4.074 0.000 -0.321 0.000 3/58800 70.0 1.942 2.883 3.177 0.000 -0.261 0.000 3/58800 80.0 1.611 2.351 2.605 0.000 -0.219 0.000 3/58800 90.0 1.386 1.988 2.211 0.000 -0.187 0.000 3/58800 100.0 1.224 1.726 1.924 0.000 -0.163 0.000 3/58800 110.0 1.100 1.528 1.706 0.000 -0.144 0.000 3/58800 120.0 1.002 1.374 1.534 0.000 -0.129 0.000 3/58800 130.0 0.922 1.249 1.395 0.000 -0.117 0.000 3/58800 140.0 0.855 1.147 1.281 0.000 -0.107 0.000 3/58800 150.0 0.799 1.061 1.185 0.000 -0.099 0.000 3/58800 160.0 0.750 0.988 1.103 0.000 -0.091 0.000 3/58800 170.0 0.707 0.925 1.033 0.000 -0.085 0.000 3/58800 180.0 0.669 0.870 0.972 0.000 -0.080 0.000 3/58800 190.0 0.635 0.821 0.918 0.000 -0.076 0.000 3/58800 200.0 0.605 0.778 0.870 0.000 -0.072 0.000 3/58800 210.0 0.578 0.740 0.828 0.000 -0.068 0.000 3/58800 220.0 0.553 0.705 0.789 0.000 -0.065 0.000 3/58800 230.0 0.531 0.673 0.755 0.000 -0.062 0.000 3/58800 240.0 0.510 0.645 0.723 0.000 -0.059 0.000 3/58800 250.0 0.491 0.618 0.695 0.000 -0.057 0.000 3/58800 260.0 0.473 0.594 0.668 0.000 -0.055 0.000 3/58800 270.0 0.457 0.572 0.644 0.000 -0.053 0.000 3/58800 280.0 0.442 0.552 0.622 0.000 -0.051 0.000 3/58800 290.0 0.428 0.533 0.601 0.000 -0.049 0.000 3/58800 300.0 0.415 0.515 0.582 0.000 -0.048 0.000 3/58800 310.0 0.403 0.498 0.564 0.000 -0.046 0.000 3/58800 320.0 0.391 0.483 0.547 0.000 -0.045 0.000 3/58800 330.0 0.380 0.469 0.532 0.000 -0.044 0.000 3/58800 340.0 0.370 0.455 0.517 0.000 -0.042 0.000 3/58800 350.0 0.360 0.442 0.503 0.000 -0.041 0.000 3/58800 360.0 0.351 0.430 0.490 0.000 -0.040 0.000 3/58800 370.0 0.343 0.419 0.477 0.000 -0.039 0.000 3/58800 380.0 0.334 0.408 0.465 0.000 -0.038 0.000 3/58800 390.0 0.327 0.398 0.454 0.000 -0.037 0.000 3/58800 400.0 0.319 0.388 0.444 0.000 -0.037 0.000 3/58800 410.0 0.312 0.379 0.434 0.000 -0.036 0.000 3/58800 420.0 0.305 0.370 0.424 0.000 -0.035 0.000 3/58800 430.0 0.299 0.362 0.415 0.000 -0.034 0.000 3/58800 440.0 0.293 0.354 0.406 0.000 -0.034 0.000 3/58800 450.0 0.287 0.346 0.397 0.000 -0.033 0.000 3/58800 460.0 0.281 0.339 0.389 0.000 -0.032 0.000 3/58800 470.0 0.276 0.332 0.382 0.000 -0.032 0.000 3/58800 480.0 0.270 0.325 0.374 0.000 -0.031 0.000 3/58800 490.0 0.265 0.319 0.367 0.000 -0.030 0.000 3/58800 500.0 0.260 0.312 0.360 0.000 -0.030 0.000 3/58800 510.0 0.256 0.306 0.354 0.000 -0.029 0.000 3/58800 520.0 0.251 0.301 0.347 0.000 -0.029 0.000 3/58800 530.0 0.247 0.295 0.341 0.000 -0.028 0.000 3/58800 540.0 0.243 0.290 0.336 0.000 -0.028 0.000 3/58800 550.0 0.239 0.285 0.330 