----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:54:04]------------------------- 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: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.934678490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.768058330000000 Atomic positions (fractional): *1 K 0.38428229762893 0.73610002816108 0.52319365908541 39.098 2 K 0.88428229762893 0.76389997183892 0.52319365908541 39.098 3 K 0.11571770237107 0.23610002816108 0.02319365908541 39.098 4 K 0.61571770237107 0.26389997183892 0.02319365908541 39.098 *5 Na 0.37769274401119 0.41761861357010 0.53922457705380 22.990 6 Na 0.12230725598881 0.91761861357010 0.03922457705380 22.990 7 Na 0.87769274401119 0.08238138642990 0.53922457705380 22.990 8 Na 0.62230725598881 0.58238138642990 0.03922457705380 22.990 *9 Ge 0.87042973647105 0.44965999044889 0.50167004491847 72.640 10 Ge 0.12957026352895 0.55034000955110 0.00167004491847 72.640 11 Ge 0.62957026352895 0.94965999044890 0.00167004491847 72.640 12 Ge 0.37042973647105 0.05034000955110 0.50167004491847 72.640 *13 O 0.41571952338209 0.03126991963097 0.12484875604410 15.999 *14 O 0.66335536886578 0.53819658629503 0.55808826510272 15.999 *15 O 0.36598247934311 0.20795231606243 0.56767468779551 15.999 16 O 0.08428047661791 0.53126991963097 0.62484875604410 15.999 17 O 0.91571952338209 0.46873008036903 0.12484875604410 15.999 18 O 0.13401752065690 0.70795231606243 0.06767468779551 15.999 19 O 0.58428047661791 0.96873008036903 0.62484875604410 15.999 20 O 0.83664463113422 0.03819658629503 0.05808826510272 15.999 21 O 0.16335536886578 0.96180341370497 0.55808826510272 15.999 22 O 0.86598247934310 0.29204768393757 0.56767468779551 15.999 23 O 0.33664463113422 0.46180341370497 0.05808826510272 15.999 24 O 0.63401752065690 0.79204768393757 0.06767468779551 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.934678490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.768058330000000 Atomic positions (fractional): *1 K 0.38428229762893 0.73610002816108 0.52319365908541 39.098 > 1 2 K 0.88428229762893 0.76389997183892 0.52319365908541 39.098 > 2 3 K 0.11571770237107 0.23610002816108 0.02319365908541 39.098 > 3 4 K 0.61571770237107 0.26389997183892 0.02319365908541 39.098 > 4 *5 Na 0.37769274401119 0.41761861357010 0.53922457705380 22.990 > 5 6 Na 0.12230725598881 0.91761861357010 0.03922457705380 22.990 > 6 7 Na 0.87769274401119 0.08238138642990 0.53922457705380 22.990 > 7 8 Na 0.62230725598881 0.58238138642990 0.03922457705380 22.990 > 8 *9 Ge 0.87042973647105 0.44965999044889 0.50167004491847 72.640 > 9 10 Ge 0.12957026352895 0.55034000955110 0.00167004491847 72.640 > 10 11 Ge 0.62957026352895 0.94965999044890 0.00167004491847 72.640 > 11 12 Ge 0.37042973647105 0.05034000955110 0.50167004491847 72.640 > 12 *13 O 0.41571952338209 0.03126991963097 0.12484875604410 15.999 > 13 *14 O 0.66335536886578 0.53819658629503 0.55808826510272 15.999 > 14 *15 O 0.36598247934311 0.20795231606243 0.56767468779551 15.999 > 15 16 O 0.08428047661791 0.53126991963097 0.62484875604410 15.999 > 16 17 O 0.91571952338209 0.46873008036903 0.12484875604410 15.999 > 17 18 O 0.13401752065690 0.70795231606243 0.06767468779551 15.999 > 18 19 O 0.58428047661791 0.96873008036903 0.62484875604410 15.999 > 19 20 O 0.83664463113422 0.03819658629503 0.05808826510272 15.999 > 20 21 O 0.16335536886578 0.96180341370497 0.55808826510272 15.999 > 21 22 O 0.86598247934310 0.29204768393757 0.56767468779551 15.999 > 22 23 O 0.33664463113422 0.46180341370497 0.05808826510272 15.999 > 23 24 O 0.63401752065690 0.79204768393757 0.06767468779551 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.869356979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.304174990000000 Atomic positions (fractional): *1 K 0.19214114881446 0.73610002816108 0.17439788636180 39.098 > 1 2 K 0.69214114881446 0.73610002816108 0.17439788636180 39.098 > 1 3 K 0.19214114881446 0.73610002816108 0.50773121969514 39.098 > 1 4 K 0.69214114881446 0.73610002816108 0.50773121969514 39.098 > 1 5 K 0.19214114881446 0.73610002816108 0.84106455302847 39.098 > 1 6 K 0.69214114881446 0.73610002816108 0.84106455302847 39.098 > 1 7 K 0.44214114881446 0.76389997183892 0.17439788636180 39.098 > 2 8 K 0.94214114881446 0.76389997183892 0.17439788636180 39.098 > 2 9 K 0.44214114881446 0.76389997183892 0.50773121969514 39.098 > 2 10 K 0.94214114881446 0.76389997183892 0.50773121969514 39.098 > 2 11 K 0.44214114881446 0.76389997183892 0.84106455302847 39.098 > 2 12 K 0.94214114881446 0.76389997183892 0.84106455302847 39.098 > 2 13 K 0.05785885118554 0.23610002816108 0.00773121969514 39.098 > 3 14 K 0.55785885118554 0.23610002816108 0.00773121969514 39.098 > 3 15 K 0.05785885118554 0.23610002816108 0.34106455302847 39.098 > 3 16 K 0.55785885118554 0.23610002816108 0.34106455302847 39.098 > 3 17 K 0.05785885118554 0.23610002816108 0.67439788636180 39.098 > 3 18 K 0.55785885118554 0.23610002816108 0.67439788636180 39.098 > 3 19 K 0.30785885118554 0.26389997183892 0.00773121969514 39.098 > 4 20 K 0.80785885118554 0.26389997183892 0.00773121969514 39.098 > 4 21 K 0.30785885118554 0.26389997183892 0.34106455302847 39.098 > 4 22 K 0.80785885118554 0.26389997183892 0.34106455302847 39.098 > 4 23 K 0.30785885118554 0.26389997183892 0.67439788636180 39.098 > 4 24 K 0.80785885118554 0.26389997183892 0.67439788636180 39.098 > 4 *25 Na 0.18884637200560 0.41761861357010 0.17974152568460 22.990 > 5 26 Na 0.68884637200560 0.41761861357010 0.17974152568460 22.990 > 5 27 Na 0.18884637200560 0.41761861357010 0.51307485901793 22.990 > 5 28 Na 0.68884637200560 0.41761861357010 0.51307485901793 22.990 > 5 29 Na 0.18884637200560 0.41761861357010 0.84640819235127 22.990 > 5 30 Na 0.68884637200560 0.41761861357010 0.84640819235127 22.990 > 5 31 Na 0.06115362799440 0.91761861357010 0.01307485901793 22.990 > 6 32 Na 0.56115362799440 0.91761861357010 0.01307485901793 22.990 > 6 33 Na 0.06115362799440 0.91761861357010 0.34640819235127 22.990 > 6 34 Na 0.56115362799440 0.91761861357010 0.34640819235127 22.990 > 6 35 Na 0.06115362799440 0.91761861357010 0.67974152568460 22.990 > 6 36 Na 0.56115362799440 0.91761861357010 0.67974152568460 22.990 > 6 37 Na 0.43884637200560 0.08238138642990 0.17974152568460 22.990 > 7 38 Na 0.93884637200560 0.08238138642990 0.17974152568460 22.990 > 7 39 Na 0.43884637200560 0.08238138642990 0.51307485901793 22.990 > 7 40 Na 0.93884637200560 0.08238138642990 0.51307485901793 22.990 > 7 41 Na 0.43884637200560 0.08238138642990 0.84640819235127 22.990 > 7 42 Na 0.93884637200560 0.08238138642990 0.84640819235127 22.990 > 7 43 Na 0.31115362799440 0.58238138642990 0.01307485901793 22.990 > 8 44 Na 0.81115362799440 0.58238138642990 0.01307485901793 22.990 > 8 45 Na 0.31115362799440 0.58238138642990 0.34640819235127 22.990 > 8 46 Na 0.81115362799440 0.58238138642990 0.34640819235127 22.990 > 8 47 Na 0.31115362799440 0.58238138642990 0.67974152568460 22.990 > 8 48 Na 0.81115362799440 0.58238138642990 0.67974152568460 22.990 > 8 *49 Ge 0.43521486823552 0.44965999044889 0.16722334830616 72.640 > 9 50 Ge 0.93521486823552 0.44965999044889 0.16722334830616 72.640 > 9 51 Ge 0.43521486823552 0.44965999044889 0.50055668163949 72.640 > 9 52 Ge 0.93521486823552 0.44965999044889 0.50055668163949 72.640 > 9 53 Ge 0.43521486823552 0.44965999044889 0.83389001497282 72.640 > 9 54 Ge 0.93521486823552 0.44965999044889 0.83389001497282 72.640 > 9 55 Ge 0.06478513176448 0.55034000955110 0.00055668163949 72.640 > 10 56 Ge 0.56478513176447 0.55034000955110 0.00055668163949 72.640 > 10 57 Ge 0.06478513176448 0.55034000955110 0.33389001497282 72.640 > 10 58 Ge 0.56478513176447 0.55034000955110 0.33389001497282 72.640 > 10 59 Ge 0.06478513176448 0.55034000955110 0.66722334830616 72.640 > 10 60 Ge 0.56478513176447 0.55034000955110 0.66722334830616 72.640 > 10 61 Ge 0.31478513176448 0.94965999044890 0.00055668163949 72.640 > 11 62 Ge 0.81478513176448 0.94965999044890 0.00055668163949 72.640 > 11 63 Ge 0.31478513176448 0.94965999044890 0.33389001497282 72.640 > 11 64 Ge 0.81478513176448 0.94965999044890 0.33389001497282 72.640 > 11 65 Ge 0.31478513176448 0.94965999044890 0.66722334830616 72.640 > 11 66 Ge 0.81478513176448 0.94965999044890 0.66722334830616 72.640 > 11 67 Ge 0.18521486823552 0.05034000955110 0.16722334830616 72.640 > 12 68 Ge 0.68521486823553 0.05034000955110 0.16722334830616 72.640 > 12 69 Ge 0.18521486823552 0.05034000955110 0.50055668163949 72.640 > 12 70 Ge 0.68521486823553 0.05034000955110 0.50055668163949 72.640 > 12 71 Ge 0.18521486823552 0.05034000955110 0.83389001497282 72.640 > 12 72 Ge 0.68521486823553 0.05034000955110 0.83389001497282 72.640 > 12 *73 O 0.20785976169104 0.03126991963097 0.04161625201470 15.999 > 13 74 O 0.70785976169104 0.03126991963097 0.04161625201470 15.999 > 13 75 O 0.20785976169104 0.03126991963097 0.37494958534803 15.999 > 13 76 O 0.70785976169104 0.03126991963097 0.37494958534803 15.999 > 13 77 O 0.20785976169104 0.03126991963097 0.70828291868137 15.999 > 13 78 O 0.70785976169104 0.03126991963097 0.70828291868137 15.999 > 13 *79 O 0.33167768443289 0.53819658629503 0.18602942170091 15.999 > 14 80 O 0.83167768443289 0.53819658629503 0.18602942170091 15.999 > 14 81 O 0.33167768443289 0.53819658629503 0.51936275503424 15.999 > 14 82 O 0.83167768443289 0.53819658629503 0.51936275503424 15.999 > 14 83 O 0.33167768443289 0.53819658629503 0.85269608836757 15.999 > 14 84 O 0.83167768443289 0.53819658629503 0.85269608836757 15.999 > 14 *85 O 0.18299123967155 0.20795231606243 0.18922489593184 15.999 > 15 86 O 0.68299123967155 0.20795231606243 0.18922489593184 15.999 > 15 87 O 0.18299123967155 0.20795231606243 0.52255822926517 15.999 > 15 88 O 0.68299123967155 0.20795231606243 0.52255822926517 15.999 > 15 89 O 0.18299123967155 0.20795231606243 0.85589156259850 15.999 > 15 90 O 0.68299123967155 0.20795231606243 0.85589156259850 15.999 > 15 91 O 0.04214023830896 0.53126991963097 0.20828291868137 15.999 > 16 92 O 0.54214023830896 0.53126991963097 0.20828291868137 15.999 > 16 93 O 0.04214023830896 0.53126991963097 0.54161625201470 15.999 > 16 94 O 0.54214023830896 0.53126991963097 0.54161625201470 15.999 > 16 95 O 0.04214023830896 0.53126991963097 0.87494958534803 15.999 > 16 96 O 0.54214023830896 0.53126991963097 0.87494958534803 15.999 > 16 97 O 0.45785976169104 0.46873008036903 0.04161625201470 15.999 > 17 98 O 0.95785976169104 0.46873008036903 0.04161625201470 15.999 > 17 99 O 0.45785976169104 0.46873008036903 0.37494958534803 15.999 > 17 100 O 0.95785976169104 0.46873008036903 0.37494958534803 15.999 > 17 101 O 0.45785976169104 0.46873008036903 0.70828291868137 15.999 > 17 102 O 0.95785976169104 0.46873008036903 0.70828291868137 15.999 > 17 103 O 0.06700876032845 0.70795231606243 0.02255822926517 15.999 > 18 104 O 0.56700876032845 0.70795231606243 0.02255822926517 15.999 > 18 105 O 0.06700876032845 0.70795231606243 0.35589156259850 15.999 > 18 106 O 0.56700876032845 0.70795231606243 0.35589156259850 15.999 > 18 107 O 0.06700876032845 0.70795231606243 0.68922489593184 15.999 > 18 108 O 0.56700876032845 0.70795231606243 0.68922489593184 15.999 > 18 109 O 0.29214023830896 0.96873008036903 0.20828291868137 15.999 > 19 110 O 0.79214023830896 0.96873008036903 0.20828291868137 15.999 > 19 111 O 0.29214023830896 0.96873008036903 0.54161625201470 15.999 > 19 112 O 0.79214023830896 0.96873008036903 0.54161625201470 15.999 > 19 113 O 0.29214023830896 0.96873008036903 0.87494958534803 15.999 > 19 114 O 0.79214023830896 0.96873008036903 0.87494958534803 15.999 > 19 115 O 0.41832231556711 0.03819658629503 0.01936275503424 15.999 > 20 116 O 0.91832231556711 0.03819658629503 0.01936275503424 15.999 > 20 117 O 0.41832231556711 0.03819658629503 0.35269608836757 15.999 > 20 118 O 0.91832231556711 0.03819658629503 0.35269608836757 15.999 > 20 119 O 0.41832231556711 0.03819658629503 0.68602942170091 15.999 > 20 120 O 0.91832231556711 0.03819658629503 0.68602942170091 15.999 > 20 121 O 0.08167768443289 0.96180341370497 0.18602942170091 15.999 > 21 122 O 0.58167768443289 0.96180341370497 0.18602942170091 15.999 > 21 123 O 0.08167768443289 0.96180341370497 0.51936275503424 15.999 > 21 124 O 0.58167768443289 0.96180341370497 0.51936275503424 15.999 > 21 125 O 0.08167768443289 0.96180341370497 0.85269608836757 15.999 > 21 126 O 0.58167768443289 0.96180341370497 0.85269608836757 15.999 > 21 127 O 0.43299123967155 0.29204768393757 0.18922489593184 15.999 > 22 128 O 0.93299123967155 0.29204768393757 0.18922489593184 15.999 > 22 129 O 0.43299123967155 0.29204768393757 0.52255822926517 15.999 > 22 130 O 0.93299123967155 0.29204768393757 0.52255822926517 15.999 > 22 131 O 0.43299123967155 0.29204768393757 0.85589156259850 15.999 > 22 132 O 0.93299123967155 0.29204768393757 0.85589156259850 15.999 > 22 133 O 0.16832231556711 0.46180341370497 0.01936275503424 15.999 > 23 134 O 0.66832231556711 0.46180341370497 0.01936275503424 15.999 > 23 135 O 0.16832231556711 0.46180341370497 0.35269608836757 15.999 > 23 136 O 0.66832231556711 0.46180341370497 0.35269608836757 15.999 > 23 137 O 0.16832231556711 0.46180341370497 0.68602942170091 15.999 > 23 138 O 0.66832231556711 0.46180341370497 0.68602942170091 15.999 > 23 139 O 0.31700876032845 0.79204768393757 0.02255822926517 15.999 > 24 140 O 0.81700876032845 0.79204768393757 0.02255822926517 15.999 > 24 141 O 0.31700876032845 0.79204768393757 0.35589156259850 15.999 > 24 142 O 0.81700876032845 0.79204768393757 0.35589156259850 15.999 > 24 143 O 0.31700876032845 0.79204768393757 0.68922489593184 15.999 > 24 144 O 0.81700876032845 0.79204768393757 0.68922489593184 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8419851 0.0000000 0.0000000 0.0000000 2.8757613 0.0000000 0.0000000 0.0000000 2.9124584 -------------------------- Born effective charges -------------------------- 1 K 1.1791632 0.0623551 0.0057161 0.1409776 1.2458876 0.0071204 0.0068087 0.0237757 1.1691816 2 K 1.1791632 -0.0623551 0.0057161 -0.1409776 1.2458876 -0.0071204 0.0068087 -0.0237757 1.1691816 3 K 1.1791632 -0.0623551 -0.0057161 -0.1409776 1.2458876 0.0071204 -0.0068087 0.0237757 1.1691816 4 K 1.1791632 0.0623551 -0.0057161 0.1409776 1.2458876 -0.0071204 -0.0068087 -0.0237757 1.1691816 5 Na 1.1374954 -0.0364465 -0.0055503 -0.0121921 1.0543180 -0.0209092 -0.0306781 0.0150748 1.0232833 6 Na 1.1374954 0.0364465 0.0055503 0.0121921 1.0543180 -0.0209092 0.0306781 0.0150748 1.0232833 7 Na 1.1374954 0.0364465 -0.0055503 0.0121921 1.0543180 0.0209092 -0.0306781 -0.0150748 1.0232833 8 Na 1.1374954 -0.0364465 0.0055503 -0.0121921 1.0543180 0.0209092 0.0306781 -0.0150748 1.0232833 9 Ge 2.7267112 0.0961311 -0.3550049 0.0332014 2.7342023 -0.1908134 0.2436054 0.1207257 3.1640245 10 Ge 2.7267112 0.0961311 0.3550049 0.0332014 2.7342023 0.1908134 -0.2436054 -0.1207257 3.1640245 11 Ge 2.7267112 -0.0961311 0.3550049 -0.0332014 2.7342023 -0.1908134 -0.2436054 0.1207257 3.1640245 12 Ge 2.7267112 -0.0961311 -0.3550049 -0.0332014 2.7342023 0.1908134 0.2436054 -0.1207257 3.1640245 13 O -1.7288422 0.3699890 0.4940156 0.3100699 -1.3200911 -0.2462063 0.6126875 -0.3546647 -2.4637333 14 O -1.9797636 0.3895131 0.1244781 0.3036122 -1.6120014 -0.0067528 0.0701911 -0.0649486 -1.3992315 15 O -1.3347641 0.1207272 0.0592549 -0.0188917 -2.1023153 -0.1504321 -0.0303556 -0.1264114 -1.4935246 16 O -1.7288422 -0.3699890 -0.4940156 -0.3100699 -1.3200911 -0.2462063 -0.6126875 -0.3546647 -2.4637333 17 O -1.7288422 -0.3699890 0.4940156 -0.3100699 -1.3200911 0.2462063 0.6126875 0.3546647 -2.4637333 18 O -1.3347641 -0.1207272 -0.0592549 0.0188917 -2.1023153 -0.1504321 0.0303556 -0.1264114 -1.4935246 19 O -1.7288422 0.3699890 -0.4940156 0.3100699 -1.3200911 0.2462063 -0.6126875 0.3546647 -2.4637333 20 O -1.9797636 -0.3895131 -0.1244781 -0.3036122 -1.6120014 -0.0067528 -0.0701911 -0.0649486 -1.3992315 21 O -1.9797636 -0.3895131 0.1244781 -0.3036122 -1.6120014 0.0067528 0.0701911 0.0649486 -1.3992315 22 O -1.3347641 -0.1207272 0.0592549 0.0188917 -2.1023153 0.1504321 -0.0303556 0.1264114 -1.4935246 23 O -1.9797636 0.3895131 -0.1244781 0.3036122 -1.6120014 0.0067528 -0.0701911 0.0649486 -1.3992315 24 O -1.3347641 0.1207272 -0.0592549 -0.0188917 -2.1023153 0.1504321 0.0303556 0.1264114 -1.4935246 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3942 Number of blocks in projector: 3942 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (3942, 3888), data: False |-- (450, 444), data: True |-- (450, 444), data: True |-- (450, 444), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.295 Solver_block: 200 / 720 - Time: 1.266 Solver_block: 300 / 720 - Time: 1.244 Solver_block: 400 / 720 - Time: 1.267 Solver_block: 500 / 720 - Time: 1.247 Solver_block: 600 / 720 - Time: 1.278 Solver_block: 700 / 720 - Time: 1.272 Solver_block: 720 / 720 - Time: 0.388 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.465 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3942 Number of blocks in projector: 3942 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (3942, 3888), data: False |-- (450, 444), data: True |-- (450, 444), data: True |-- (450, 444), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:54:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:54:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.934678490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.768058330000000 Atomic positions (fractional): 1 K 0.38428229762893 0.73610002816108 0.52319365908541 39.098 2 K 0.88428229762893 0.76389997183892 0.52319365908541 39.098 3 K 0.11571770237107 0.23610002816108 0.02319365908541 39.098 4 K 0.61571770237107 0.26389997183892 0.02319365908541 39.098 5 Na 0.37769274401119 0.41761861357010 0.53922457705380 22.990 6 Na 0.12230725598881 0.91761861357010 0.03922457705380 22.990 7 Na 0.87769274401119 0.08238138642990 0.53922457705380 22.990 8 Na 0.62230725598881 0.58238138642990 0.03922457705380 22.990 9 Ge 0.87042973647105 0.44965999044889 0.50167004491847 72.640 10 Ge 0.12957026352895 0.55034000955110 0.00167004491847 72.640 11 Ge 0.62957026352895 0.94965999044890 0.00167004491847 72.640 12 Ge 0.37042973647105 0.05034000955110 0.50167004491847 72.640 13 O 0.41571952338209 0.03126991963097 0.12484875604410 15.999 14 O 0.66335536886578 0.53819658629503 0.55808826510272 15.999 15 O 0.36598247934311 0.20795231606243 0.56767468779551 15.999 16 O 0.08428047661791 0.53126991963097 0.62484875604410 15.999 17 O 0.91571952338209 0.46873008036903 0.12484875604410 15.999 18 O 0.13401752065690 0.70795231606243 0.06767468779551 15.999 19 O 0.58428047661791 0.96873008036903 0.62484875604410 15.999 20 O 0.83664463113422 0.03819658629503 0.05808826510272 15.999 21 O 0.16335536886578 0.96180341370497 0.55808826510272 15.999 22 O 0.86598247934310 0.29204768393757 0.56767468779551 15.999 23 O 0.33664463113422 0.46180341370497 0.05808826510272 15.999 24 O 0.63401752065690 0.79204768393757 0.06767468779551 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.869356979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.304174990000000 Atomic positions (fractional): 1 K 0.19214114881446 0.73610002816108 0.17439788636180 39.098 > 1 2 K 0.69214114881446 0.73610002816108 0.17439788636180 39.098 > 1 3 K 0.19214114881446 0.73610002816108 0.50773121969514 39.098 > 1 4 K 0.69214114881446 0.73610002816108 0.50773121969514 39.098 > 1 5 K 0.19214114881446 0.73610002816108 0.84106455302847 39.098 > 1 6 K 0.69214114881446 0.73610002816108 0.84106455302847 39.098 > 1 7 K 0.44214114881446 0.76389997183892 0.17439788636180 39.098 > 7 8 K 0.94214114881446 0.76389997183892 0.17439788636180 39.098 > 7 9 K 0.44214114881446 0.76389997183892 0.50773121969514 39.098 > 7 10 K 0.94214114881446 0.76389997183892 0.50773121969514 39.098 > 7 11 K 0.44214114881446 0.76389997183892 0.84106455302847 39.098 > 7 12 K 0.94214114881446 0.76389997183892 0.84106455302847 39.098 > 7 13 K 0.05785885118554 0.23610002816108 0.00773121969514 39.098 > 13 14 K 0.55785885118554 0.23610002816108 0.00773121969514 39.098 > 13 15 K 0.05785885118554 0.23610002816108 0.34106455302847 39.098 > 13 16 K 0.55785885118554 0.23610002816108 0.34106455302847 39.098 > 13 17 K 0.05785885118554 0.23610002816108 0.67439788636180 39.098 > 13 18 K 0.55785885118554 0.23610002816108 0.67439788636180 39.098 > 13 19 K 0.30785885118554 0.26389997183892 0.00773121969514 39.098 > 19 20 K 0.80785885118554 0.26389997183892 0.00773121969514 39.098 > 19 21 K 0.30785885118554 0.26389997183892 0.34106455302847 39.098 > 19 22 K 0.80785885118554 0.26389997183892 0.34106455302847 39.098 > 19 23 K 0.30785885118554 0.26389997183892 0.67439788636180 39.098 > 19 24 K 0.80785885118554 0.26389997183892 0.67439788636180 39.098 > 19 25 Na 0.18884637200560 0.41761861357010 0.17974152568460 22.990 > 25 26 Na 0.68884637200560 0.41761861357010 0.17974152568460 22.990 > 25 27 Na 0.18884637200560 0.41761861357010 0.51307485901793 22.990 > 25 28 Na 0.68884637200560 0.41761861357010 0.51307485901793 22.990 > 25 29 Na 0.18884637200560 0.41761861357010 0.84640819235127 22.990 > 25 30 Na 0.68884637200560 0.41761861357010 0.84640819235127 22.990 > 25 31 Na 0.06115362799440 0.91761861357010 0.01307485901793 22.990 > 31 32 Na 0.56115362799440 0.91761861357010 0.01307485901793 22.990 > 31 33 Na 0.06115362799440 0.91761861357010 0.34640819235127 22.990 > 31 34 Na 0.56115362799440 0.91761861357010 0.34640819235127 22.990 > 31 35 Na 0.06115362799440 0.91761861357010 0.67974152568460 22.990 > 31 36 Na 0.56115362799440 0.91761861357010 0.67974152568460 22.990 > 31 37 Na 0.43884637200560 0.08238138642990 0.17974152568460 22.990 > 37 38 Na 0.93884637200560 0.08238138642990 0.17974152568460 22.990 > 37 39 Na 0.43884637200560 0.08238138642990 0.51307485901793 22.990 > 37 40 Na 0.93884637200560 0.08238138642990 0.51307485901793 22.990 > 37 41 Na 0.43884637200560 0.08238138642990 0.84640819235127 22.990 > 37 42 Na 0.93884637200560 0.08238138642990 0.84640819235127 22.990 > 37 43 Na 0.31115362799440 0.58238138642990 0.01307485901793 22.990 > 43 44 Na 0.81115362799440 0.58238138642990 0.01307485901793 22.990 > 43 45 Na 0.31115362799440 0.58238138642990 0.34640819235127 22.990 > 43 46 Na 0.81115362799440 0.58238138642990 0.34640819235127 22.990 > 43 47 Na 0.31115362799440 0.58238138642990 0.67974152568460 22.990 > 43 48 Na 0.81115362799440 0.58238138642990 0.67974152568460 22.990 > 43 49 Ge 0.43521486823552 0.44965999044889 0.16722334830616 72.640 > 49 50 Ge 0.93521486823552 0.44965999044889 0.16722334830616 72.640 > 49 51 Ge 0.43521486823552 0.44965999044889 0.50055668163949 72.640 > 49 52 Ge 0.93521486823552 0.44965999044889 0.50055668163949 72.640 > 49 53 Ge 0.43521486823552 0.44965999044889 0.83389001497282 72.640 > 49 54 Ge 0.93521486823552 0.44965999044889 0.83389001497282 72.640 > 49 55 Ge 0.06478513176448 0.55034000955110 0.00055668163949 72.640 > 55 56 Ge 0.56478513176447 0.55034000955110 0.00055668163949 72.640 > 55 57 Ge 0.06478513176448 0.55034000955110 0.33389001497282 72.640 > 55 58 Ge 0.56478513176447 0.55034000955110 0.33389001497282 72.640 > 55 59 Ge 0.06478513176448 0.55034000955110 0.66722334830616 72.640 > 55 60 Ge 0.56478513176447 0.55034000955110 0.66722334830616 72.640 > 55 61 Ge 0.31478513176448 0.94965999044890 0.00055668163949 72.640 > 61 62 Ge 0.81478513176448 0.94965999044890 0.00055668163949 72.640 > 61 63 Ge 0.31478513176448 0.94965999044890 0.33389001497282 72.640 > 61 64 Ge 0.81478513176448 0.94965999044890 0.33389001497282 72.640 > 61 65 Ge 0.31478513176448 0.94965999044890 0.66722334830616 72.640 > 61 66 Ge 0.81478513176448 0.94965999044890 0.66722334830616 72.640 > 61 67 Ge 0.18521486823552 0.05034000955110 0.16722334830616 72.640 > 67 68 Ge 0.68521486823553 0.05034000955110 0.16722334830616 72.640 > 67 69 Ge 0.18521486823552 0.05034000955110 0.50055668163949 72.640 > 67 70 Ge 0.68521486823553 0.05034000955110 0.50055668163949 72.640 > 67 71 Ge 0.18521486823552 0.05034000955110 0.83389001497282 72.640 > 67 72 Ge 0.68521486823553 0.05034000955110 0.83389001497282 72.640 > 67 73 O 0.20785976169104 0.03126991963097 0.04161625201470 15.999 > 73 74 O 0.70785976169104 0.03126991963097 0.04161625201470 15.999 > 73 75 O 0.20785976169104 0.03126991963097 0.37494958534803 15.999 > 73 76 O 0.70785976169104 0.03126991963097 0.37494958534803 15.999 > 73 77 O 0.20785976169104 0.03126991963097 0.70828291868137 15.999 > 73 78 O 0.70785976169104 0.03126991963097 0.70828291868137 15.999 > 73 79 O 0.33167768443289 0.53819658629503 0.18602942170091 15.999 > 79 80 O 0.83167768443289 0.53819658629503 0.18602942170091 15.999 > 79 81 O 0.33167768443289 0.53819658629503 0.51936275503424 15.999 > 79 82 O 0.83167768443289 0.53819658629503 0.51936275503424 15.999 > 79 83 O 0.33167768443289 0.53819658629503 0.85269608836757 15.999 > 79 84 O 0.83167768443289 0.53819658629503 0.85269608836757 15.999 > 79 85 O 0.18299123967155 0.20795231606243 0.18922489593184 15.999 > 85 86 O 0.68299123967155 0.20795231606243 0.18922489593184 15.999 > 85 87 O 0.18299123967155 0.20795231606243 0.52255822926517 15.999 > 85 88 O 0.68299123967155 0.20795231606243 0.52255822926517 15.999 > 85 89 O 0.18299123967155 0.20795231606243 0.85589156259850 15.999 > 85 90 O 0.68299123967155 0.20795231606243 0.85589156259850 15.999 > 85 91 O 0.04214023830896 0.53126991963097 0.20828291868137 15.999 > 91 92 O 0.54214023830896 0.53126991963097 0.20828291868137 15.999 > 91 93 O 0.04214023830896 0.53126991963097 0.54161625201470 15.999 > 91 94 O 0.54214023830896 0.53126991963097 0.54161625201470 15.999 > 91 95 O 0.04214023830896 0.53126991963097 0.87494958534803 15.999 > 91 96 O 0.54214023830896 0.53126991963097 0.87494958534803 15.999 > 91 97 O 0.45785976169104 0.46873008036903 0.04161625201470 15.999 > 97 98 O 0.95785976169104 0.46873008036903 0.04161625201470 15.999 > 97 99 O 0.45785976169104 0.46873008036903 0.37494958534803 15.999 > 97 100 O 0.95785976169104 0.46873008036903 0.37494958534803 15.999 > 97 101 O 0.45785976169104 0.46873008036903 0.70828291868137 15.999 > 97 102 O 0.95785976169104 0.46873008036903 0.70828291868137 15.999 > 97 103 O 0.06700876032845 0.70795231606243 0.02255822926517 15.999 > 103 104 O 0.56700876032845 0.70795231606243 0.02255822926517 15.999 > 103 105 O 0.06700876032845 0.70795231606243 0.35589156259850 15.999 > 103 106 O 0.56700876032845 0.70795231606243 0.35589156259850 15.999 > 103 107 O 0.06700876032845 0.70795231606243 0.68922489593184 15.999 > 103 108 O 0.56700876032845 0.70795231606243 0.68922489593184 15.999 > 103 109 O 0.29214023830896 0.96873008036903 0.20828291868137 15.999 > 109 110 O 0.79214023830896 0.96873008036903 0.20828291868137 15.999 > 109 111 O 0.29214023830896 0.96873008036903 0.54161625201470 15.999 > 109 112 O 0.79214023830896 0.96873008036903 0.54161625201470 15.999 > 109 113 O 0.29214023830896 0.96873008036903 0.87494958534803 15.999 > 109 114 O 0.79214023830896 0.96873008036903 0.87494958534803 15.999 > 109 115 O 0.41832231556711 0.03819658629503 0.01936275503424 15.999 > 115 116 O 0.91832231556711 0.03819658629503 0.01936275503424 15.999 > 115 117 O 0.41832231556711 0.03819658629503 0.35269608836757 15.999 > 115 118 O 0.91832231556711 0.03819658629503 0.35269608836757 15.999 > 115 119 O 0.41832231556711 0.03819658629503 0.68602942170091 15.999 > 115 120 O 0.91832231556711 0.03819658629503 0.68602942170091 15.999 > 115 121 O 0.08167768443289 0.96180341370497 0.18602942170091 15.999 > 121 122 O 0.58167768443289 0.96180341370497 0.18602942170091 15.999 > 121 123 O 0.08167768443289 0.96180341370497 0.51936275503424 15.999 > 121 124 O 0.58167768443289 0.96180341370497 0.51936275503424 15.999 > 121 125 O 0.08167768443289 0.96180341370497 0.85269608836757 15.999 > 121 126 O 0.58167768443289 0.96180341370497 0.85269608836757 15.999 > 121 127 O 0.43299123967155 0.29204768393757 0.18922489593184 15.999 > 127 128 O 0.93299123967155 0.29204768393757 0.18922489593184 15.999 > 127 129 O 0.43299123967155 0.29204768393757 0.52255822926517 15.999 > 127 130 O 0.93299123967155 0.29204768393757 0.52255822926517 15.999 > 127 131 O 0.43299123967155 0.29204768393757 0.85589156259850 15.999 > 127 132 O 0.93299123967155 0.29204768393757 0.85589156259850 15.999 > 127 133 O 0.16832231556711 0.46180341370497 0.01936275503424 15.999 > 133 134 O 0.66832231556711 0.46180341370497 0.01936275503424 15.999 > 133 135 O 0.16832231556711 0.46180341370497 0.35269608836757 15.999 > 133 136 O 0.66832231556711 0.46180341370497 0.35269608836757 15.999 > 133 137 O 0.16832231556711 0.46180341370497 0.68602942170091 15.999 > 133 138 O 0.66832231556711 0.46180341370497 0.68602942170091 15.999 > 133 139 O 0.31700876032845 0.79204768393757 0.02255822926517 15.999 > 139 140 O 0.81700876032845 0.79204768393757 0.02255822926517 15.999 > 139 141 O 0.31700876032845 0.79204768393757 0.35589156259850 15.999 > 139 142 O 0.81700876032845 0.79204768393757 0.35589156259850 15.999 > 139 143 O 0.31700876032845 0.79204768393757 0.68922489593184 15.999 > 139 144 O 0.81700876032845 0.79204768393757 0.68922489593184 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8419851 0.0000000 0.0000000 0.0000000 2.8757613 0.0000000 0.0000000 0.0000000 2.9124584 -------------------------- Born effective charges -------------------------- 1 K 1.1791632 0.0623551 0.0057161 0.1409776 1.2458876 0.0071204 0.0068087 0.0237757 1.1691816 2 K 1.1791632 -0.0623551 0.0057161 -0.1409776 1.2458876 -0.0071204 0.0068087 -0.0237757 1.1691816 3 K 1.1791632 -0.0623551 -0.0057161 -0.1409776 1.2458876 0.0071204 -0.0068087 0.0237757 1.1691816 4 K 1.1791632 0.0623551 -0.0057161 0.1409776 1.2458876 -0.0071204 -0.0068087 -0.0237757 1.1691816 5 Na 1.1374954 -0.0364465 -0.0055503 -0.0121921 1.0543180 -0.0209092 -0.0306781 0.0150748 1.0232833 6 Na 1.1374954 0.0364465 0.0055503 0.0121921 1.0543180 -0.0209092 0.0306781 0.0150748 1.0232833 7 Na 1.1374954 0.0364465 -0.0055503 0.0121921 1.0543180 0.0209092 -0.0306781 -0.0150748 1.0232833 8 Na 1.1374954 -0.0364465 0.0055503 -0.0121921 1.0543180 0.0209092 0.0306781 -0.0150748 1.0232833 9 Ge 2.7267112 0.0961311 -0.3550049 0.0332014 2.7342023 -0.1908134 0.2436054 0.1207257 3.1640245 10 Ge 2.7267112 0.0961311 0.3550049 0.0332014 2.7342023 0.1908134 -0.2436054 -0.1207257 3.1640245 11 Ge 2.7267112 -0.0961311 0.3550049 -0.0332014 2.7342023 -0.1908134 -0.2436054 0.1207257 3.1640245 12 Ge 2.7267112 -0.0961311 -0.3550049 -0.0332014 2.7342023 0.1908134 0.2436054 -0.1207257 3.1640245 13 O -1.7288422 0.3699890 0.4940156 0.3100699 -1.3200911 -0.2462063 0.6126875 -0.3546647 -2.4637333 14 O -1.9797636 0.3895131 0.1244781 0.3036122 -1.6120014 -0.0067528 0.0701911 -0.0649486 -1.3992315 15 O -1.3347641 0.1207272 0.0592549 -0.0188917 -2.1023153 -0.1504321 -0.0303556 -0.1264114 -1.4935246 16 O -1.7288422 -0.3699890 -0.4940156 -0.3100699 -1.3200911 -0.2462063 -0.6126875 -0.3546647 -2.4637333 17 O -1.7288422 -0.3699890 0.4940156 -0.3100699 -1.3200911 0.2462063 0.6126875 0.3546647 -2.4637333 18 O -1.3347641 -0.1207272 -0.0592549 0.0188917 -2.1023153 -0.1504321 0.0303556 -0.1264114 -1.4935246 19 O -1.7288422 0.3699890 -0.4940156 0.3100699 -1.3200911 0.2462063 -0.6126875 0.3546647 -2.4637333 20 O -1.9797636 -0.3895131 -0.1244781 -0.3036122 -1.6120014 -0.0067528 -0.0701911 -0.0649486 -1.3992315 21 O -1.9797636 -0.3895131 0.1244781 -0.3036122 -1.6120014 0.0067528 0.0701911 0.0649486 -1.3992315 22 O -1.3347641 -0.1207272 0.0592549 0.0188917 -2.1023153 0.1504321 -0.0303556 0.1264114 -1.4935246 23 O -1.9797636 0.3895131 -0.1244781 0.3036122 -1.6120014 0.0067528 -0.0701911 0.0649486 -1.3992315 24 O -1.3347641 0.1207272 -0.0592549 -0.0188917 -2.1023153 0.1504321 0.0303556 0.1264114 -1.4935246 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:55:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.934678490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.768058330000000 Atomic positions (fractional): 1 K 0.38428229762893 0.73610002816108 0.52319365908541 39.098 2 K 0.88428229762893 0.76389997183892 0.52319365908541 39.098 3 K 0.11571770237107 0.23610002816108 0.02319365908541 39.098 4 K 0.61571770237107 0.26389997183892 0.02319365908541 39.098 5 Na 0.37769274401119 0.41761861357010 0.53922457705380 22.990 6 Na 0.12230725598881 0.91761861357010 0.03922457705380 22.990 7 Na 0.87769274401119 0.08238138642990 0.53922457705380 22.990 8 Na 0.62230725598881 0.58238138642990 0.03922457705380 22.990 9 Ge 0.87042973647105 0.44965999044889 0.50167004491847 72.640 10 Ge 0.12957026352895 0.55034000955110 0.00167004491847 72.640 11 Ge 0.62957026352895 0.94965999044890 0.00167004491847 72.640 12 Ge 0.37042973647105 0.05034000955110 0.50167004491847 72.640 13 O 0.41571952338209 0.03126991963097 0.12484875604410 15.999 14 O 0.66335536886578 0.53819658629503 0.55808826510272 15.999 15 O 0.36598247934311 0.20795231606243 0.56767468779551 15.999 16 O 0.08428047661791 0.53126991963097 0.62484875604410 15.999 17 O 0.91571952338209 0.46873008036903 0.12484875604410 15.999 18 O 0.13401752065690 0.70795231606243 0.06767468779551 15.999 19 O 0.58428047661791 0.96873008036903 0.62484875604410 15.999 20 O 0.83664463113422 0.03819658629503 0.05808826510272 15.999 21 O 0.16335536886578 0.96180341370497 0.55808826510272 15.999 22 O 0.86598247934310 0.29204768393757 0.56767468779551 15.999 23 O 0.33664463113422 0.46180341370497 0.05808826510272 15.999 24 O 0.63401752065690 0.79204768393757 0.06767468779551 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.869356979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702770080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.304174990000000 Atomic positions (fractional): 1 K 0.19214114881446 0.73610002816108 0.17439788636180 39.098 > 1 2 K 0.69214114881446 0.73610002816108 0.17439788636180 39.098 > 1 3 K 0.19214114881446 0.73610002816108 0.50773121969514 39.098 > 1 4 K 0.69214114881446 0.73610002816108 0.50773121969514 39.098 > 1 5 K 0.19214114881446 0.73610002816108 0.84106455302847 39.098 > 1 6 K 0.69214114881446 0.73610002816108 0.84106455302847 39.098 > 1 7 K 0.44214114881446 0.76389997183892 0.17439788636180 39.098 > 7 8 K 0.94214114881446 0.76389997183892 0.17439788636180 39.098 > 7 9 K 0.44214114881446 0.76389997183892 0.50773121969514 39.098 > 7 10 K 0.94214114881446 0.76389997183892 0.50773121969514 39.098 > 7 11 K 0.44214114881446 0.76389997183892 0.84106455302847 39.098 > 7 12 K 0.94214114881446 0.76389997183892 0.84106455302847 39.098 > 7 13 K 0.05785885118554 0.23610002816108 0.00773121969514 39.098 > 13 14 K 0.55785885118554 0.23610002816108 0.00773121969514 39.098 > 13 15 K 0.05785885118554 0.23610002816108 0.34106455302847 39.098 > 13 16 K 0.55785885118554 0.23610002816108 0.34106455302847 39.098 > 13 17 K 0.05785885118554 0.23610002816108 0.67439788636180 39.098 > 13 18 K 0.55785885118554 0.23610002816108 0.67439788636180 39.098 > 13 19 K 0.30785885118554 0.26389997183892 0.00773121969514 39.098 > 19 20 K 0.80785885118554 0.26389997183892 0.00773121969514 39.098 > 19 21 K 0.30785885118554 0.26389997183892 0.34106455302847 39.098 > 19 22 K 0.80785885118554 0.26389997183892 0.34106455302847 39.098 > 19 23 K 0.30785885118554 0.26389997183892 0.67439788636180 39.098 > 19 24 K 0.80785885118554 0.26389997183892 0.67439788636180 39.098 > 19 25 Na 0.18884637200560 0.41761861357010 0.17974152568460 22.990 > 25 26 Na 0.68884637200560 0.41761861357010 0.17974152568460 22.990 > 25 27 Na 0.18884637200560 0.41761861357010 0.51307485901793 22.990 > 25 28 Na 0.68884637200560 0.41761861357010 0.51307485901793 22.990 > 25 29 Na 0.18884637200560 0.41761861357010 0.84640819235127 22.990 > 25 30 Na 0.68884637200560 0.41761861357010 0.84640819235127 22.990 > 25 31 Na 0.06115362799440 0.91761861357010 0.01307485901793 22.990 > 31 32 Na 0.56115362799440 0.91761861357010 0.01307485901793 22.990 > 31 33 Na 0.06115362799440 0.91761861357010 0.34640819235127 22.990 > 31 34 Na 0.56115362799440 0.91761861357010 0.34640819235127 22.990 > 31 35 Na 0.06115362799440 0.91761861357010 0.67974152568460 22.990 > 31 36 Na 0.56115362799440 0.91761861357010 0.67974152568460 22.990 > 31 37 Na 0.43884637200560 0.08238138642990 0.17974152568460 22.990 > 37 38 Na 0.93884637200560 0.08238138642990 0.17974152568460 22.990 > 37 39 Na 0.43884637200560 0.08238138642990 0.51307485901793 22.990 > 37 40 Na 0.93884637200560 0.08238138642990 0.51307485901793 22.990 > 37 41 Na 0.43884637200560 0.08238138642990 0.84640819235127 22.990 > 37 42 Na 0.93884637200560 0.08238138642990 0.84640819235127 22.990 > 37 43 Na 0.31115362799440 0.58238138642990 0.01307485901793 22.990 > 43 44 Na 0.81115362799440 0.58238138642990 0.01307485901793 22.990 > 43 45 Na 0.31115362799440 0.58238138642990 0.34640819235127 22.990 > 43 46 Na 0.81115362799440 0.58238138642990 0.34640819235127 22.990 > 43 47 Na 0.31115362799440 0.58238138642990 0.67974152568460 22.990 > 43 48 Na 0.81115362799440 0.58238138642990 0.67974152568460 22.990 > 43 49 Ge 0.43521486823552 0.44965999044889 0.16722334830616 72.640 > 49 50 Ge 0.93521486823552 0.44965999044889 0.16722334830616 72.640 > 49 51 Ge 0.43521486823552 0.44965999044889 0.50055668163949 72.640 > 49 52 Ge 0.93521486823552 0.44965999044889 0.50055668163949 72.640 > 49 53 Ge 0.43521486823552 0.44965999044889 0.83389001497282 72.640 > 49 54 Ge 0.93521486823552 0.44965999044889 0.83389001497282 72.640 > 49 55 Ge 0.06478513176448 0.55034000955110 0.00055668163949 72.640 > 55 56 Ge 0.56478513176447 0.55034000955110 0.00055668163949 72.640 > 55 57 Ge 0.06478513176448 0.55034000955110 0.33389001497282 72.640 > 55 58 Ge 0.56478513176447 0.55034000955110 0.33389001497282 72.640 > 55 59 Ge 0.06478513176448 0.55034000955110 0.66722334830616 72.640 > 55 60 Ge 0.56478513176447 0.55034000955110 0.66722334830616 72.640 > 55 61 Ge 0.31478513176448 0.94965999044890 0.00055668163949 72.640 > 61 62 Ge 0.81478513176448 0.94965999044890 0.00055668163949 72.640 > 61 63 Ge 0.31478513176448 0.94965999044890 0.33389001497282 72.640 > 61 64 Ge 0.81478513176448 0.94965999044890 0.33389001497282 72.640 > 61 65 Ge 0.31478513176448 0.94965999044890 0.66722334830616 72.640 > 61 66 Ge 0.81478513176448 0.94965999044890 0.66722334830616 72.640 > 61 67 Ge 0.18521486823552 0.05034000955110 0.16722334830616 72.640 > 67 68 Ge 0.68521486823553 0.05034000955110 0.16722334830616 72.640 > 67 69 Ge 0.18521486823552 0.05034000955110 0.50055668163949 72.640 > 67 70 Ge 0.68521486823553 0.05034000955110 0.50055668163949 72.640 > 67 71 Ge 0.18521486823552 0.05034000955110 0.83389001497282 72.640 > 67 72 Ge 0.68521486823553 0.05034000955110 0.83389001497282 72.640 > 67 73 O 0.20785976169104 0.03126991963097 0.04161625201470 15.999 > 73 74 O 0.70785976169104 0.03126991963097 0.04161625201470 15.999 > 73 75 O 0.20785976169104 0.03126991963097 0.37494958534803 15.999 > 73 76 O 0.70785976169104 0.03126991963097 0.37494958534803 15.999 > 73 77 O 0.20785976169104 0.03126991963097 0.70828291868137 15.999 > 73 78 O 0.70785976169104 0.03126991963097 0.70828291868137 15.999 > 73 79 O 0.33167768443289 0.53819658629503 0.18602942170091 15.999 > 79 80 O 0.83167768443289 0.53819658629503 0.18602942170091 15.999 > 79 81 O 0.33167768443289 0.53819658629503 0.51936275503424 15.999 > 79 82 O 0.83167768443289 0.53819658629503 0.51936275503424 15.999 > 79 83 O 0.33167768443289 0.53819658629503 0.85269608836757 15.999 > 79 84 O 0.83167768443289 0.53819658629503 0.85269608836757 15.999 > 79 85 O 0.18299123967155 0.20795231606243 0.18922489593184 15.999 > 85 86 O 0.68299123967155 0.20795231606243 0.18922489593184 15.999 > 85 87 O 0.18299123967155 0.20795231606243 0.52255822926517 15.999 > 85 88 O 0.68299123967155 0.20795231606243 0.52255822926517 15.999 > 85 89 O 0.18299123967155 0.20795231606243 0.85589156259850 15.999 > 85 90 O 0.68299123967155 0.20795231606243 0.85589156259850 15.999 > 85 91 O 0.04214023830896 0.53126991963097 0.20828291868137 15.999 > 91 92 O 0.54214023830896 0.53126991963097 0.20828291868137 15.999 > 91 93 O 0.04214023830896 0.53126991963097 0.54161625201470 15.999 > 91 94 O 0.54214023830896 0.53126991963097 0.54161625201470 15.999 > 91 95 O 0.04214023830896 0.53126991963097 0.87494958534803 15.999 > 91 96 O 0.54214023830896 0.53126991963097 0.87494958534803 15.999 > 91 97 O 0.45785976169104 0.46873008036903 0.04161625201470 15.999 > 97 98 O 0.95785976169104 0.46873008036903 0.04161625201470 15.999 > 97 99 O 0.45785976169104 0.46873008036903 0.37494958534803 15.999 > 97 100 O 0.95785976169104 0.46873008036903 0.37494958534803 15.999 > 97 101 O 0.45785976169104 0.46873008036903 0.70828291868137 15.999 > 97 102 O 0.95785976169104 0.46873008036903 0.70828291868137 15.999 > 97 103 O 0.06700876032845 0.70795231606243 0.02255822926517 15.999 > 103 104 O 0.56700876032845 0.70795231606243 0.02255822926517 15.999 > 103 105 O 0.06700876032845 0.70795231606243 0.35589156259850 15.999 > 103 106 O 0.56700876032845 0.70795231606243 0.35589156259850 15.999 > 103 107 O 0.06700876032845 0.70795231606243 0.68922489593184 15.999 > 103 108 O 0.56700876032845 0.70795231606243 0.68922489593184 15.999 > 103 109 O 0.29214023830896 0.96873008036903 0.20828291868137 15.999 > 109 110 O 0.79214023830896 0.96873008036903 0.20828291868137 15.999 > 109 111 O 0.29214023830896 0.96873008036903 0.54161625201470 15.999 > 109 112 O 0.79214023830896 0.96873008036903 0.54161625201470 15.999 > 109 113 O 0.29214023830896 0.96873008036903 0.87494958534803 15.999 > 109 114 O 0.79214023830896 0.96873008036903 0.87494958534803 15.999 > 109 115 O 0.41832231556711 0.03819658629503 0.01936275503424 15.999 > 115 116 O 0.91832231556711 0.03819658629503 0.01936275503424 15.999 > 115 117 O 0.41832231556711 0.03819658629503 0.35269608836757 15.999 > 115 118 O 0.91832231556711 0.03819658629503 0.35269608836757 15.999 > 115 119 O 0.41832231556711 0.03819658629503 0.68602942170091 15.999 > 115 120 O 0.91832231556711 0.03819658629503 0.68602942170091 15.999 > 115 121 O 0.08167768443289 0.96180341370497 0.18602942170091 15.999 > 121 122 O 0.58167768443289 0.96180341370497 0.18602942170091 15.999 > 121 123 O 0.08167768443289 0.96180341370497 0.51936275503424 15.999 > 121 124 O 0.58167768443289 0.96180341370497 0.51936275503424 15.999 > 121 125 O 0.08167768443289 0.96180341370497 0.85269608836757 15.999 > 121 126 O 0.58167768443289 0.96180341370497 0.85269608836757 15.999 > 121 127 O 0.43299123967155 0.29204768393757 0.18922489593184 15.999 > 127 128 O 0.93299123967155 0.29204768393757 0.18922489593184 15.999 > 127 129 O 0.43299123967155 0.29204768393757 0.52255822926517 15.999 > 127 130 O 0.93299123967155 0.29204768393757 0.52255822926517 15.999 > 127 131 O 0.43299123967155 0.29204768393757 0.85589156259850 15.999 > 127 132 O 