0.000 -0.027 0.000 3/58800 560.0 0.235 0.280 0.324 0.000 -0.027 0.000 3/58800 570.0 0.231 0.275 0.319 0.000 -0.027 0.000 3/58800 580.0 0.227 0.271 0.314 0.000 -0.026 0.000 3/58800 590.0 0.224 0.266 0.309 0.000 -0.026 0.000 3/58800 600.0 0.220 0.262 0.304 0.000 -0.025 0.000 3/58800 610.0 0.217 0.258 0.300 0.000 -0.025 0.000 3/58800 620.0 0.214 0.254 0.295 0.000 -0.025 0.000 3/58800 630.0 0.211 0.250 0.291 0.000 -0.024 0.000 3/58800 640.0 0.208 0.246 0.286 0.000 -0.024 0.000 3/58800 650.0 0.205 0.242 0.282 0.000 -0.024 0.000 3/58800 660.0 0.202 0.239 0.278 0.000 -0.023 0.000 3/58800 670.0 0.199 0.235 0.274 0.000 -0.023 0.000 3/58800 680.0 0.196 0.232 0.271 0.000 -0.023 0.000 3/58800 690.0 0.194 0.229 0.267 0.000 -0.022 0.000 3/58800 700.0 0.191 0.226 0.263 0.000 -0.022 0.000 3/58800 710.0 0.189 0.223 0.260 0.000 -0.022 0.000 3/58800 720.0 0.186 0.220 0.257 0.000 -0.022 0.000 3/58800 730.0 0.184 0.217 0.253 0.000 -0.021 0.000 3/58800 740.0 0.181 0.214 0.250 0.000 -0.021 0.000 3/58800 750.0 0.179 0.211 0.247 0.000 -0.021 0.000 3/58800 760.0 0.177 0.208 0.244 0.000 -0.021 0.000 3/58800 770.0 0.175 0.206 0.241 0.000 -0.020 0.000 3/58800 780.0 0.173 0.203 0.238 0.000 -0.020 0.000 3/58800 790.0 0.171 0.201 0.235 0.000 -0.020 0.000 3/58800 800.0 0.169 0.198 0.233 0.000 -0.020 0.000 3/58800 810.0 0.167 0.196 0.230 0.000 -0.019 0.000 3/58800 820.0 0.165 0.194 0.227 0.000 -0.019 0.000 3/58800 830.0 0.163 0.191 0.225 0.000 -0.019 0.000 3/58800 840.0 0.161 0.189 0.222 0.000 -0.019 0.000 3/58800 850.0 0.159 0.187 0.220 0.000 -0.019 0.000 3/58800 860.0 0.158 0.185 0.217 0.000 -0.018 0.000 3/58800 870.0 0.156 0.183 0.215 0.000 -0.018 0.000 3/58800 880.0 0.154 0.181 0.213 0.000 -0.018 0.000 3/58800 890.0 0.153 0.179 0.211 0.000 -0.018 0.000 3/58800 900.0 0.151 0.177 0.208 0.000 -0.018 0.000 3/58800 910.0 0.150 0.175 0.206 0.000 -0.017 0.000 3/58800 920.0 0.148 0.173 0.204 0.000 -0.017 0.000 3/58800 930.0 0.147 0.172 0.202 0.000 -0.017 0.000 3/58800 940.0 0.145 0.170 0.200 0.000 -0.017 0.000 3/58800 950.0 0.144 0.168 0.198 0.000 -0.017 0.000 3/58800 960.0 0.142 0.166 0.196 0.000 -0.017 0.000 3/58800 970.0 0.141 0.165 0.194 0.000 -0.016 0.000 3/58800 980.0 0.139 0.163 0.192 0.000 -0.016 0.000 3/58800 990.0 0.138 0.162 0.191 0.000 -0.016 0.000 3/58800 1000.0 0.137 0.160 0.189 0.000 -0.016 0.000 3/58800 Thermal conductivity related properties were written into "kappa-m787.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:28:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|