0.93299123967155 0.29204768393757 0.85589156259850 15.999 > 127 133 O 0.16832231556711 0.46180341370497 0.01936275503424 15.999 > 133 134 O 0.66832231556711 0.46180341370497 0.01936275503424 15.999 > 133 135 O 0.16832231556711 0.46180341370497 0.35269608836757 15.999 > 133 136 O 0.66832231556711 0.46180341370497 0.35269608836757 15.999 > 133 137 O 0.16832231556711 0.46180341370497 0.68602942170091 15.999 > 133 138 O 0.66832231556711 0.46180341370497 0.68602942170091 15.999 > 133 139 O 0.31700876032845 0.79204768393757 0.02255822926517 15.999 > 139 140 O 0.81700876032845 0.79204768393757 0.02255822926517 15.999 > 139 141 O 0.31700876032845 0.79204768393757 0.35589156259850 15.999 > 139 142 O 0.81700876032845 0.79204768393757 0.35589156259850 15.999 > 139 143 O 0.31700876032845 0.79204768393757 0.68922489593184 15.999 > 139 144 O 0.81700876032845 0.79204768393757 0.68922489593184 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8419851 0.0000000 0.0000000 0.0000000 2.8757613 0.0000000 0.0000000 0.0000000 2.9124584 -------------------------- Born effective charges -------------------------- 1 K 1.1791632 0.0623551 0.0057161 0.1409776 1.2458876 0.0071204 0.0068087 0.0237757 1.1691816 2 K 1.1791632 -0.0623551 0.0057161 -0.1409776 1.2458876 -0.0071204 0.0068087 -0.0237757 1.1691816 3 K 1.1791632 -0.0623551 -0.0057161 -0.1409776 1.2458876 0.0071204 -0.0068087 0.0237757 1.1691816 4 K 1.1791632 0.0623551 -0.0057161 0.1409776 1.2458876 -0.0071204 -0.0068087 -0.0237757 1.1691816 5 Na 1.1374954 -0.0364465 -0.0055503 -0.0121921 1.0543180 -0.0209092 -0.0306781 0.0150748 1.0232833 6 Na 1.1374954 0.0364465 0.0055503 0.0121921 1.0543180 -0.0209092 0.0306781 0.0150748 1.0232833 7 Na 1.1374954 0.0364465 -0.0055503 0.0121921 1.0543180 0.0209092 -0.0306781 -0.0150748 1.0232833 8 Na 1.1374954 -0.0364465 0.0055503 -0.0121921 1.0543180 0.0209092 0.0306781 -0.0150748 1.0232833 9 Ge 2.7267112 0.0961311 -0.3550049 0.0332014 2.7342023 -0.1908134 0.2436054 0.1207257 3.1640245 10 Ge 2.7267112 0.0961311 0.3550049 0.0332014 2.7342023 0.1908134 -0.2436054 -0.1207257 3.1640245 11 Ge 2.7267112 -0.0961311 0.3550049 -0.0332014 2.7342023 -0.1908134 -0.2436054 0.1207257 3.1640245 12 Ge 2.7267112 -0.0961311 -0.3550049 -0.0332014 2.7342023 0.1908134 0.2436054 -0.1207257 3.1640245 13 O -1.7288422 0.3699890 0.4940156 0.3100699 -1.3200911 -0.2462063 0.6126875 -0.3546647 -2.4637333 14 O -1.9797636 0.3895131 0.1244781 0.3036122 -1.6120014 -0.0067528 0.0701911 -0.0649486 -1.3992315 15 O -1.3347641 0.1207272 0.0592549 -0.0188917 -2.1023153 -0.1504321 -0.0303556 -0.1264114 -1.4935246 16 O -1.7288422 -0.3699890 -0.4940156 -0.3100699 -1.3200911 -0.2462063 -0.6126875 -0.3546647 -2.4637333 17 O -1.7288422 -0.3699890 0.4940156 -0.3100699 -1.3200911 0.2462063 0.6126875 0.3546647 -2.4637333 18 O -1.3347641 -0.1207272 -0.0592549 0.0188917 -2.1023153 -0.1504321 0.0303556 -0.1264114 -1.4935246 19 O -1.7288422 0.3699890 -0.4940156 0.3100699 -1.3200911 0.2462063 -0.6126875 0.3546647 -2.4637333 20 O -1.9797636 -0.3895131 -0.1244781 -0.3036122 -1.6120014 -0.0067528 -0.0701911 -0.0649486 -1.3992315 21 O -1.9797636 -0.3895131 0.1244781 -0.3036122 -1.6120014 0.0067528 0.0701911 0.0649486 -1.3992315 22 O -1.3347641 -0.1207272 0.0592549 0.0188917 -2.1023153 0.1504321 -0.0303556 0.1264114 -1.4935246 23 O -1.9797636 0.3895131 -0.1244781 0.3036122 -1.6120014 0.0067528 -0.0701911 0.0649486 -1.3992315 24 O -1.3347641 0.1207272 -0.0592549 -0.0188917 -2.1023153 0.1504321 0.0303556 0.1264114 -1.4935246 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 10 ] 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: 0.59, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 -0.000) 0.000 2.282 ( 0.000 0.000 -0.000) 0.000 2.485 ( 0.000 0.000 -0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 -0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 -0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 -0.000) 0.000 3.592 ( 0.000 0.000 -0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 -0.000) 0.000 4.671 ( 0.000 0.000 -0.000) 0.000 4.676 ( 0.000 0.000 -0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 -0.000) 0.000 5.735 ( 0.000 0.000 -0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 -0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 -0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 -0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 -0.000) 0.000 8.885 ( 0.000 0.000 -0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 11.240 ( 0.000 0.000 0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 13.188 ( 0.000 0.000 -0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 -0.000) 0.000 16.008 ( 0.000 0.000 -0.000) 0.000 19.592 ( 0.000 0.000 0.000) 0.000 19.600 ( 0.000 0.000 0.000) 0.000 20.554 ( 0.000 0.000 -0.000) 0.000 20.751 ( 0.000 0.000 -0.000) 0.000 22.188 ( 0.000 0.000 0.000) 0.000 22.355 ( 0.000 0.000 -0.000) 0.000 22.369 ( 0.000 0.000 0.000) 0.000 22.734 ( 0.000 0.000 0.000) 0.000 23.428 ( 0.000 0.000 -0.000) 0.000 23.809 ( 0.000 0.000 0.000) 0.000 24.357 ( 0.000 0.000 0.000) 0.000 24.477 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 21.986 0.000 0.000) 21.986 0.689 ( 32.616 0.000 0.000) 32.616 0.885 ( 40.735 0.000 0.000) 40.735 1.974 ( 29.034 0.000 0.000) 29.034 2.051 ( 14.301 0.000 0.000) 14.301 2.155 ( 7.191 0.000 0.000) 7.191 2.473 ( 1.963 0.000 0.000) 1.963 2.479 ( -0.190 0.000 0.000) 0.190 2.644 ( -0.793 0.000 0.000) 0.793 2.697 ( -3.309 0.000 0.000) 3.309 3.012 ( 14.976 0.000 0.000) 14.976 3.099 ( 1.550 0.000 0.000) 1.550 3.425 ( 4.213 0.000 0.000) 4.213 3.470 ( -1.346 0.000 0.000) 1.346 3.606 ( 1.153 0.000 0.000) 1.153 3.757 ( -7.227 0.000 0.000) 7.227 3.823 ( 5.652 0.000 0.000) 5.652 4.034 ( 5.706 0.000 0.000) 5.706 4.398 ( -13.606 0.000 0.000) 13.606 4.485 ( -4.000 0.000 0.000) 4.000 4.652 ( -3.635 0.000 0.000) 3.635 4.665 ( 2.051 0.000 0.000) 2.051 4.749 ( -2.283 0.000 0.000) 2.283 4.771 ( 7.755 0.000 0.000) 7.755 4.933 ( 3.032 0.000 0.000) 3.032 5.272 ( -2.922 0.000 0.000) 2.922 5.345 ( 4.169 0.000 0.000) 4.169 5.463 ( -2.206 0.000 0.000) 2.206 5.557 ( -9.498 0.000 0.000) 9.498 5.775 ( 4.495 0.000 0.000) 4.495 5.949 ( 8.109 0.000 0.000) 8.109 6.008 ( -6.146 0.000 0.000) 6.146 6.187 ( 3.560 0.000 0.000) 3.560 6.193 ( -1.235 0.000 0.000) 1.235 6.379 ( -6.976 0.000 0.000) 6.976 6.666 ( -3.035 0.000 0.000) 3.035 6.915 ( 0.060 0.000 0.000) 0.060 7.010 ( -0.508 0.000 0.000) 0.508 7.306 ( 1.649 0.000 0.000) 1.649 7.393 ( -1.555 0.000 0.000) 1.555 7.495 ( -6.140 0.000 0.000) 6.140 7.726 ( -1.117 0.000 0.000) 1.117 7.819 ( -3.499 0.000 0.000) 3.499 7.846 ( 0.622 0.000 0.000) 0.622 8.278 ( 1.760 0.000 0.000) 1.760 8.315 ( 0.660 0.000 0.000) 0.660 9.103 ( -0.202 0.000 0.000) 0.202 9.253 ( 3.825 0.000 0.000) 3.825 9.292 ( 6.240 0.000 0.000) 6.240 9.696 ( -9.499 0.000 0.000) 9.499 9.867 ( -2.617 0.000 0.000) 2.617 9.900 ( -1.982 0.000 0.000) 1.982 10.087 ( 8.660 0.000 0.000) 8.660 10.395 ( -0.926 0.000 0.000) 0.926 11.255 ( 1.451 0.000 0.000) 1.451 11.967 ( -4.770 0.000 0.000) 4.770 13.191 ( 0.241 0.000 0.000) 0.241 13.197 ( 0.194 0.000 0.000) 0.194 15.994 ( 3.813 0.000 0.000) 3.813 16.409 ( -1.893 0.000 0.000) 1.893 19.594 ( 0.153 0.000 0.000) 0.153 19.598 ( -0.156 0.000 0.000) 0.156 20.870 ( 11.072 0.000 0.000) 11.072 22.156 ( -3.062 0.000 0.000) 3.062 22.361 ( 0.647 0.000 0.000) 0.647 22.389 ( 1.736 0.000 0.000) 1.736 22.439 ( 0.477 0.000 0.000) 0.477 22.722 ( -2.157 0.000 0.000) 2.157 23.448 ( 1.980 0.000 0.000) 1.980 23.798 ( -1.114 0.000 0.000) 1.114 24.398 ( -4.522 0.000 0.000) 4.522 24.445 ( -2.979 0.000 0.000) 2.979 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 22.895 0.000 0.000) 22.895 1.326 ( 28.799 0.000 0.000) 28.799 1.629 ( 29.330 0.000 0.000) 29.330 2.288 ( -1.592 0.000 0.000) 1.592 2.296 ( 3.459 0.000 0.000) 3.459 2.442 ( 2.150 0.000 0.000) 2.150 2.494 ( 6.585 0.000 0.000) 6.585 2.546 ( 3.426 0.000 0.000) 3.426 2.683 ( 19.023 0.000 0.000) 19.023 2.723 ( 10.042 0.000 0.000) 10.042 3.228 ( 2.902 0.000 0.000) 2.902 3.266 ( 10.179 0.000 0.000) 10.179 3.479 ( 2.947 0.000 0.000) 2.947 3.570 ( -7.142 0.000 0.000) 7.142 3.634 ( 19.068 0.000 0.000) 19.068 3.666 ( 1.020 0.000 0.000) 1.020 3.974 ( 8.334 0.000 0.000) 8.334 4.058 ( -13.835 0.000 0.000) 13.835 4.178 ( 3.636 0.000 0.000) 3.636 4.376 ( -5.963 0.000 0.000) 5.963 4.538 ( -6.526 0.000 0.000) 6.526 4.663 ( -5.093 0.000 0.000) 5.093 4.708 ( 0.555 0.000 0.000) 0.555 4.913 ( 4.929 0.000 0.000) 4.929 5.019 ( 5.713 0.000 0.000) 5.713 5.201 ( -3.367 0.000 0.000) 3.367 5.330 ( -12.530 0.000 0.000) 12.530 5.452 ( 4.603 0.000 0.000) 4.603 5.514 ( 7.841 0.000 0.000) 7.841 5.818 ( -9.310 0.000 0.000) 9.310 5.871 ( 3.434 0.000 0.000) 3.434 6.112 ( 5.846 0.000 0.000) 5.846 6.136 ( -7.446 0.000 0.000) 7.446 6.213 ( -5.270 0.000 0.000) 5.270 6.274 ( 4.275 0.000 0.000) 4.275 6.530 ( -8.592 0.000 0.000) 8.592 6.905 ( -1.020 0.000 0.000) 1.020 6.993 ( -2.003 0.000 0.000) 2.003 7.312 ( -4.740 0.000 0.000) 4.740 7.317 ( -0.901 0.000 0.000) 0.901 7.444 ( 0.835 0.000 0.000) 0.835 7.662 ( -5.070 0.000 0.000) 5.070 7.782 ( 0.093 0.000 0.000) 0.093 7.825 ( -2.353 0.000 0.000) 2.353 8.320 ( 2.022 0.000 0.000) 2.022 8.323 ( 0.338 0.000 0.000) 0.338 9.149 ( 4.194 0.000 0.000) 4.194 9.358 ( 6.037 0.000 0.000) 6.037 9.415 ( 5.535 0.000 0.000) 5.535 9.511 ( -8.206 0.000 0.000) 8.206 9.796 ( -4.007 0.000 0.000) 4.007 9.838 ( -4.006 0.000 0.000) 4.006 10.248 ( 6.817 0.000 0.000) 6.817 10.386 ( 0.265 0.000 0.000) 0.265 11.307 ( 3.877 0.000 0.000) 3.877 11.824 ( -8.883 0.000 0.000) 8.883 13.197 ( 0.324 0.000 0.000) 0.324 13.201 ( 0.214 0.000 0.000) 0.214 16.091 ( 5.165 0.000 0.000) 5.165 16.357 ( -3.127 0.000 0.000) 3.127 19.596 ( -0.015 0.000 0.000) 0.015 19.597 ( 0.129 0.000 0.000) 0.129 21.173 ( 17.301 0.000 0.000) 17.301 22.057 ( -6.909 0.000 0.000) 6.909 22.381 ( 1.226 0.000 0.000) 1.226 22.436 ( 2.686 0.000 0.000) 2.686 22.444 ( -0.140 0.000 0.000) 0.140 22.657 ( -3.931 0.000 0.000) 3.931 23.507 ( 3.707 0.000 0.000) 3.707 23.762 ( -2.508 0.000 0.000) 2.508 24.296 ( -4.439 0.000 0.000) 4.439 24.365 ( -4.382 0.000 0.000) 4.382 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 22.341 0.000 0.000) 22.341 1.790 ( -14.430 0.000 0.000) 14.430 1.858 ( 21.906 0.000 0.000) 21.906 2.215 ( -11.484 0.000 0.000) 11.484 2.343 ( 11.830 0.000 0.000) 11.830 2.473 ( -3.646 0.000 0.000) 3.646 2.534 ( 5.536 0.000 0.000) 5.536 2.620 ( 2.148 0.000 0.000) 2.148 3.011 ( 6.246 0.000 0.000) 6.246 3.037 ( 12.336 0.000 0.000) 12.336 3.169 ( 0.389 0.000 0.000) 0.389 3.404 ( -9.915 0.000 0.000) 9.915 3.481 ( 6.290 0.000 0.000) 6.290 3.620 ( -8.343 0.000 0.000) 8.343 3.624 ( 11.931 0.000 0.000) 11.931 3.830 ( -6.289 0.000 0.000) 6.289 4.039 ( 16.895 0.000 0.000) 16.895 4.135 ( 6.607 0.000 0.000) 6.607 4.217 ( -1.432 0.000 0.000) 1.432 4.285 ( -6.091 0.000 0.000) 6.091 4.472 ( 4.092 0.000 0.000) 4.092 4.620 ( 4.633 0.000 0.000) 4.633 4.630 ( -7.536 0.000 0.000) 7.536 4.881 ( -13.463 0.000 0.000) 13.463 5.111 ( -2.048 0.000 0.000) 2.048 5.140 ( -2.560 0.000 0.000) 2.560 5.229 ( 14.207 0.000 0.000) 14.207 5.468 ( -4.867 0.000 0.000) 4.867 5.673 ( 0.893 0.000 0.000) 0.893 5.768 ( 10.363 0.000 0.000) 10.363 5.792 ( -10.931 0.000 0.000) 10.931 5.963 ( -6.489 0.000 0.000) 6.489 6.191 ( 1.768 0.000 0.000) 1.768 6.192 ( 0.778 0.000 0.000) 0.778 6.338 ( 1.760 0.000 0.000) 1.760 6.383 ( -4.307 0.000 0.000) 4.307 6.894 ( 0.562 0.000 0.000) 0.562 6.934 ( -3.030 0.000 0.000) 3.030 7.250 ( -1.043 0.000 0.000) 1.043 7.271 ( -2.639 0.000 0.000) 2.639 7.493 ( 3.597 0.000 0.000) 3.597 7.572 ( -3.774 0.000 0.000) 3.774 7.772 ( -0.820 0.000 0.000) 0.820 7.777 ( -1.585 0.000 0.000) 1.585 8.338 ( 0.977 0.000 0.000) 0.977 8.347 ( 0.383 0.000 0.000) 0.383 9.249 ( 5.113 0.000 0.000) 5.113 9.363 ( -6.196 0.000 0.000) 6.196 9.481 ( 5.122 0.000 0.000) 5.122 9.511 ( 2.938 0.000 0.000) 2.938 9.719 ( -2.553 0.000 0.000) 2.553 9.745 ( -4.323 0.000 0.000) 4.323 10.358 ( 3.603 0.000 0.000) 3.603 10.394 ( -0.123 0.000 0.000) 0.123 11.426 ( 7.815 0.000 0.000) 7.815 11.619 ( -10.362 0.000 0.000) 10.362 13.203 ( 0.195 0.000 0.000) 0.195 13.204 ( 0.045 0.000 0.000) 0.045 16.195 ( 4.721 0.000 0.000) 4.721 16.284 ( -3.919 0.000 0.000) 3.919 19.597 ( 0.090 0.000 0.000) 0.090 19.598 ( -0.014 0.000 0.000) 0.014 21.540 ( 17.410 0.000 0.000) 17.410 21.857 ( -12.735 0.000 0.000) 12.735 22.408 ( 1.300 0.000 0.000) 1.300 22.432 ( -0.957 0.000 0.000) 0.957 22.497 ( 3.306 0.000 0.000) 3.306 22.573 ( -4.000 0.000 0.000) 4.000 23.596 ( 4.711 0.000 0.000) 4.711 23.691 ( -4.256 0.000 0.000) 4.256 24.244 ( -0.228 0.000 0.000) 0.228 24.281 ( -3.375 0.000 0.000) 3.375 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 0.000 21.790 0.000) 21.790 0.539 ( 0.000 28.410 0.000) 28.410 1.050 ( 0.000 53.617 0.000) 53.617 1.452 ( 0.000 -12.834 0.000) 12.834 1.911 ( 0.000 -15.905 0.000) 15.905 2.071 ( 0.000 13.270 0.000) 13.270 2.277 ( 0.000 -0.265 0.000) 0.265 2.473 ( 0.000 -1.015 0.000) 1.015 2.616 ( 0.000 -0.608 0.000) 0.608 2.832 ( 0.000 5.900 0.000) 5.900 2.866 ( 0.000 3.564 0.000) 3.564 2.954 ( 0.000 -1.026 0.000) 1.026 3.181 ( 0.000 -1.173 0.000) 1.173 3.400 ( 0.000 3.410 0.000) 3.410 3.460 ( 0.000 -3.172 0.000) 3.172 3.664 ( 0.000 6.430 0.000) 6.430 3.857 ( 0.000 -2.153 0.000) 2.153 3.877 ( 0.000 -6.222 0.000) 6.222 4.264 ( 0.000 -20.838 0.000) 20.838 4.382 ( 0.000 -11.710 0.000) 11.710 4.627 ( 0.000 -2.289 0.000) 2.289 4.751 ( 0.000 0.037 0.000) 0.037 4.790 ( 0.000 0.007 0.000) 0.007 4.935 ( 0.000 6.326 0.000) 6.326 5.159 ( 0.000 -4.552 0.000) 4.552 5.316 ( 0.000 1.739 0.000) 1.739 5.440 ( 0.000 0.352 0.000) 0.352 5.497 ( 0.000 -0.493 0.000) 0.493 5.705 ( 0.000 0.110 0.000) 0.110 5.759 ( 0.000 -0.860 0.000) 0.860 5.838 ( 0.000 7.319 0.000) 7.319 6.162 ( 0.000 7.299 0.000) 7.299 6.175 ( 0.000 -1.633 0.000) 1.633 6.192 ( 0.000 2.648 0.000) 2.648 6.448 ( 0.000 -1.053 0.000) 1.053 6.656 ( 0.000 -2.102 0.000) 2.102 6.743 ( 0.000 3.751 0.000) 3.751 6.909 ( 0.000 -0.576 0.000) 0.576 7.276 ( 0.000 -0.220 0.000) 0.220 7.339 ( 0.000 -7.025 0.000) 7.025 7.614 ( 0.000 4.560 0.000) 4.560 7.726 ( 0.000 -1.518 0.000) 1.518 7.815 ( 0.000 -3.512 0.000) 3.512 7.878 ( 0.000 3.405 0.000) 3.405 8.251 ( 0.000 -0.625 0.000) 0.625 8.294 ( 0.000 -1.030 0.000) 1.030 8.958 ( 0.000 7.089 0.000) 7.089 9.192 ( 0.000 -0.028 0.000) 0.028 9.207 ( 0.000 -0.492 0.000) 0.492 9.391 ( 0.000 -4.494 0.000) 4.494 9.899 ( 0.000 0.258 0.000) 0.258 9.915 ( 0.000 -0.425 0.000) 0.425 9.937 ( 0.000 4.983 0.000) 4.983 10.357 ( 0.000 -5.159 0.000) 5.159 12.017 ( 0.000 0.578 0.000) 0.578 12.038 ( 0.000 0.010 0.000) 0.010 13.189 ( 0.000 0.082 0.000) 0.082 13.194 ( 0.000 -0.044 0.000) 0.044 16.011 ( 0.000 0.246 0.000) 0.246 16.032 ( 0.000 -0.282 0.000) 0.282 19.593 ( 0.000 0.095 0.000) 0.095 19.599 ( 0.000 -0.065 0.000) 0.065 20.571 ( 0.000 1.779 0.000) 1.779 20.730 ( 0.000 -2.139 0.000) 2.139 22.207 ( 0.000 1.925 0.000) 1.925 22.352 ( 0.000 -1.724 0.000) 1.724 22.725 ( 0.000 0.192 0.000) 0.192 22.735 ( 0.000 0.054 0.000) 0.054 23.842 ( 0.000 3.418 0.000) 3.418 24.230 ( 0.000 -8.820 0.000) 8.820 24.598 ( 0.000 8.217 0.000) 8.217 24.935 ( 0.000 -2.749 0.000) 2.749 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 19.945 19.185 0.000) 27.675 0.867 ( 25.319 16.957 0.000) 30.473 1.257 ( 22.708 38.857 0.000) 45.005 1.756 ( 24.902 -13.289 0.000) 28.226 1.997 ( 7.659 -15.076 0.000) 16.910 2.271 ( 16.765 12.480 0.000) 20.900 2.360 ( 1.579 -5.980 0.000) 6.185 2.471 ( 1.833 -0.566 0.000) 1.918 2.660 ( 2.528 3.115 0.000) 4.012 2.820 ( -1.951 6.090 0.000) 6.394 3.011 ( 8.528 -1.797 0.000) 8.715 3.057 ( 8.011 -1.737 0.000) 8.197 3.356 ( 9.030 -8.216 0.000) 12.208 3.438 ( -0.442 -2.053 0.000) 2.100 3.571 ( 12.915 -5.771 0.000) 14.145 3.688 ( 2.372 6.489 0.000) 6.909 3.695 ( -6.518 -6.291 0.000) 9.059 4.038 ( 7.698 -1.655 0.000) 7.874 4.267 ( -5.841 -15.833 0.000) 16.876 4.318 ( -0.174 -12.056 0.000) 12.058 4.580 ( -4.420 -3.168 0.000) 5.438 4.730 ( -2.855 -1.270 0.000) 3.124 4.780 ( -7.119 1.772 0.000) 7.336 4.908 ( -4.834 2.052 0.000) 5.251 4.929 ( -0.292 7.014 0.000) 7.020 5.313 ( -2.086 3.142 0.000) 3.771 5.351 ( -1.748 -0.371 0.000) 1.787 5.452 ( -1.981 -0.990 0.000) 2.215 5.656 ( -2.614 7.167 0.000) 7.629 5.810 ( 3.099 3.255 0.000) 4.494 5.937 ( 7.304 -0.658 0.000) 7.334 6.084 ( -7.018 6.876 0.000) 9.825 6.170 ( -1.014 -2.267 0.000) 2.484 6.213 ( 1.822 2.388 0.000) 3.003 6.392 ( -6.454 0.530 0.000) 6.476 6.632 ( -3.723 -3.692 0.000) 5.243 6.881 ( 4.184 -2.418 0.000) 4.832 6.990 ( 5.617 -1.449 0.000) 5.801 7.194 ( -1.674 -1.310 0.000) 2.126 7.400 ( 0.374 -3.618 0.000) 3.637 7.530 ( -6.630 3.398 0.000) 7.450 7.718 ( -2.231 -1.236 0.000) 2.550 7.798 ( -0.968 -0.900 0.000) 1.322 7.927 ( 1.297 3.414 0.000) 3.652 8.271 ( 1.951 -0.687 0.000) 2.068 8.306 ( 0.767 -0.938 0.000) 1.212 9.079 ( 3.684 -0.669 0.000) 3.744 9.223 ( 4.750 -2.748 0.000) 5.487 9.273 ( 5.947 0.087 0.000) 5.947 9.531 ( 4.182 -10.323 0.000) 11.138 9.870 ( -2.955 -0.174 0.000) 2.960 9.890 ( -1.576 -0.819 0.000) 1.776 9.982 ( 6.509 2.197 0.000) 6.870 10.379 ( 1.800 -4.525 0.000) 4.870 11.637 ( -18.910 19.744 0.000) 27.339 11.962 ( -5.606 -0.609 0.000) 5.639 13.192 ( 0.237 0.087 0.000) 0.252 13.196 ( 0.198 -0.042 0.000) 0.202 16.009 ( 3.411 1.471 0.000) 3.714 16.255 ( 6.521 -10.146 0.000) 12.061 19.592 ( 0.044 -0.060 0.000) 0.074 19.598 ( -0.098 -0.046 0.000) 0.108 20.858 ( 11.799 -1.081 0.000) 11.848 21.246 ( 36.879 -36.558 0.000) 51.928 22.200 ( -0.555 2.138 0.000) 2.209 22.368 ( 1.429 -2.006 0.000) 2.463 22.694 ( -2.623 1.824 0.000) 3.195 22.721 ( -1.851 -0.082 0.000) 1.853 23.831 ( -1.082 3.506 0.000) 3.669 24.109 ( -14.765 10.199 0.000) 17.945 24.393 ( -16.439 13.043 0.000) 20.985 24.570 ( -8.427 7.423 0.000) 11.230 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 15.133 18.866 0.000) 24.185 1.410 ( 25.946 8.808 0.000) 27.400 1.831 ( 24.928 20.013 0.000) 31.967 2.161 ( 7.278 -13.505 0.000) 15.341 2.231 ( 0.011 -12.433 0.000) 12.433 2.309 ( 14.208 -0.373 0.000) 14.212 2.444 ( 2.274 -1.392 0.000) 2.666 2.637 ( -1.840 5.450 0.000) 5.752 2.790 ( 11.436 8.900 0.000) 14.491 2.854 ( 14.711 9.186 0.000) 17.343 3.199 ( 2.547 -3.057 0.000) 3.979 3.233 ( 10.544 -3.522 0.000) 11.116 3.429 ( 0.393 -4.754 0.000) 4.770 3.540 ( -0.614 -3.390 0.000) 3.445 3.607 ( 11.562 -3.317 0.000) 12.029 3.731 ( 5.187 6.739 0.000) 8.504 3.858 ( 7.361 -8.528 0.000) 11.266 4.047 ( -8.275 -1.999 0.000) 8.513 4.200 ( 6.371 -0.089 0.000) 6.372 4.344 ( -1.764 -7.425 0.000) 7.632 4.449 ( -6.152 -4.310 0.000) 7.511 4.618 ( -5.301 -1.916 0.000) 5.637 4.659 ( -2.375 -3.825 0.000) 4.502 4.877 ( -2.071 -6.358 0.000) 6.687 4.970 ( 2.821 1.387 0.000) 3.144 5.207 ( -6.012 -1.918 0.000) 6.311 5.375 ( 2.507 2.901 0.000) 3.834 5.528 ( -0.311 5.278 0.000) 5.287 5.556 ( 1.285 4.453 0.000) 4.635 5.880 ( -3.917 5.561 0.000) 6.802 5.899 ( -2.541 2.958 0.000) 3.899 6.060 ( -1.212 -3.582 0.000) 3.781 6.127 ( -0.903 -1.656 0.000) 1.886 6.199 ( -2.362 -0.491 0.000) 2.413 6.317 ( 1.462 2.655 0.000) 3.031 6.504 ( -7.600 -2.950 0.000) 8.152 6.911 ( -0.135 1.249 0.000) 1.257 7.037 ( -1.435 3.699 0.000) 3.968 7.210 ( 2.065 -4.867 0.000) 5.287 7.355 ( -4.237 -0.113 0.000) 4.238 7.425 ( -2.220 -0.067 0.000) 2.221 7.618 ( -5.724 -3.772 0.000) 6.855 7.813 ( 1.125 2.748 0.000) 2.969 7.904 ( -2.771 4.894 0.000) 5.624 8.316 ( 1.161 -0.503 0.000) 1.265 8.319 ( 1.619 -0.422 0.000) 1.673 9.156 ( 4.589 0.962 0.000) 4.689 9.344 ( 6.335 -2.490 0.000) 6.806 9.395 ( 4.986 -0.762 0.000) 5.043 9.486 ( -5.030 -2.255 0.000) 5.513 9.797 ( -3.941 0.058 0.000) 3.941 9.834 ( -3.854 -0.514 0.000) 3.889 10.173 ( 9.696 -2.016 0.000) 9.903 10.425 ( 2.309 -0.628 0.000) 2.393 11.417 ( -4.121 9.825 0.000) 10.654 11.802 ( -9.522 -2.376 0.000) 9.814 13.198 ( 0.307 0.067 0.000) 0.315 13.201 ( 0.225 -0.028 0.000) 0.226 16.099 ( 4.768 0.921 0.000) 4.856 16.299 ( -0.644 -5.243 0.000) 5.283 19.593 ( 0.104 -0.113 0.000) 0.153 19.597 ( 0.032 -0.039 0.000) 0.051 21.172 ( 17.467 0.270 0.000) 17.469 21.741 ( 11.995 -26.845 0.000) 29.403 22.203 ( 1.804 0.543 0.000) 1.884 22.407 ( 2.153 -2.752 0.000) 3.494 22.617 ( -4.903 3.428 0.000) 5.982 22.656 ( -4.109 -0.094 0.000) 4.110 23.790 ( -3.671 8.794 0.000) 9.530 23.835 ( -6.464 16.610 0.000) 17.824 24.239 ( -3.387 -2.660 0.000) 4.307 24.411 ( -7.485 2.301 0.000) 7.830 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 17.592 8.650 0.000) 19.603 1.828 ( -12.599 1.917 0.000) 12.744 1.900 ( 16.650 4.070 0.000) 17.140 2.189 ( -7.097 -3.781 0.000) 8.042 2.363 ( 9.051 4.076 0.000) 9.926 2.441 ( -0.713 0.808 0.000) 1.077 2.615 ( 9.727 8.439 0.000) 12.877 2.708 ( 5.407 2.625 0.000) 6.011 2.894 ( 6.915 -1.678 0.000) 7.115 3.069 ( -8.811 -4.564 0.000) 9.923 3.224 ( 11.864 6.254 0.000) 13.412 3.396 ( -2.498 -1.509 0.000) 2.918 3.486 ( 5.258 -0.030 0.000) 5.258 3.578 ( 2.203 -3.327 0.000) 3.990 3.636 ( -2.724 0.168 0.000) 2.729 3.768 ( -3.568 -5.578 0.000) 6.622 4.032 ( 12.552 -0.749 0.000) 12.574 4.113 ( 7.247 -0.935 0.000) 7.307 4.240 ( -5.431 -0.222 0.000) 5.435 4.248 ( -5.111 -3.320 0.000) 6.095 4.452 ( 8.675 -0.918 0.000) 8.724 4.589 ( 4.957 -2.396 0.000) 5.506 4.612 ( -4.750 -1.854 0.000) 5.099 4.797 ( -7.907 -7.296 0.000) 10.759 5.049 ( 2.383 -4.265 0.000) 4.885 5.130 ( -4.601 -0.344 0.000) 4.614 5.271 ( 2.124 2.126 0.000) 3.005 5.485 ( -4.907 1.428 0.000) 5.111 5.726 ( -3.444 1.264 0.000) 3.669 5.740 ( 0.848 -2.876 0.000) 2.999 5.824 ( 1.633 5.827 0.000) 6.051 5.974 ( -4.957 1.915 0.000) 5.314 6.179 ( 2.259 -1.050 0.000) 2.491 6.195 ( 0.695 -0.322 0.000) 0.766 6.351 ( 0.882 0.633 0.000) 1.086 6.379 ( -3.336 -0.743 0.000) 3.418 6.915 ( 1.206 2.734 0.000) 2.988 6.970 ( -3.816 3.786 0.000) 5.375 7.235 ( 0.712 -1.571 0.000) 1.725 7.273 ( -3.263 -0.245 0.000) 3.272 7.437 ( 3.120 -3.354 0.000) 4.581 7.519 ( -4.245 -4.042 0.000) 5.862 7.819 ( 0.061 3.483 0.000) 3.484 7.844 ( -2.428 4.338 0.000) 4.972 8.337 ( 1.144 -0.047 0.000) 1.145 8.348 ( 0.429 -0.032 0.000) 0.431 9.254 ( 4.676 0.648 0.000) 4.721 9.353 ( -4.979 -1.158 0.000) 5.112 9.477 ( 4.621 -0.399 0.000) 4.638 9.497 ( 3.011 -1.231 0.000) 3.253 9.721 ( -2.540 0.269 0.000) 2.554 9.744 ( -4.149 -0.162 0.000) 4.152 10.349 ( 7.015 0.952 0.000) 7.079 10.441 ( -1.594 2.573 0.000) 3.027 11.430 ( 4.956 0.692 0.000) 5.004 11.593 ( -9.963 -2.638 0.000) 10.307 13.203 ( 0.177 0.032 0.000) 0.180 13.204 ( 0.060 -0.002 0.000) 0.060 16.191 ( 3.991 -0.265 0.000) 4.000 16.261 ( -2.733 -2.170 0.000) 3.490 19.596 ( 0.123 -0.063 0.000) 0.138 19.598 ( -0.033 -0.054 0.000) 0.063 21.527 ( 15.810 -0.971 0.000) 15.839 21.775 ( -6.972 -8.142 0.000) 10.720 22.303 ( 6.982 -4.098 0.000) 8.096 22.427 ( -2.635 -3.674 0.000) 4.521 22.523 ( -1.407 1.822 0.000) 2.302 22.570 ( -3.944 -0.330 0.000) 3.958 23.739 ( -0.029 11.475 0.000) 11.475 23.769 ( -2.329 7.897 0.000) 8.234 24.213 ( 0.980 -2.688 0.000) 2.861 24.278 ( -5.090 -0.962 0.000) 5.180 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 19.308 0.000) 19.308 1.039 ( 0.000 19.736 0.000) 19.736 1.166 ( 0.000 -9.517 0.000) 9.517 1.536 ( 0.000 -23.191 0.000) 23.191 2.014 ( 0.000 43.595 0.000) 43.595 2.276 ( 0.000 7.924 0.000) 7.924 2.279 ( 0.000 -0.039 0.000) 0.039 2.492 ( 0.000 4.607 0.000) 4.607 2.573 ( 0.000 -5.900 0.000) 5.900 2.745 ( 0.000 -21.281 0.000) 21.281 2.927 ( 0.000 2.089 0.000) 2.089 2.928 ( 0.000 1.436 0.000) 1.436 3.229 ( 0.000 6.575 0.000) 6.575 3.366 ( 0.000 -6.742 0.000) 6.742 3.501 ( 0.000 7.288 0.000) 7.288 3.659 ( 0.000 -8.420 0.000) 8.420 3.768 ( 0.000 -2.912 0.000) 2.912 3.833 ( 0.000 -6.973 0.000) 6.973 3.981 ( 0.000 3.698 0.000) 3.698 4.170 ( 0.000 -11.380 0.000) 11.380 4.653 ( 0.000 4.523 0.000) 4.523 4.735 ( 0.000 -3.875 0.000) 3.875 4.779 ( 0.000 3.858 0.000) 3.858 4.916 ( 0.000 -8.949 0.000) 8.949 5.182 ( 0.000 7.189 0.000) 7.189 5.298 ( 0.000 -4.105 0.000) 4.105 5.470 ( 0.000 2.010 0.000) 2.010 5.492 ( 0.000 -0.316 0.000) 0.316 5.716 ( 0.000 0.961 0.000) 0.961 5.738 ( 0.000 -1.256 0.000) 1.256 5.977 ( 0.000 7.166 0.000) 7.166 6.097 ( 0.000 -5.524 0.000) 5.524 6.267 ( 0.000 3.659 0.000) 3.659 6.289 ( 0.000 3.343 0.000) 3.343 6.452 ( 0.000 3.673 0.000) 3.673 6.575 ( 0.000 -6.663 0.000) 6.663 6.819 ( 0.000 3.792 0.000) 3.792 6.879 ( 0.000 -2.615 0.000) 2.615 7.250 ( 0.000 -1.548 0.000) 1.548 7.260 ( 0.000 -1.424 0.000) 1.424 7.688 ( 0.000 1.230 0.000) 1.230 7.700 ( 0.000 -1.048 0.000) 1.048 7.801 ( 0.000 4.029 0.000) 4.029 7.888 ( 0.000 -2.859 0.000) 2.859 8.248 ( 0.000 0.562 0.000) 0.562 8.269 ( 0.000 -1.466 0.000) 1.466 9.116 ( 0.000 9.001 0.000) 9.001 9.193 ( 0.000 0.132 0.000) 0.132 9.197 ( 0.000 -0.436 0.000) 0.436 9.275 ( 0.000 -7.609 0.000) 7.609 9.900 ( 0.000 0.150 0.000) 0.150 9.906 ( 0.000 -0.468 0.000) 0.468 10.068 ( 0.000 8.328 0.000) 8.328 10.228 ( 0.000 -8.269 0.000) 8.269 12.029 ( 0.000 0.598 0.000) 0.598 12.037 ( 0.000 -0.242 0.000) 0.242 13.191 ( 0.000 0.114 0.000) 0.114 13.193 ( 0.000 -0.091 0.000) 0.091 16.017 ( 0.000 0.414 0.000) 0.414 16.025 ( 0.000 -0.436 0.000) 0.436 19.595 ( 0.000 0.137 0.000) 0.137 19.598 ( 0.000 -0.118 0.000) 0.118 20.617 ( 0.000 3.024 0.000) 3.024 20.678 ( 0.000 -3.242 0.000) 3.242 22.254 ( 0.000 2.916 0.000) 2.916 22.309 ( 0.000 -2.786 0.000) 2.786 22.730 ( 0.000 0.276 0.000) 0.276 22.734 ( 0.000 -0.133 0.000) 0.133 23.933 ( 0.000 6.227 0.000) 6.227 24.069 ( 0.000 -8.132 0.000) 8.132 24.743 ( 0.000 7.152 0.000) 7.152 24.860 ( 0.000 -5.208 0.000) 5.208 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 23.369 17.545 0.000) 29.222 1.233 ( 16.737 20.763 0.000) 26.669 1.471 ( 24.397 -14.613 0.000) 28.438 1.649 ( 10.280 -20.755 0.000) 23.161 2.033 ( 4.094 33.544 0.000) 33.793 2.296 ( -0.475 -2.706 0.000) 2.747 2.421 ( 7.146 7.194 0.000) 10.140 2.566 ( 12.647 9.548 0.000) 15.847 2.690 ( 9.667 -1.992 0.000) 9.870 2.741 ( 2.499 -16.280 0.000) 16.470 3.010 ( 4.941 2.836 0.000) 5.697 3.054 ( 8.550 -0.887 0.000) 8.596 3.281 ( 5.514 2.116 0.000) 5.906 3.385 ( 3.029 -4.956 0.000) 5.809 3.499 ( -3.165 -2.894 0.000) 4.289 3.560 ( -2.034 -7.033 0.000) 7.321 3.806 ( 3.603 3.818 0.000) 5.250 3.912 ( 4.630 -9.924 0.000) 10.951 4.047 ( 5.246 2.180 0.000) 5.681 4.168 ( -0.461 -7.525 0.000) 7.539 4.575 ( -5.510 2.982 0.000) 6.265 4.664 ( -5.292 -5.454 0.000) 7.600 4.793 ( -2.298 2.681 0.000) 3.531 4.874 ( -4.686 -4.783 0.000) 6.696 5.108 ( -4.268 10.436 0.000) 11.275 5.276 ( -3.375 -6.861 0.000) 7.646 5.378 ( -3.800 3.103 0.000) 4.906 5.428 ( -1.769 -1.963 0.000) 2.643 5.765 ( 3.681 4.625 0.000) 5.911 5.831 ( 5.460 -2.006 0.000) 5.817 5.979 ( 0.252 5.356 0.000) 5.361 6.085 ( -1.545 -5.142 0.000) 5.369 6.222 ( -5.008 4.538 0.000) 6.758 6.256 ( -2.572 1.045 0.000) 2.776 6.412 ( -4.166 3.757 0.000) 5.610 6.530 ( -4.392 -6.881 0.000) 8.163 6.894 ( 5.515 3.344 0.000) 6.450 6.958 ( 5.445 -2.598 0.000) 6.033 7.228 ( -0.483 3.370 0.000) 3.404 7.307 ( 1.765 -5.122 0.000) 5.417 7.599 ( -6.605 3.418 0.000) 7.437 7.664 ( -4.915 -3.811 0.000) 6.219 7.832 ( 2.663 4.709 0.000) 5.410 7.924 ( 2.537 -3.498 0.000) 4.321 8.264 ( 1.540 0.338 0.000) 1.576 8.283 ( 1.004 -1.348 0.000) 1.681 9.119 ( 1.968 3.826 0.000) 4.302 9.179 ( 1.974 -2.395 0.000) 3.103 9.298 ( 6.564 2.834 0.000) 7.150 9.385 ( 5.939 -6.238 0.000) 8.613 9.869 ( -2.700 0.193 0.000) 2.707 9.877 ( -2.387 -0.611 0.000) 2.464 10.093 ( 3.111 8.083 0.000) 8.661 10.252 ( 2.643 -8.322 0.000) 8.731 11.862 ( -13.378 6.578 0.000) 14.907 11.938 ( -8.245 -2.247 0.000) 8.545 13.194 ( 0.230 0.100 0.000) 0.251 13.195 ( 0.210 -0.074 0.000) 0.222 16.048 ( 3.646 2.735 0.000) 4.557 16.117 ( 5.494 -5.014 0.000) 7.438 19.593 ( -0.091 0.144 0.000) 0.171 19.596 ( -0.099 -0.162 0.000) 0.190 20.844 ( 14.743 0.119 0.000) 14.743 20.898 ( 22.532 -7.318 0.000) 23.691 22.254 ( -0.014 3.364 0.000) 3.364 22.317 ( 0.774 -3.238 0.000) 3.329 22.711 ( -1.923 0.516 0.000) 1.991 22.718 ( -1.805 -0.295 0.000) 1.829 23.921 ( -1.032 6.016 0.000) 6.104 24.046 ( -2.095 -6.930 0.000) 7.240 24.608 ( -13.762 6.506 0.000) 15.223 24.660 ( -13.309 1.058 0.000) 13.351 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 10.350 18.702 0.000) 21.374 1.637 ( 19.063 14.492 0.000) 23.946 1.840 ( 7.853 -17.235 0.000) 18.940 1.939 ( 11.830 -16.037 0.000) 19.928 2.247 ( 14.211 12.169 0.000) 18.709 2.327 ( 10.150 0.055 0.000) 10.150 2.520 ( 5.227 13.266 0.000) 14.259 2.717 ( -0.092 -0.383 0.000) 0.394 2.939 ( 8.314 6.452 0.000) 10.524 2.999 ( 16.648 4.404 0.000) 17.221 3.123 ( -0.242 -3.230 0.000) 3.239 3.159 ( 13.798 -3.170 0.000) 14.158 3.337 ( -2.355 -2.800 0.000) 3.659 3.432 ( 0.537 -9.426 0.000) 9.441 3.561 ( 11.704 -0.434 0.000) 11.712 3.634 ( 5.080 -9.951 0.000) 11.173 3.903 ( 5.456 7.868 0.000) 9.574 4.000 ( 3.301 -2.800 0.000) 4.328 4.154 ( 6.172 -2.748 0.000) 6.756 4.180 ( 2.264 -5.343 0.000) 5.803 4.460 ( -5.192 3.488 0.000) 6.255 4.557 ( -4.445 -5.987 0.000) 7.456 4.669 ( -6.458 5.283 0.000) 8.344 4.772 ( -4.801 -5.140 0.000) 7.033 5.014 ( -4.166 3.814 0.000) 5.649 5.119 ( -8.205 -6.445 0.000) 10.434 5.446 ( 7.010 4.186 0.000) 8.165 5.517 ( 8.334 -3.058 0.000) 8.877 5.715 ( -10.632 9.033 0.000) 13.951 5.865 ( -7.095 -6.272 0.000) 9.470 5.990 ( 0.879 4.422 0.000) 4.508 6.066 ( 2.987 -2.180 0.000) 3.698 6.099 ( -5.516 4.863 0.000) 7.354 6.183 ( -2.956 -2.103 0.000) 3.628 6.355 ( -0.750 2.105 0.000) 2.234 6.423 ( -4.988 -4.978 0.000) 7.047 6.969 ( 1.845 4.654 0.000) 5.006 7.050 ( 2.582 -3.003 0.000) 3.960 7.213 ( -1.180 4.625 0.000) 4.773 7.306 ( -2.052 -4.403 0.000) 4.858 7.465 ( -5.061 3.436 0.000) 6.117 7.539 ( -5.733 -4.360 0.000) 7.203 7.877 ( 0.830 3.980 0.000) 4.066 7.938 ( -1.529 -1.442 0.000) 2.102 8.306 ( 1.510 -0.429 0.000) 1.569 8.307 ( 2.244 -0.590 0.000) 2.320 9.196 ( 4.756 3.345 0.000) 5.815 9.271 ( 5.353 -4.396 0.000) 6.926 9.406 ( 3.680 1.456 0.000) 3.958 9.442 ( 0.254 -2.291 0.000) 2.305 9.802 ( -3.615 0.595 0.000) 3.663 9.818 ( -3.486 -1.003 0.000) 3.627 10.218 ( 8.685 5.889 0.000) 10.493 10.347 ( 6.227 -6.671 0.000) 9.125 11.601 ( -10.617 8.767 0.000) 13.769 11.732 ( -10.847 -5.288 0.000) 12.067 13.199 ( 0.276 0.076 0.000) 0.286 13.200 ( 0.247 -0.051 0.000) 0.253 16.131 ( 3.786 2.576 0.000) 4.579 16.199 ( 2.282 -4.756 0.000) 5.276 19.593 ( 0.095 0.073 0.000) 0.120 19.595 ( 0.045 -0.148 0.000) 0.154 21.204 ( 18.320 3.935 0.000) 18.737 21.357 ( 19.169 -13.541 0.000) 23.469 22.256 ( 0.446 4.108 0.000) 4.132 22.338 ( 1.110 -4.310 0.000) 4.450 22.646 ( -4.514 0.609 0.000) 4.555 22.653 ( -4.343 -0.275 0.000) 4.352 23.899 ( -0.855 5.930 0.000) 5.991 23.993 ( -2.800 -2.400 0.000) 3.688 24.307 ( -11.540 8.360 0.000) 14.250 24.414 ( -10.899 -2.499 0.000) 11.182 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 6.804 9.120 0.000) 11.378 1.796 ( -6.870 -5.784 0.000) 8.980 1.984 ( 12.070 5.057 0.000) 13.086 2.087 ( 2.461 -5.894 0.000) 6.388 2.480 ( 6.055 5.829 0.000) 8.405 2.545 ( 4.395 6.384 0.000) 7.751 2.643 ( 5.028 -1.653 0.000) 5.292 2.757 ( 2.029 -1.164 0.000) 2.339 3.000 ( 2.506 8.029 0.000) 8.411 3.025 ( -0.966 5.506 0.000) 5.590 3.253 ( 2.478 -2.895 0.000) 3.810 3.365 ( -3.804 -7.266 0.000) 8.201 3.440 ( 9.907 -1.296 0.000) 9.991 3.489 ( 11.151 -3.772 0.000) 11.772 3.653 ( -2.840 1.784 0.000) 3.354 3.689 ( -0.971 -2.198 0.000) 2.402 4.030 ( 6.836 1.027 0.000) 6.913 4.081 ( 4.993 -3.633 0.000) 6.175 4.182 ( -4.721 -0.505 0.000) 4.748 4.212 ( -4.241 -2.606 0.000) 4.978 4.477 ( 8.442 3.026 0.000) 8.968 4.537 ( 3.904 -3.084 0.000) 4.975 4.604 ( -1.778 1.760 0.000) 2.501 4.674 ( -5.199 -5.342 0.000) 7.454 5.008 ( 4.544 0.577 0.000) 4.581 5.070 ( 6.036 -4.981 0.000) 7.826 5.356 ( -15.141 6.636 0.000) 16.531 5.470 ( -14.974 -4.074 0.000) 15.518 5.691 ( 3.917 -1.037 0.000) 4.052 5.705 ( 2.831 -1.851 0.000) 3.382 5.975 ( -0.916 7.620 0.000) 7.675 6.029 ( -3.860 2.394 0.000) 4.542 6.148 ( 3.370 -1.709 0.000) 3.779 6.168 ( 0.969 -2.632 0.000) 2.804 6.348 ( -0.402 -0.441 0.000) 0.597 6.356 ( -1.448 -1.254 0.000) 1.916 6.996 ( 1.433 5.056 0.000) 5.255 7.042 ( -2.601 1.767 0.000) 3.144 7.206 ( 0.925 -0.235 0.000) 0.954 7.245 ( -2.875 -2.792 0.000) 4.007 7.417 ( 0.250 1.000 0.000) 1.031 7.454 ( -2.869 -2.735 0.000) 3.964 7.870 ( -0.491 1.899 0.000) 1.961 7.888 ( -2.275 0.337 0.000) 2.299 8.338 ( 1.308 0.211 0.000) 1.325 8.344 ( 0.894 -0.331 0.000) 0.953 9.277 ( 2.768 1.850 0.000) 3.330 9.319 ( -1.061 -2.306 0.000) 2.538 9.471 ( 3.236 -0.078 0.000) 3.237 9.477 ( 2.637 -0.713 0.000) 2.732 9.729 ( -2.755 0.527 0.000) 2.805 9.738 ( -3.492 -0.429 0.000) 3.518 10.398 ( 7.105 3.648 0.000) 7.987 10.453 ( 2.227 -1.511 0.000) 2.691 11.462 ( -2.008 2.826 0.000) 3.466 11.529 ( -7.747 -3.937 0.000) 8.690 13.204 ( 0.137 0.034 0.000) 0.141 13.204 ( 0.095 -0.014 0.000) 0.096 16.192 ( 2.144 0.610 0.000) 2.228 16.218 ( -0.274 -2.055 0.000) 2.073 19.595 ( 0.099 0.013 0.000) 0.099 19.596 ( 0.011 -0.078 0.000) 0.078 21.529 ( 11.571 1.835 0.000) 11.716 21.614 ( 4.452 -7.374 0.000) 8.614 22.287 ( 2.972 1.801 0.000) 3.475 22.347 ( -1.115 -4.177 0.000) 4.323 22.547 ( -3.333 0.916 0.000) 3.457 22.561 ( -3.824 -0.638 0.000) 3.877 23.898 ( 0.931 6.579 0.000) 6.644 23.937 ( -2.564 4.699 0.000) 5.353 24.176 ( -1.251 0.310 0.000) 1.288 24.233 ( -6.220 -3.741 0.000) 7.258 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 0.000 28.462) 28.462 0.693 ( 0.000 0.000 31.946) 31.946 1.001 ( 0.000 0.000 46.864) 46.864 1.784 ( 0.000 0.000 13.688) 13.688 1.908 ( 0.000 0.000 1.268) 1.268 2.190 ( 0.000 0.000 10.443) 10.443 2.241 ( 0.000 0.000 -5.001) 5.001 2.508 ( 0.000 0.000 2.178) 2.178 2.640 ( 0.000 0.000 -0.841) 0.841 2.714 ( 0.000 0.000 0.562) 0.562 2.895 ( 0.000 0.000 2.182) 2.182 2.961 ( 0.000 0.000 0.969) 0.969 3.205 ( 0.000 0.000 0.585) 0.585 3.388 ( 0.000 0.000 -0.506) 0.506 3.559 ( 0.000 0.000 -2.896) 2.896 3.871 ( 0.000 0.000 -0.496) 0.496 3.880 ( 0.000 0.000 -4.833) 4.833 3.963 ( 0.000 0.000 -7.473) 7.473 4.435 ( 0.000 0.000 -6.482) 6.482 4.458 ( 0.000 0.000 -2.364) 2.364 4.518 ( 0.000 0.000 -10.097) 10.097 4.570 ( 0.000 0.000 -2.610) 2.610 4.622 ( 0.000 0.000 -4.432) 4.432 4.799 ( 0.000 0.000 0.617) 0.617 5.040 ( 0.000 0.000 2.034) 2.034 5.244 ( 0.000 0.000 -3.856) 3.856 5.364 ( 0.000 0.000 3.334) 3.334 5.546 ( 0.000 0.000 -6.372) 6.372 5.661 ( 0.000 0.000 5.771) 5.771 5.712 ( 0.000 0.000 -1.504) 1.504 5.733 ( 0.000 0.000 -7.548) 7.548 6.128 ( 0.000 0.000 -1.158) 1.158 6.165 ( 0.000 0.000 -3.322) 3.322 6.246 ( 0.000 0.000 11.295) 11.295 6.426 ( 0.000 0.000 -2.904) 2.904 6.697 ( 0.000 0.000 1.323) 1.323 6.709 ( 0.000 0.000 0.511) 0.511 6.932 ( 0.000 0.000 0.249) 0.249 7.043 ( 0.000 0.000 1.624) 1.624 7.221 ( 0.000 0.000 -3.914) 3.914 7.524 ( 0.000 0.000 -3.950) 3.950 7.724 ( 0.000 0.000 -1.772) 1.772 7.811 ( 0.000 0.000 -3.456) 3.456 7.862 ( 0.000 0.000 -2.287) 2.287 8.443 ( 0.000 0.000 11.192) 11.192 8.893 ( 0.000 0.000 0.813) 0.813 9.039 ( 0.000 0.000 8.621) 8.621 9.156 ( 0.000 0.000 1.584) 1.584 9.335 ( 0.000 0.000 11.739) 11.739 9.790 ( 0.000 0.000 2.828) 2.828 9.853 ( 0.000 0.000 -4.010) 4.010 9.897 ( 0.000 0.000 -2.051) 2.051 10.392 ( 0.000 0.000 -1.479) 1.479 10.662 ( 0.000 0.000 -3.875) 3.875 11.211 ( 0.000 0.000 -2.767) 2.767 11.975 ( 0.000 0.000 -3.443) 3.443 13.386 ( 0.000 0.000 18.163) 18.163 14.610 ( 0.000 0.000 6.425) 6.425 15.934 ( 0.000 0.000 -1.708) 1.708 15.999 ( 0.000 0.000 -0.948) 0.948 19.677 ( 0.000 0.000 6.998) 6.998 20.555 ( 0.000 0.000 0.117) 0.117 20.738 ( 0.000 0.000 -1.207) 1.207 21.152 ( 0.000 0.000 -2.252) 2.252 22.236 ( 0.000 0.000 0.428) 0.428 22.342 ( 0.000 0.000 -1.200) 1.200 22.360 ( 0.000 0.000 -0.868) 0.868 22.711 ( 0.000 0.000 -2.126) 2.126 23.443 ( 0.000 0.000 1.502) 1.502 23.860 ( 0.000 0.000 -0.894) 0.894 24.299 ( 0.000 0.000 -5.167) 5.167 24.428 ( 0.000 0.000 -4.483) 4.483 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 13.133 0.000 17.429) 21.823 0.738 ( 12.276 0.000 22.156) 25.330 1.412 ( 27.394 0.000 32.658) 42.626 2.023 ( 19.468 0.000 5.627) 20.265 2.049 ( 13.606 0.000 0.616) 13.620 2.289 ( 9.023 0.000 10.252) 13.657 2.360 ( 4.574 0.000 -6.970) 8.336 2.498 ( -0.238 0.000 2.119) 2.132 2.638 ( -0.239 0.000 -0.263) 0.355 2.704 ( -0.682 0.000 0.667) 0.954 3.044 ( 8.617 0.000 0.785) 8.653 3.135 ( 13.749 0.000 3.920) 14.297 3.269 ( 7.752 0.000 -4.633) 9.031 3.482 ( 7.687 0.000 -1.272) 7.792 3.583 ( 1.868 0.000 -2.110) 2.818 3.725 ( -7.382 0.000 -2.934) 7.944 3.828 ( -7.247 0.000 -2.824) 7.778 4.012 ( 6.168 0.000 -2.066) 6.505 4.316 ( -10.232 0.000 -5.276) 11.513 4.447 ( -4.333 0.000 -5.074) 6.672 4.506 ( 3.751 0.000 -7.569) 8.448 4.573 ( -2.065 0.000 -5.402) 5.784 4.713 ( 6.057 0.000 -3.661) 7.077 4.790 ( -1.567 0.000 1.887) 2.453 5.054 ( 2.236 0.000 3.393) 4.063 5.274 ( -3.960 0.000 -0.665) 4.015 5.315 ( 3.113 0.000 -2.053) 3.729 5.409 ( -7.398 0.000 -7.144) 10.284 5.593 ( -4.924 0.000 5.287) 7.225 5.770 ( 4.562 0.000 -1.009) 4.672 5.863 ( 7.234 0.000 -4.707) 8.630 6.080 ( -4.802 0.000 0.446) 4.823 6.152 ( -1.235 0.000 -3.401) 3.619 6.269 ( 2.807 0.000 9.092) 9.515 6.349 ( -6.642 0.000 -2.418) 7.069 6.681 ( -3.426 0.000 0.609) 3.480 6.800 ( 3.509 0.000 -7.326) 8.123 6.982 ( -3.660 0.000 -1.473) 3.945 7.048 ( 9.220 0.000 -4.859) 10.422 7.270 ( 3.049 0.000 -2.704) 4.076 7.518 ( -1.601 0.000 -3.194) 3.573 7.697 ( -1.419 0.000 -1.806) 2.297 7.801 ( -1.977 0.000 -1.597) 2.541 7.803 ( -4.433 0.000 -0.945) 4.533 8.461 ( 1.485 0.000 11.725) 11.819 8.739 ( -8.988 0.000 14.633) 17.173 9.096 ( 3.443 0.000 -1.605) 3.799 9.108 ( -2.008 0.000 0.909) 2.204 9.425 ( 6.305 0.000 10.878) 12.573 9.803 ( -1.352 0.000 3.255) 3.525 9.826 ( -2.527 0.000 -3.779) 4.546 9.892 ( -0.572 0.000 -1.075) 1.217 10.376 ( -1.121 0.000 -1.782) 2.105 10.393 ( -13.941 0.000 10.053) 17.188 11.224 ( 1.306 0.000 -2.916) 3.195 11.929 ( -4.572 0.000 -3.501) 5.759 13.390 ( 0.359 0.000 18.229) 18.233 13.875 ( -30.490 0.000 38.471) 49.088 15.973 ( 3.534 0.000 -1.998) 4.060 16.249 ( 7.245 0.000 -9.837) 12.217 19.670 ( -0.470 0.000 6.656) 6.673 19.921 ( -18.151 0.000 19.721) 26.803 20.854 ( 10.737 0.000 -1.518) 10.844 21.860 ( 18.167 0.000 -25.050) 30.945 22.266 ( 3.436 0.000 -2.134) 4.045 22.338 ( 0.098 0.000 -1.776) 1.778 22.388 ( 2.214 0.000 -0.350) 2.242 22.704 ( -1.022 0.000 -1.929) 2.182 23.462 ( 1.808 0.000 1.337) 2.249 23.820 ( -2.608 0.000 0.490) 2.654 24.294 ( -1.894 0.000 -6.918) 7.173 24.398 ( -2.793 0.000 -4.291) 5.120 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 18.056 0.000 13.168) 22.348 1.131 ( 27.948 0.000 -5.717) 28.527 1.950 ( 22.212 0.000 19.093) 29.291 2.250 ( -6.697 0.000 -3.857) 7.728 2.314 ( 2.454 0.000 1.262) 2.760 2.412 ( 10.642 0.000 1.324) 10.724 2.456 ( 2.863 0.000 -3.375) 4.426 2.558 ( 6.168 0.000 1.254) 6.294 2.733 ( 14.392 0.000 4.967) 15.225 2.772 ( 10.221 0.000 3.470) 10.794 3.246 ( 9.362 0.000 -1.137) 9.431 3.313 ( 3.158 0.000 5.012) 5.924 3.503 ( 4.112 0.000 1.332) 4.322 3.551 ( -6.598 0.000 -1.605) 6.790 3.634 ( 16.647 0.000 0.371) 16.651 3.648 ( 1.250 0.000 -1.564) 2.002 3.865 ( 10.073 0.000 -8.093) 12.922 4.010 ( -10.877 0.000 -3.702) 11.489 4.205 ( 4.598 0.000 1.993) 5.011 4.338 ( -6.118 0.000 -4.255) 7.452 4.477 ( -6.735 0.000 -4.003) 7.835 4.579 ( 1.347 0.000 -11.332) 11.412 4.736 ( -2.601 0.000 5.208) 5.822 4.779 ( 1.585 0.000 -4.466) 4.739 5.141 ( 5.522 0.000 2.755) 6.171 5.158 ( -5.002 0.000 -3.695) 6.219 5.295 ( -6.511 0.000 -1.597) 6.704 5.427 ( 4.833 0.000 -2.557) 5.467 5.545 ( 3.987 0.000 2.211) 4.558 5.854 ( 1.971 0.000 -2.001) 2.809 5.887 ( -7.298 0.000 5.265) 8.999 6.041 ( 4.444 0.000 -6.747) 8.079 6.106 ( -4.763 0.000 -2.360) 5.315 6.194 ( -5.794 0.000 -2.329) 6.245 6.345 ( 3.584 0.000 6.780) 7.669 6.540 ( -8.742 0.000 1.549) 8.878 6.839 ( 0.979 0.000 -5.106) 5.199 6.927 ( -1.990 0.000 -4.702) 5.106 7.201 ( 5.193 0.000 -5.688) 7.702 7.310 ( 0.285 0.000 -1.068) 1.105 7.441 ( -4.439 0.000 -1.095) 4.572 7.649 ( -4.420 0.000 -0.835) 4.498 7.732 ( -2.369 0.000 -2.721) 3.608 7.742 ( -2.649 0.000 -2.162) 3.419 8.491 ( 1.278 0.000 12.696) 12.760 8.610 ( -3.812 0.000 15.883) 16.334 9.123 ( 3.350 0.000 -1.537) 3.686 9.175 ( 4.141 0.000 -7.279) 8.375 9.540 ( 4.194 0.000 10.072) 10.910 9.702 ( -6.880 0.000 8.438) 10.887 9.757 ( -3.652 0.000 -3.462) 5.032 9.848 ( -3.444 0.000 0.936) 3.569 10.296 ( 1.925 0.000 2.867) 3.453 10.367 ( 0.521 0.000 -1.844) 1.916 11.273 ( 3.717 0.000 -3.245) 4.934 11.788 ( -8.847 0.000 -3.399) 9.477 13.400 ( 0.657 0.000 18.531) 18.543 13.534 ( -7.591 0.000 27.290) 28.326 16.063 ( 4.815 0.000 -2.633) 5.488 16.291 ( -1.156 0.000 -5.640) 5.757 19.663 ( -0.190 0.000 6.163) 6.166 19.731 ( -4.172 0.000 11.089) 11.848 21.145 ( 16.519 0.000 -2.651) 16.730 21.950 ( -3.851 0.000 -11.158) 11.804 22.343 ( 2.671 0.000 -5.332) 5.963 22.348 ( 0.728 0.000 -2.442) 2.549 22.443 ( 3.037 0.000 0.159) 3.041 22.661 ( -3.073 0.000 -0.641) 3.139 23.517 ( 3.415 0.000 0.886) 3.528 23.764 ( -2.973 0.000 0.056) 2.974 24.232 ( -3.092 0.000 -5.306) 6.142 24.323 ( -4.174 0.000 -3.877) 5.696 ======================= Grid point 38 (16/72) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 18.586 0.000 6.189) 19.589 1.628 ( 13.676 0.000 -7.486) 15.591 1.979 ( -7.163 0.000 4.181) 8.294 2.176 ( -13.586 0.000 -4.175) 14.213 2.304 ( 8.395 0.000 -0.978) 8.452 2.409 ( -3.501 0.000 -1.965) 4.015 2.649 ( 11.072 0.000 9.430) 14.544 2.739 ( 5.335 0.000 7.755) 9.412 2.982 ( 7.154 0.000 -2.159) 7.473 3.062 ( 9.564 0.000 2.077) 9.787 3.209 ( -0.555 0.000 2.633) 2.691 3.406 ( -8.391 0.000 0.160) 8.393 3.489 ( 5.840 0.000 0.373) 5.852 3.614 ( -6.580 0.000 -0.984) 6.653 3.617 ( 10.963 0.000 -0.558) 10.977 3.807 ( -6.622 0.000 -1.468) 6.783 3.988 ( 13.277 0.000 -5.945) 14.547 4.093 ( 10.346 0.000 -2.229) 10.583 4.177 ( -6.900 0.000 -4.731) 8.366 4.268 ( -5.615 0.000 -1.171) 5.736 4.377 ( 0.921 0.000 -4.457) 4.552 4.484 ( -7.918 0.000 -10.472) 13.129 4.775 ( 8.486 0.000 9.768) 12.939 4.902 ( 7.529 0.000 -2.380) 7.896 5.060 ( -12.316 0.000 1.227) 12.377 5.067 ( -4.600 0.000 -5.958) 7.527 5.308 ( 9.166 0.000 3.278) 9.735 5.462 ( -2.583 0.000 -0.942) 2.749 5.674 ( 1.360 0.000 0.710) 1.534 5.758 ( -9.166 0.000 -2.388) 9.472 5.811 ( 6.159 0.000 2.608) 6.688 5.975 ( -6.454 0.000 0.700) 6.492 6.134 ( 3.654 0.000 -6.279) 7.265 6.171 ( 0.377 0.000 -4.689) 4.704 6.384 ( 0.010 0.000 5.622) 5.622 6.396 ( -3.541 0.000 3.988) 5.333 6.860 ( 1.305 0.000 -3.058) 3.325 6.891 ( -1.618 0.000 -3.750) 4.084 7.249 ( 0.120 0.000 -0.292) 0.316 7.277 ( -2.620 0.000 0.318) 2.640 7.428 ( 3.930 0.000 -4.454) 5.940 7.539 ( -5.637 0.000 -2.415) 6.132 7.694 ( -1.170 0.000 -3.557) 3.745 7.696 ( -1.509 0.000 -3.856) 4.141 8.520 ( 1.628 0.000 12.925) 13.028 8.556 ( -1.922 0.000 13.788) 13.921 9.213 ( 4.172 0.000 -3.337) 5.342 9.245 ( 1.620 0.000 -7.502) 7.675 9.577 ( -0.537 0.000 5.524) 5.550 9.588 ( -3.145 0.000 7.094) 7.760 9.716 ( 0.667 0.000 0.302) 0.733 9.770 ( -3.733 0.000 1.919) 4.197 10.358 ( 2.719 0.000 -0.344) 2.741 10.383 ( 0.299 0.000 -1.171) 1.209 11.390 ( 7.804 0.000 -3.429) 8.524 11.584 ( -10.393 0.000 -3.394) 10.933 13.417 ( 0.976 0.000 19.321) 19.345 13.446 ( -2.197 0.000 21.388) 21.500 16.160 ( 4.398 0.000 -3.273) 5.482 16.240 ( -3.366 0.000 -3.991) 5.221 19.664 ( 0.386 0.000 6.215) 6.227 19.681 ( -1.315 0.000 7.412) 7.528 21.493 ( 16.347 0.000 -4.537) 16.965 21.786 ( -11.500 0.000 -6.924) 13.424 22.363 ( 0.673 0.000 -3.112) 3.184 22.369 ( 0.249 0.000 -4.085) 4.093 22.511 ( 3.517 0.000 0.472) 3.548 22.587 ( -3.810 0.000 0.354) 3.826 23.599 ( 4.424 0.000 0.303) 4.434 23.690 ( -4.204 0.000 -0.103) 4.205 24.200 ( 0.298 0.000 -3.948) 3.959 24.241 ( -3.380 0.000 -3.608) 4.944 ======================= Grid point 42 (17/72) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 9.864 26.755) 28.516 0.797 ( 0.000 10.142 26.552) 28.424 1.364 ( 0.000 38.701 26.594) 46.957 1.588 ( 0.000 -11.669 11.655) 16.493 1.964 ( 0.000 -18.180 3.458) 18.506 2.098 ( 0.000 11.670 2.979) 12.044 2.274 ( 0.000 0.220 1.083) 1.105 2.497 ( 0.000 -0.484 2.579) 2.624 2.611 ( 0.000 -0.232 -0.410) 0.471 2.847 ( 0.000 7.510 1.109) 7.591 2.919 ( 0.000 2.130 2.651) 3.401 2.954 ( 0.000 -1.156 0.755) 1.380 3.202 ( 0.000 0.431 2.058) 2.102 3.391 ( 0.000 1.341 -1.245) 1.830 3.637 ( 0.000 6.845 -2.493) 7.285 3.681 ( 0.000 -14.695 6.327) 16.000 3.849 ( 0.000 -4.213 -2.007) 4.667 3.859 ( 0.000 -1.394 -0.055) 1.396 4.246 ( 0.000 -18.824 -1.923) 18.922 4.373 ( 0.000 -8.279 -1.224) 8.369 4.490 ( 0.000 -3.263 -8.334) 8.950 4.571 ( 0.000 -1.093 -14.773) 14.814 4.766 ( 0.000 -1.557 -1.058) 1.882 4.793 ( 0.000 9.140 -9.358) 13.081 5.035 ( 0.000 0.117 -1.955) 1.958 5.272 ( 0.000 1.420 -4.026) 4.269 5.415 ( 0.000 3.721 1.319) 3.948 5.516 ( 0.000 -2.951 -2.288) 3.734 5.656 ( 0.000 2.127 -3.022) 3.695 5.730 ( 0.000 -0.224 -5.511) 5.516 5.825 ( 0.000 8.185 2.571) 8.579 6.128 ( 0.000 -0.010 -3.754) 3.754 6.221 ( 0.000 3.475 -0.224) 3.482 6.262 ( 0.000 1.264 5.001) 5.158 6.467 ( 0.000 3.970 3.038) 4.999 6.698 ( 0.000 -0.488 2.687) 2.731 6.734 ( 0.000 2.645 -0.689) 2.733 6.902 ( 0.000 -2.046 -0.267) 2.063 7.090 ( 0.000 2.853 -3.912) 4.841 7.206 ( 0.000 -1.553 -4.973) 5.210 7.570 ( 0.000 4.158 -3.745) 5.596 7.707 ( 0.000 -2.071 -2.007) 2.884 7.779 ( 0.000 -2.566 -2.702) 3.727 7.822 ( 0.000 -2.708 -2.301) 3.554 8.454 ( 0.000 1.456 12.706) 12.789 8.897 ( 0.000 -12.971 19.361) 23.304 8.943 ( 0.000 4.730 -0.337) 4.742 9.144 ( 0.000 -1.409 0.139) 1.416 9.352 ( 0.000 1.922 12.384) 12.532 9.729 ( 0.000 -8.427 7.799) 11.482 9.860 ( 0.000 0.904 -2.639) 2.789 9.893 ( 0.000 -0.413 -2.045) 2.087 10.164 ( 0.000 -17.460 16.046) 23.714 10.346 ( 0.000 -4.689 -1.050) 4.805 11.619 ( 0.000 19.171 -17.894) 26.225 11.969 ( 0.000 -0.754 -4.386) 4.451 13.400 ( 0.000 1.648 19.148) 19.219 14.041 ( 0.000 -34.680 37.016) 50.724 15.980 ( 0.000 2.023 -3.430) 3.982 16.000 ( 0.000 0.068 -1.092) 1.094 19.686 ( 0.000 1.045 7.816) 7.886 20.210 ( 0.000 -37.745 33.680) 50.587 20.571 ( 0.000 1.670 0.016) 1.670 20.719 ( 0.000 -1.991 -0.992) 2.225 22.205 ( 0.000 1.521 -0.101) 1.524 22.343 ( 0.000 -1.695 -0.848) 1.896 22.651 ( 0.000 5.204 -6.260) 8.140 22.711 ( 0.000 -0.023 -2.185) 2.186 23.807 ( 0.000 6.215 -3.659) 7.212 24.190 ( 0.000 -8.013 -3.671) 8.814 24.263 ( 0.000 33.239 -31.090) 45.513 24.521 ( 0.000 6.182 -6.835) 9.216 ======================= Grid point 43 (18/72) ======================= q-point: ( 0.14 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 14.861 14.465 9.346) 22.747 1.056 ( 10.382 20.239 17.098) 28.456 1.612 ( 21.229 23.720 25.253) 40.633 1.815 ( 19.167 -13.140 5.430) 23.864 1.996 ( 6.075 -14.644 -0.334) 15.858 2.270 ( 8.428 2.847 1.569) 9.033 2.408 ( 8.983 3.522 4.153) 10.505 2.500 ( 3.900 0.331 3.178) 5.041 2.653 ( 1.978 3.811 -1.004) 4.410 2.829 ( -0.483 7.632 1.548) 7.803 3.009 ( 6.872 -3.430 0.538) 7.699 3.134 ( 14.538 -0.036 4.411) 15.192 3.261 ( 6.799 -0.401 -1.975) 7.091 3.475 ( 5.991 -0.523 -1.630) 6.231 3.626 ( -1.473 -4.608 0.556) 4.870 3.671 ( -4.392 -3.727 0.918) 5.833 3.692 ( -0.931 -0.561 -1.402) 1.774 4.017 ( 6.816 -0.735 -1.975) 7.135 4.242 ( -5.119 -11.480 -2.782) 12.873 4.309 ( -0.234 -10.619 -0.740) 10.647 4.481 ( -2.004 -4.177 -7.494) 8.811 4.549 ( -2.054 -1.735 -12.051) 12.347 4.711 ( -4.174 -0.545 -3.530) 5.494 4.822 ( 1.431 4.409 -2.821) 5.426 5.011 ( -0.510 -1.951 0.820) 2.177 5.298 ( -0.305 -1.249 -4.283) 4.472 5.340 ( -4.074 3.331 1.133) 5.383 5.427 ( -3.008 0.681 -4.150) 5.170 5.645 ( -2.100 5.193 -0.036) 5.602 5.827 ( 2.547 4.808 -1.729) 5.709 5.854 ( 6.510 -0.416 -2.181) 6.878 6.093 ( -3.344 0.300 -3.712) 5.005 6.187 ( -3.068 3.064 0.722) 4.396 6.263 ( 0.289 0.210 4.495) 4.509 6.396 ( -5.819 3.878 2.557) 7.445 6.662 ( -4.709 -2.303 1.706) 5.512 6.806 ( 4.136 1.285 -4.747) 6.426 6.980 ( 4.387 -0.887 -0.847) 4.555 7.075 ( 1.094 2.772 -5.328) 6.104 7.247 ( 2.685 -2.018 -5.278) 6.256 7.557 ( -2.524 3.294 -2.228) 4.710 7.691 ( -1.199 -0.904 -2.206) 2.669 7.762 ( -1.286 -2.306 -2.395) 3.565 7.787 ( -2.943 -2.017 -2.149) 4.165 8.474 ( 1.551 1.471 13.069) 13.243 8.734 ( -8.048 -2.056 18.106) 19.920 9.030 ( 3.383 -3.358 -0.494) 4.792 9.131 ( 0.038 0.313 -2.023) 2.047 9.428 ( 6.053 0.783 12.211) 13.651 9.777 ( 0.146 -4.404 6.861) 8.154 9.830 ( -2.631 0.543 -3.047) 4.063 9.891 ( -0.245 -0.863 -0.470) 1.013 10.106 ( -1.448 -11.212 10.626) 15.515 10.366 ( 1.321 -4.782 -1.304) 5.130 11.491 ( -8.605 17.485 -9.608) 21.728 11.916 ( -5.182 -1.517 -4.206) 6.844 13.401 ( 0.091 1.274 19.032) 19.075 13.731 ( -16.972 -11.594 35.594) 41.102 15.988 ( 3.127 1.467 -1.998) 3.990 16.177 ( 7.347 -5.658 -5.810) 10.943 19.677 ( -0.703 0.687 7.302) 7.367 19.860 ( -11.927 -5.491 18.607) 22.773 20.844 ( 11.434 -0.951 -1.393) 11.558 21.218 ( 31.944 -31.248 -2.705) 44.768 22.202 ( -0.229 1.539 0.193) 1.568 22.358 ( 1.375 -1.902 -0.907) 2.516 22.623 ( -2.530 5.346 -5.647) 8.178 22.703 ( -1.046 -0.038 -1.988) 2.247 23.790 ( -1.744 7.863 -4.156) 9.063 24.010 ( -12.117 20.220 -8.133) 24.936 24.228 ( -2.349 0.377 -8.951) 9.261 24.475 ( -4.648 4.737 -6.866) 9.549 ======================= Grid point 44 (19/72) ======================= q-point: ( 0.29 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 22.863 11.232 -1.304) 25.506 1.289 ( 15.830 18.737 7.151) 25.550 2.065 ( 15.757 6.383 8.650) 19.074 2.089 ( 6.603 -7.759 0.663) 10.210 2.254 ( 0.681 -8.998 2.635) 9.401 2.332 ( 16.420 -4.801 2.317) 17.263 2.474 ( 3.559 1.336 2.997) 4.840 2.603 ( -3.705 6.612 -2.298) 7.920 2.794 ( 9.590 7.351 2.358) 12.311 2.926 ( 14.029 9.841 4.111) 17.622 3.218 ( 9.395 -3.124 -0.595) 9.918 3.302 ( 2.238 -1.388 6.590) 7.097 3.450 ( 2.118 -4.968 0.661) 5.441 3.518 ( -2.188 -3.851 -0.883) 4.516 3.603 ( 10.507 -2.568 -0.273) 10.819 3.698 ( 5.550 3.239 -2.482) 6.888 3.809 ( 8.543 -3.035 -4.425) 10.089 4.007 ( -7.248 -0.445 -3.197) 7.934 4.209 ( 5.398 -0.978 0.463) 5.505 4.314 ( -3.709 -4.114 -3.456) 6.529 4.406 ( -4.414 -5.284 -4.103) 8.015 4.538 ( 2.829 -6.360 -7.963) 10.577 4.636 ( -1.959 -4.667 -1.303) 5.226 4.778 ( -4.320 -0.167 -0.679) 4.377 5.023 ( -0.634 -3.996 -0.299) 4.057 5.216 ( -3.509 -3.190 0.380) 4.757 5.325 ( 1.378 4.413 -4.732) 6.615 5.481 ( 0.790 3.869 -3.498) 5.276 5.577 ( 1.337 3.222 1.194) 3.687 5.879 ( -1.232 2.005 -2.174) 3.204 5.932 ( -1.890 3.098 2.432) 4.368 6.020 ( -0.099 -0.730 -3.052) 3.140 6.115 ( -3.323 0.976 -1.868) 3.936 6.199 ( -4.176 1.187 -0.838) 4.421 6.359 ( 1.741 0.671 5.239) 5.561 6.515 ( -8.261 -3.000 1.712) 8.954 6.864 ( 1.657 2.860 -3.740) 4.992 6.986 ( -1.686 5.416 -3.606) 6.721 7.162 ( 4.396 -3.464 -3.659) 6.686 7.291 ( 1.413 -1.637 -3.477) 4.095 7.453 ( -5.966 1.139 0.469) 6.092 7.628 ( -5.296 -2.081 0.594) 5.721 7.731 ( -1.759 -0.525 -5.840) 6.121 7.746 ( -1.045 0.676 -4.465) 4.635 8.503 ( 1.248 1.339 13.608) 13.730 8.617 ( -3.531 0.182 16.350) 16.728 9.106 ( 4.738 -1.378 -2.619) 5.586 9.176 ( 3.676 0.007 -6.746) 7.682 9.539 ( 3.836 0.183 11.076) 11.722 9.688 ( -6.549 -1.534 8.865) 11.127 9.764 ( -3.320 0.678 -2.779) 4.382 9.847 ( -3.509 -0.475 1.578) 3.877 10.190 ( 7.355 -4.316 1.232) 8.616 10.403 ( 2.228 -1.119 -2.158) 3.297 11.369 ( -2.580 8.787 -4.282) 10.109 11.763 ( -9.266 -2.740 -3.696) 10.346 13.405 ( 0.314 0.518 18.990) 19.000 13.512 ( -5.610 -2.073 25.805) 26.489 16.071 ( 4.409 0.892 -2.645) 5.218 16.246 ( 0.339 -4.146 -4.643) 6.234 19.664 ( -0.378 0.171 6.532) 6.545 19.722 ( -3.321 -0.781 10.528) 11.067 21.145 ( 16.613 0.266 -2.632) 16.822 21.661 ( 11.239 -22.883 -7.372) 26.539 22.211 ( 1.762 0.117 0.697) 1.898 22.394 ( 1.870 -2.341 -1.204) 3.229 22.554 ( -3.971 4.358 -4.251) 7.269 22.660 ( -3.127 -0.088 -0.839) 3.239 23.736 ( -2.791 12.603 -3.698) 13.427 23.840 ( -4.470 10.679 -0.286) 11.580 24.178 ( -2.029 -3.548 -5.074) 6.515 24.353 ( -6.390 1.430 -5.052) 8.271 ======================= Grid point 45 (20/72) ======================= q-point: ( 0.43 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 14.386 9.169 6.737) 18.341 1.726 ( 12.037 9.065 -5.342) 15.988 1.964 ( -3.662 -1.748 1.953) 4.503 2.178 ( -8.638 -1.256 -0.578) 8.748 2.306 ( 2.677 1.985 -1.138) 3.522 2.479 ( -2.529 5.731 -3.884) 7.371 2.607 ( 10.123 -0.077 5.591) 11.565 2.778 ( 13.821 -1.967 4.808) 14.765 2.925 ( 4.276 2.667 3.306) 6.027 3.102 ( -7.498 -3.386 2.355) 8.558 3.229 ( 7.507 5.006 -0.192) 9.025 3.414 ( -2.518 -0.980 1.553) 3.116 3.478 ( 4.367 -1.021 -0.705) 4.540 3.566 ( 4.381 -3.097 -0.583) 5.397 3.637 ( -1.085 0.388 -0.669) 1.333 3.771 ( -3.885 -3.233 0.396) 5.069 3.976 ( 10.975 -0.998 -5.455) 12.296 4.068 ( 8.211 -1.874 -3.474) 9.111 4.179 ( -7.196 -0.433 -5.426) 9.023 4.226 ( -6.670 -3.944 -2.170) 8.047 4.372 ( 3.418 0.302 -4.142) 5.379 4.512 ( -5.813 2.496 -7.444) 9.769 4.740 ( 10.522 -5.483 8.983) 14.881 4.789 ( 4.555 -6.936 -0.548) 8.316 4.997 ( -0.721 -2.850 -3.562) 4.618 5.145 ( -9.958 2.536 -0.438) 10.285 5.260 ( 1.553 -3.965 1.579) 4.542 5.464 ( -1.942 0.844 -2.148) 3.017 5.699 ( -0.686 0.118 -2.729) 2.816 5.740 ( -2.911 -1.641 -0.107) 3.344 5.874 ( 1.234 7.211 4.005) 8.340 5.995 ( -3.876 2.460 1.263) 4.761 6.139 ( 2.809 0.551 -6.626) 7.218 6.175 ( 0.275 0.559 -4.053) 4.101 6.367 ( -1.487 -2.066 3.236) 4.117 6.397 ( -1.742 -1.288 5.178) 5.613 6.894 ( 1.720 3.882 -1.873) 4.640 6.941 ( -2.491 5.080 -2.595) 6.225 7.215 ( 1.165 -2.869 -1.833) 3.598 7.280 ( -2.657 -0.776 -0.113) 2.770 7.409 ( 2.946 -0.948 -2.062) 3.719 7.514 ( -5.242 -2.090 -0.180) 5.647 7.701 ( -0.926 -0.133 -6.826) 6.890 7.713 ( -1.561 1.587 -5.886) 6.293 8.531 ( 1.545 1.044 13.315) 13.444 8.567 ( -1.816 0.831 14.255) 14.395 9.212 ( 4.356 -0.010 -3.602) 5.652 9.242 ( 1.764 -0.346 -7.197) 7.418 9.560 ( -2.810 -1.138 5.318) 6.122 9.589 ( -0.735 -0.379 7.507) 7.553 9.724 ( 0.096 0.737 0.625) 0.971 9.771 ( -3.397 0.118 2.178) 4.037 10.340 ( 6.229 0.227 -1.002) 6.313 10.425 ( -1.021 1.951 -1.631) 2.740 11.394 ( 5.046 0.703 -3.397) 6.124 11.558 ( -9.828 -2.602 -3.371) 10.711 13.413 ( 0.352 -0.358 19.439) 19.445 13.447 ( -1.368 0.092 21.037) 21.081 16.155 ( 3.569 -0.358 -3.319) 4.886 16.222 ( -2.217 -1.727 -3.612) 4.577 19.662 ( 0.073 -0.226 6.318) 6.323 19.683 ( -0.912 0.165 7.387) 7.445 21.479 ( 14.617 -1.147 -4.638) 15.378 21.705 ( -5.724 -7.797 -6.705) 11.769 22.290 ( 5.434 -2.444 -0.829) 6.015 22.396 ( -3.315 -1.260 -2.692) 4.452 22.498 ( 0.121 -0.568 -1.016) 1.171 22.588 ( -3.106 -0.060 0.388) 3.130 23.709 ( -0.009 9.120 -1.988) 9.335 23.778 ( -1.918 8.710 0.199) 8.921 24.164 ( 0.887 -3.219 -4.254) 5.408 24.237 ( -4.348 -1.001 -3.681) 5.784 ======================= Grid point 49 (21/72) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 12.374 17.652) 21.557 1.065 ( 0.000 15.641 10.550) 18.867 1.360 ( 0.000 -7.614 14.655) 16.515 1.577 ( 0.000 -21.788 5.304) 22.424 2.143 ( 0.000 32.276 10.417) 33.915 2.272 ( 0.000 -0.352 0.270) 0.443 2.280 ( 0.000 11.827 1.623) 11.938 2.529 ( 0.000 4.983 3.383) 6.023 2.581 ( 0.000 -4.484 0.829) 4.560 2.804 ( 0.000 -17.979 4.482) 18.529 2.935 ( 0.000 1.842 0.801) 2.009 2.949 ( 0.000 0.533 1.413) 1.510 3.270 ( 0.000 7.187 3.586) 8.032 3.416 ( 0.000 -4.948 1.790) 5.262 3.523 ( 0.000 2.636 1.984) 3.299 3.659 ( 0.000 -6.771 -0.482) 6.788 3.779 ( 0.000 -1.731 1.164) 2.086 3.841 ( 0.000 -6.273 0.838) 6.329 3.993 ( 0.000 4.028 0.671) 4.083 4.190 ( 0.000 -11.355 1.624) 11.471 4.456 ( 0.000 0.554 -11.849) 11.862 4.505 ( 0.000 -4.151 -15.811) 16.347 4.779 ( 0.000 2.823 -3.186) 4.257 4.846 ( 0.000 -2.860 -6.255) 6.878 5.105 ( 0.000 7.369 -5.530) 9.213 5.238 ( 0.000 -5.360 -5.223) 7.484 5.464 ( 0.000 1.375 -1.311) 1.900 5.478 ( 0.000 -0.812 -2.462) 2.592 5.703 ( 0.000 2.057 -2.187) 3.003 5.725 ( 0.000 -0.458 -2.503) 2.545 5.980 ( 0.000 7.967 1.117) 8.045 6.098 ( 0.000 -3.951 -2.557) 4.706 6.263 ( 0.000 1.322 1.358) 1.895 6.276 ( 0.000 0.026 -0.389) 0.390 6.560 ( 0.000 5.678 8.194) 9.969 6.658 ( 0.000 -4.049 6.018) 7.253 6.796 ( 0.000 3.571 -2.125) 4.156 6.858 ( 0.000 -2.897 -1.833) 3.428 7.126 ( 0.000 1.629 -6.066) 6.281 7.166 ( 0.000 -2.477 -6.135) 6.616 7.634 ( 0.000 1.741 -4.078) 4.435 7.660 ( 0.000 -2.008 -3.077) 3.674 7.760 ( 0.000 1.206 -2.526) 2.799 7.791 ( 0.000 -1.305 -3.627) 3.855 8.513 ( 0.000 5.232 17.437) 18.205 8.660 ( 0.000 -10.690 23.041) 25.400 9.037 ( 0.000 4.591 -2.069) 5.036 9.105 ( 0.000 -2.773 -1.724) 3.265 9.415 ( 0.000 5.064 13.618) 14.529 9.544 ( 0.000 -8.796 13.991) 16.526 9.874 ( 0.000 0.505 -2.293) 2.348 9.883 ( 0.000 -0.536 -2.097) 2.164 10.107 ( 0.000 4.829 3.875) 6.191 10.231 ( 0.000 -7.158 0.337) 7.166 11.851 ( 0.000 7.407 -12.716) 14.716 11.939 ( 0.000 -2.719 -7.370) 7.855 13.457 ( 0.000 4.879 22.828) 23.344 13.614 ( 0.000 -13.332 30.959) 33.708 15.999 ( 0.000 0.343 -2.304) 2.329 16.001 ( 0.000 0.033 -1.526) 1.526 19.722 ( 0.000 3.146 10.871) 11.317 19.829 ( 0.000 -9.737 18.640) 21.030 20.614 ( 0.000 2.830 -0.265) 2.842 20.670 ( 0.000 -3.020 -0.651) 3.090 22.248 ( 0.000 2.755 -0.535) 2.806 22.301 ( 0.000 -2.700 -0.754) 2.803 22.695 ( 0.000 1.072 -3.186) 3.361 22.708 ( 0.000 -0.372 -2.431) 2.459 23.911 ( 0.000 6.121 -2.061) 6.459 24.041 ( 0.000 -7.651 -2.595) 8.079 24.595 ( 0.000 6.337 -20.073) 21.049 24.612 ( 0.000 2.900 -11.207) 11.577 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.14 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 14.007 19.677 2.150) 24.249 1.344 ( 17.070 10.324 10.688) 22.632 1.544 ( 13.638 -13.732 4.932) 19.972 1.681 ( 11.643 -15.407 5.661) 20.124 2.167 ( 3.076 20.573 9.118) 22.713 2.301 ( 2.952 5.371 2.967) 6.809 2.462 ( 6.371 5.601 2.923) 8.973 2.589 ( 11.719 5.645 1.709) 13.119 2.707 ( 9.226 0.417 1.478) 9.353 2.814 ( 4.741 -11.380 6.430) 13.904 2.992 ( 5.620 1.892 1.012) 6.016 3.122 ( 12.344 -1.273 1.294) 12.476 3.291 ( 2.713 4.588 2.834) 6.037 3.419 ( 0.547 -7.048 1.697) 7.270 3.502 ( -3.026 -3.197 0.966) 4.507 3.590 ( -2.394 -2.981 1.682) 4.177 3.791 ( 2.519 3.241 -0.973) 4.219 3.912 ( 4.558 -8.857 -0.514) 9.974 4.066 ( 5.278 2.161 1.332) 5.857 4.180 ( -1.363 -6.446 0.812) 6.638 4.395 ( -3.170 -3.429 -11.236) 12.168 4.496 ( -2.171 -2.354 -13.077) 13.464 4.736 ( -4.473 3.025 -3.096) 6.225 4.835 ( -2.501 -3.246 -6.069) 7.323 5.069 ( -1.763 7.488 -2.918) 8.227 5.214 ( -2.224 -6.899 -4.731) 8.656 5.398 ( -3.023 2.373 0.164) 3.847 5.429 ( -2.564 -0.570 -1.351) 2.954 5.741 ( 1.640 4.280 -3.110) 5.539 5.817 ( 6.447 -2.346 -4.358) 8.127 5.953 ( -1.687 6.739 0.519) 6.966 6.062 ( -2.883 -3.802 -2.931) 5.599 6.223 ( -2.771 0.532 2.058) 3.492 6.287 ( 0.259 1.416 0.617) 1.566 6.479 ( -7.407 5.205 6.733) 11.282 6.591 ( -6.488 -5.066 3.952) 9.131 6.859 ( 4.809 3.850 -2.913) 6.814 6.943 ( 6.293 -2.951 -1.621) 7.137 7.127 ( 0.668 2.172 -5.605) 6.048 7.203 ( 2.285 -2.302 -6.422) 7.194 7.612 ( -2.568 1.953 -0.784) 3.321 7.663 ( -2.998 -1.464 -1.702) 3.746 7.734 ( 0.637 -0.455 -4.824) 4.887 7.763 ( -2.386 -0.453 -4.844) 5.419 8.526 ( 0.964 4.370 16.847) 17.431 8.637 ( -2.039 -6.881 21.021) 22.212 9.014 ( 0.641 0.643 -3.198) 3.325 9.127 ( 1.104 -0.359 -3.840) 4.012 9.463 ( 5.046 2.528 14.337) 15.408 9.650 ( 5.575 -6.010 13.995) 16.219 9.842 ( -2.723 0.661 -2.435) 3.712 9.862 ( -1.864 -1.220 -1.405) 2.634 10.098 ( 0.726 5.483 0.834) 5.594 10.247 ( 1.846 -7.135 -0.523) 7.388 11.738 ( -9.236 8.951 -9.311) 15.879 11.867 ( -6.826 -3.882 -6.226) 10.021 13.442 ( -1.197 3.270 21.942) 22.217 13.546 ( -4.730 -7.357 27.701) 29.049 16.025 ( 3.282 2.447 -2.178) 4.637 16.085 ( 5.088 -3.881 -2.832) 6.998 19.697 ( -1.789 1.475 9.474) 9.753 19.766 ( -3.842 -3.716 13.757) 14.759 20.832 ( 14.306 0.227 -1.128) 14.352 20.892 ( 21.396 -7.411 -0.600) 22.652 22.248 ( 0.084 3.041 -0.458) 3.076 22.310 ( 0.877 -2.996 -0.634) 3.186 22.667 ( -2.495 0.788 -3.353) 4.253 22.702 ( -1.011 -0.072 -2.077) 2.311 23.900 ( -1.022 5.970 -2.036) 6.390 24.020 ( -1.864 -6.474 -2.381) 7.146 24.445 ( -11.667 9.742 -14.056) 20.703 24.527 ( -7.844 0.096 -9.971) 12.688 ======================= Grid point 51 (23/72) ======================= q-point: ( 0.29 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 18.796 15.322 -2.897) 24.422 1.641 ( 11.741 17.050 6.778) 21.783 1.797 ( 10.460 -15.118 -4.000) 18.814 1.979 ( 10.865 -16.959 4.663) 20.674 2.270 ( 6.347 1.797 0.398) 6.609 2.363 ( 6.628 5.811 4.292) 9.804 2.582 ( 7.420 11.976 5.390) 15.084 2.716 ( -1.125 2.450 0.089) 2.698 2.923 ( 10.066 5.109 0.996) 11.332 3.083 ( 13.731 5.763 3.255) 15.243 3.143 ( 5.848 -3.229 -0.557) 6.704 3.241 ( 3.935 -5.101 8.278) 10.490 3.365 ( -0.417 -2.325 2.930) 3.763 3.420 ( -0.329 -6.020 0.046) 6.029 3.558 ( 12.330 -2.015 -0.594) 12.508 3.636 ( 4.201 -5.091 0.382) 6.612 3.875 ( 5.323 5.769 -2.919) 8.374 3.990 ( 0.858 -1.391 -1.492) 2.213 4.161 ( 6.615 -2.811 0.320) 7.194 4.189 ( 2.104 -4.592 0.088) 5.052 4.341 ( -2.176 -2.038 -8.460) 8.970 4.435 ( -2.502 -3.245 -9.371) 10.227 4.638 ( -2.742 3.384 -0.655) 4.404 4.747 ( -4.292 -3.482 -2.474) 6.056 5.004 ( -4.731 1.626 -0.538) 5.031 5.126 ( -6.579 -4.818 -0.921) 8.206 5.400 ( 5.694 3.107 -3.953) 7.596 5.499 ( 4.638 -1.245 -3.228) 5.786 5.671 ( -7.292 5.287 -2.960) 9.481 5.857 ( -7.819 -3.936 -1.220) 8.838 5.969 ( 4.637 1.964 -3.986) 6.422 6.043 ( 3.307 0.532 -0.026) 3.350 6.165 ( -3.313 3.899 4.425) 6.765 6.246 ( -4.619 3.207 0.955) 5.703 6.354 ( -2.346 -0.287 3.649) 4.347 6.425 ( -8.127 -5.923 1.531) 10.172 6.942 ( 2.884 4.652 -2.604) 6.061 7.043 ( 2.647 -1.972 -0.753) 3.386 7.147 ( 0.913 3.991 -4.969) 6.438 7.240 ( 1.233 -3.871 -4.670) 6.190 7.485 ( -7.144 1.955 0.825) 7.453 7.579 ( -5.090 -2.497 2.633) 6.251 7.720 ( -1.691 -0.334 -8.815) 8.982 7.758 ( 0.165 0.382 -7.235) 7.247 8.540 ( 0.455 2.582 15.302) 15.525 8.596 ( -1.544 -2.380 17.286) 17.517 9.088 ( 5.981 -0.387 -4.500) 7.495 9.173 ( 3.216 -0.205 -6.309) 7.084 9.552 ( 2.364 0.847 12.915) 13.156 9.653 ( -4.418 -1.604 10.212) 11.242 9.782 ( -2.721 1.110 -1.810) 3.451 9.823 ( -2.244 -1.636 1.048) 2.968 10.199 ( 8.504 4.335 -1.734) 9.702 10.325 ( 5.734 -5.990 -2.040) 8.539 11.541 ( -8.641 8.485 -5.171) 13.168 11.685 ( -9.949 -5.507 -4.311) 12.161 13.419 ( -0.915 0.782 20.462) 20.497 13.473 ( -2.142 -1.637 22.748) 22.908 16.099 ( 3.381 2.140 -2.911) 4.948 16.165 ( 2.412 -3.858 -3.138) 5.527 19.668 ( -0.898 0.179 7.429) 7.485 19.708 ( -1.802 -0.535 9.264) 9.452 21.175 ( 17.198 3.667 -2.777) 17.803 21.320 ( 17.672 -12.427 -3.518) 21.888 22.255 ( 0.663 3.482 -0.149) 3.548 22.333 ( 1.252 -3.735 -0.392) 3.958 22.592 ( -4.737 0.670 -3.362) 5.847 22.658 ( -3.246 -0.070 -1.036) 3.408 23.877 ( -0.980 6.059 -2.073) 6.478 23.975 ( -2.224 -2.226 -1.658) 3.557 24.216 ( -8.952 8.086 -7.590) 14.253 24.342 ( -8.914 -3.065 -6.291) 11.332 ======================= Grid point 52 (24/72) ======================= q-point: ( 0.43 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 6.755 8.684 6.725) 12.894 1.841 ( -2.396 -1.437 3.502) 4.479 1.961 ( 12.734 4.409 -1.499) 13.559 2.093 ( 1.525 -6.393 1.666) 6.781 2.389 ( 2.817 4.303 -6.512) 8.298 2.570 ( 6.554 1.285 -3.601) 7.588 2.621 ( 1.717 2.622 0.906) 3.262 2.783 ( 4.100 1.022 4.361) 6.072 2.976 ( -6.944 1.921 1.738) 7.412 3.093 ( 4.685 4.553 2.656) 7.052 3.275 ( 1.200 -1.617 1.009) 2.252 3.341 ( -4.204 -6.233 -1.404) 7.648 3.448 ( 10.638 -0.864 0.092) 10.674 3.515 ( 8.875 -1.894 3.159) 9.609 3.644 ( -3.761 0.831 -0.623) 3.901 3.725 ( 1.703 -1.279 1.790) 2.783 3.965 ( 3.674 0.023 -4.899) 6.123 4.034 ( 5.086 -1.654 -4.308) 6.868 4.153 ( -6.026 -1.606 -3.309) 7.060 4.166 ( -5.700 -1.534 -4.549) 7.453 4.410 ( 6.481 3.730 -4.339) 8.645 4.527 ( 6.871 -4.453 -3.323) 8.836 4.606 ( -2.208 -1.367 1.662) 3.083 4.740 ( 3.852 -1.479 4.744) 6.287 4.956 ( 3.846 -0.966 -2.863) 4.891 5.092 ( 6.060 -4.372 1.933) 7.718 5.277 ( -17.826 3.075 -4.307) 18.595 5.461 ( -9.082 -1.296 -1.352) 9.273 5.681 ( 0.859 -0.520 -0.961) 1.390 5.714 ( 3.280 -1.186 -0.534) 3.529 6.016 ( -0.586 4.739 2.695) 5.483 6.063 ( -2.694 4.228 1.155) 5.144 6.159 ( 3.683 2.472 -2.841) 5.267 6.204 ( -0.209 2.376 -0.410) 2.420 6.290 ( -1.718 -5.594 -0.998) 5.937 6.335 ( -2.456 -4.386 3.355) 6.044 6.988 ( 1.962 4.967 -0.986) 5.431 7.046 ( -1.889 3.700 0.441) 4.178 7.166 ( 1.015 -0.912 -3.911) 4.142 7.233 ( -1.564 -3.862 -2.189) 4.707 7.411 ( 0.108 0.683 -0.397) 0.797 7.481 ( -3.561 -1.118 2.341) 4.406 7.687 ( -1.145 -0.811 -9.981) 10.079 7.738 ( -1.338 0.768 -7.652) 7.806 8.549 ( 0.359 0.644 13.310) 13.331 8.577 ( -0.434 0.183 15.505) 15.513 9.216 ( 4.475 0.475 -4.463) 6.338 9.231 ( 2.161 -0.757 -6.388) 6.786 9.544 ( -4.211 -0.435 5.046) 6.587 9.579 ( 0.634 -0.378 8.183) 8.216 9.734 ( -1.757 0.172 1.021) 2.039 9.776 ( -1.608 0.300 2.602) 3.073 10.374 ( 6.671 2.820 -2.181) 7.564 10.430 ( 2.518 -1.437 -2.174) 3.624 11.425 ( -1.707 2.530 -3.500) 4.644 11.496 ( -7.253 -3.629 -3.202) 8.720 13.407 ( -0.262 -0.207 19.466) 19.468 13.449 ( -0.435 0.049 20.637) 20.642 16.151 ( 1.478 -0.024 -3.637) 3.925 16.190 ( 0.308 -1.222 -2.787) 3.058 19.658 ( -0.181 -0.118 6.403) 6.406 19.685 ( -0.512 0.085 7.422) 7.441 21.474 ( 10.149 1.127 -5.125) 11.426 21.557 ( 4.474 -6.331 -5.382) 9.438 22.287 ( 2.572 1.428 -0.013) 2.942 22.347 ( -0.673 -2.920 -0.035) 2.997 22.495 ( -3.382 -0.019 -2.741) 4.353 22.586 ( -2.805 -0.112 0.347) 2.829 23.867 ( 0.069 6.920 -2.466) 7.347 23.936 ( -1.426 4.682 -0.458) 4.916 24.106 ( -1.837 -1.588 -5.757) 6.248 24.196 ( -4.489 -2.975 -3.637) 6.499 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 0.000 27.649) 27.649 1.304 ( 0.000 0.000 24.872) 24.872 1.912 ( 0.000 0.000 20.954) 20.954 1.971 ( 0.000 0.000 22.645) 22.645 2.085 ( 0.000 0.000 -7.316) 7.316 2.126 ( 0.000 0.000 16.504) 16.504 2.446 ( 0.000 0.000 10.357) 10.357 2.588 ( 0.000 0.000 6.298) 6.298 2.632 ( 0.000 0.000 2.472) 2.472 2.755 ( 0.000 0.000 2.326) 2.326 2.954 ( 0.000 0.000 3.192) 3.192 3.034 ( 0.000 0.000 6.379) 6.379 3.239 ( 0.000 0.000 3.336) 3.336 3.363 ( 0.000 0.000 -2.203) 2.203 3.484 ( 0.000 0.000 -3.935) 3.935 3.761 ( 0.000 0.000 -5.552) 5.552 3.764 ( 0.000 0.000 -10.036) 10.036 3.839 ( 0.000 0.000 -3.040) 3.040 4.289 ( 0.000 0.000 -7.417) 7.417 4.321 ( 0.000 0.000 -7.629) 7.629 4.409 ( 0.000 0.000 -2.006) 2.006 4.474 ( 0.000 0.000 -5.793) 5.793 4.520 ( 0.000 0.000 -4.781) 4.781 4.778 ( 0.000 0.000 -2.270) 2.270 5.066 ( 0.000 0.000 -0.086) 0.086 5.143 ( 0.000 0.000 -5.448) 5.448 5.330 ( 0.000 0.000 -11.089) 11.089 5.424 ( 0.000 0.000 1.691) 1.691 5.529 ( 0.000 0.000 -10.785) 10.785 5.653 ( 0.000 0.000 -3.705) 3.705 5.869 ( 0.000 0.000 9.428) 9.428 6.091 ( 0.000 0.000 -3.463) 3.463 6.116 ( 0.000 0.000 0.338) 0.338 6.353 ( 0.000 0.000 -3.587) 3.587 6.463 ( 0.000 0.000 7.982) 7.982 6.679 ( 0.000 0.000 -3.604) 3.604 6.736 ( 0.000 0.000 2.469) 2.469 6.938 ( 0.000 0.000 0.310) 0.310 7.101 ( 0.000 0.000 3.535) 3.535 7.157 ( 0.000 0.000 -1.771) 1.771 7.427 ( 0.000 0.000 -4.520) 4.520 7.690 ( 0.000 0.000 -0.976) 0.976 7.747 ( 0.000 0.000 -2.327) 2.327 7.806 ( 0.000 0.000 -2.908) 2.908 8.697 ( 0.000 0.000 11.883) 11.883 8.924 ( 0.000 0.000 2.323) 2.323 9.205 ( 0.000 0.000 3.100) 3.100 9.213 ( 0.000 0.000 6.203) 6.203 9.597 ( 0.000 0.000 11.726) 11.726 9.734 ( 0.000 0.000 -7.027) 7.027 9.841 ( 0.000 0.000 -2.995) 2.995 9.911 ( 0.000 0.000 9.058) 9.058 10.348 ( 0.000 0.000 -2.511) 2.511 10.557 ( 0.000 0.000 -5.521) 5.521 11.124 ( 0.000 0.000 -5.532) 5.532 11.866 ( 0.000 0.000 -6.980) 6.980 13.893 ( 0.000 0.000 28.387) 28.387 14.795 ( 0.000 0.000 10.813) 10.813 15.882 ( 0.000 0.000 -3.171) 3.171 15.963 ( 0.000 0.000 -2.643) 2.643 19.871 ( 0.000 0.000 10.885) 10.885 20.563 ( 0.000 0.000 0.817) 0.817 20.701 ( 0.000 0.000 -2.253) 2.253 21.083 ( 0.000 0.000 -4.196) 4.196 22.251 ( 0.000 0.000 1.015) 1.015 22.311 ( 0.000 0.000 -1.628) 1.628 22.336 ( 0.000 0.000 -1.242) 1.242 22.649 ( 0.000 0.000 -3.618) 3.618 23.489 ( 0.000 0.000 2.847) 2.847 23.834 ( 0.000 0.000 -1.440) 1.440 24.159 ( 0.000 0.000 -7.642) 7.642 24.300 ( 0.000 0.000 -7.426) 7.426 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -5.188 0.000 28.854) 29.317 1.245 ( 5.291 0.000 25.038) 25.591 1.924 ( 3.401 0.000 3.369) 4.788 2.133 ( 17.170 0.000 9.116) 19.440 2.200 ( 7.186 0.000 9.546) 11.948 2.304 ( 10.625 0.000 10.758) 15.121 2.447 ( -2.047 0.000 3.920) 4.422 2.584 ( 0.214 0.000 3.475) 3.482 2.701 ( 6.863 0.000 9.722) 11.900 2.764 ( 1.774 0.000 5.124) 5.422 3.052 ( 7.349 0.000 1.026) 7.421 3.179 ( 10.438 0.000 -0.040) 10.438 3.307 ( 8.993 0.000 5.763) 10.681 3.438 ( 7.256 0.000 -2.018) 7.531 3.526 ( 2.936 0.000 -3.257) 4.385 3.650 ( -5.741 0.000 -3.605) 6.779 3.719 ( -3.470 0.000 -5.711) 6.682 3.946 ( 5.183 0.000 -4.103) 6.610 4.222 ( -4.690 0.000 -4.451) 6.466 4.305 ( -2.115 0.000 -6.521) 6.855 4.386 ( -1.000 0.000 -4.247) 4.363 4.441 ( -2.498 0.000 -6.929) 7.366 4.627 ( 6.990 0.000 -3.997) 8.052 4.806 ( 2.032 0.000 -0.311) 2.055 5.053 ( -0.910 0.000 -3.676) 3.787 5.195 ( 2.742 0.000 -5.675) 6.303 5.251 ( -2.325 0.000 -6.643) 7.038 5.304 ( -7.319 0.000 -0.255) 7.324 5.590 ( 1.092 0.000 -7.270) 7.352 5.716 ( 3.879 0.000 -3.944) 5.532 5.848 ( -0.308 0.000 3.991) 4.003 6.077 ( -1.398 0.000 -3.339) 3.620 6.088 ( -2.991 0.000 1.276) 3.251 6.298 ( -5.010 0.000 -2.071) 5.422 6.471 ( 1.214 0.000 8.204) 8.293 6.657 ( -2.241 0.000 -2.999) 3.744 6.740 ( 0.946 0.000 0.925) 1.323 6.990 ( -7.440 0.000 2.121) 7.736 7.016 ( 5.932 0.000 -0.059) 5.932 7.214 ( 3.056 0.000 -2.396) 3.883 7.433 ( 0.095 0.000 -4.065) 4.066 7.676 ( -0.527 0.000 -0.107) 0.537 7.764 ( -0.172 0.000 -1.652) 1.661 7.775 ( -2.831 0.000 -1.885) 3.401 8.720 ( 1.868 0.000 11.708) 11.856 8.861 ( -4.509 0.000 1.942) 4.910 9.147 ( -3.949 0.000 2.747) 4.810 9.196 ( -2.186 0.000 6.042) 6.425 9.647 ( 2.867 0.000 4.729) 5.531 9.742 ( 1.272 0.000 0.394) 1.331 9.831 ( -0.653 0.000 -1.701) 1.822 9.941 ( 1.808 0.000 8.018) 8.219 10.321 ( -1.962 0.000 -3.271) 3.814 10.440 ( -9.045 0.000 -2.316) 9.337 11.133 ( 0.913 0.000 -5.775) 5.846 11.819 ( -4.551 0.000 -7.022) 8.368 13.897 ( 0.401 0.000 28.333) 28.336 14.495 ( -20.629 0.000 23.039) 30.925 15.913 ( 2.790 0.000 -3.654) 4.597 16.076 ( 6.367 0.000 -7.042) 9.494 19.857 ( -1.096 0.000 10.538) 10.595 20.238 ( -17.086 0.000 11.007) 20.325 20.807 ( 9.600 0.000 -3.011) 10.061 21.428 ( 17.604 0.000 -16.121) 23.871 22.262 ( 1.079 0.000 0.774) 1.328 22.299 ( -0.381 0.000 -1.752) 1.793 22.372 ( 2.632 0.000 -1.104) 2.854 22.646 ( -0.424 0.000 -3.403) 3.430 23.503 ( 1.367 0.000 2.584) 2.923 23.812 ( -2.003 0.000 -0.976) 2.228 24.141 ( -1.670 0.000 -7.535) 7.718 24.275 ( -2.302 0.000 -7.115) 7.478 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 11.775 0.000 16.613) 20.362 1.403 ( 9.783 0.000 18.393) 20.833 2.019 ( 2.317 0.000 -8.141) 8.464 2.292 ( -5.824 0.000 -3.797) 6.953 2.370 ( 2.786 0.000 10.554) 10.916 2.437 ( 4.792 0.000 3.196) 5.760 2.578 ( 17.215 0.000 12.912) 21.519 2.609 ( 5.434 0.000 3.775) 6.617 2.855 ( 9.116 0.000 4.695) 10.254 2.865 ( 7.255 0.000 6.674) 9.858 3.231 ( 8.236 0.000 0.719) 8.268 3.350 ( 6.753 0.000 -2.682) 7.266 3.479 ( 3.134 0.000 -4.465) 5.455 3.509 ( -4.016 0.000 -2.488) 4.724 3.615 ( 0.588 0.000 -1.374) 1.494 3.661 ( 8.804 0.000 2.185) 9.071 3.750 ( 12.920 0.000 -1.181) 12.974 3.938 ( -6.262 0.000 -2.635) 6.793 4.162 ( -3.060 0.000 -7.795) 8.374 4.267 ( -0.329 0.000 -1.311) 1.352 4.350 ( -3.124 0.000 -8.753) 9.294 4.393 ( -1.441 0.000 -3.446) 3.735 4.715 ( 2.933 0.000 -1.453) 3.274 4.823 ( -1.742 0.000 1.210) 2.121 5.086 ( -4.972 0.000 -1.368) 5.157 5.108 ( 5.640 0.000 -4.773) 7.388 5.283 ( 3.189 0.000 -1.092) 3.371 5.345 ( 4.887 0.000 -5.027) 7.011 5.551 ( -1.163 0.000 -1.940) 2.262 5.768 ( 0.279 0.000 -6.112) 6.119 5.879 ( 1.591 0.000 -7.148) 7.323 6.005 ( -3.758 0.000 5.579) 6.727 6.034 ( -2.577 0.000 -3.661) 4.477 6.167 ( -6.997 0.000 0.583) 7.021 6.515 ( 2.492 0.000 8.112) 8.486 6.586 ( -4.039 0.000 1.814) 4.428 6.770 ( 1.606 0.000 -0.382) 1.651 6.861 ( -4.131 0.000 -0.660) 4.184 7.138 ( 5.680 0.000 -1.060) 5.778 7.266 ( 1.698 0.000 -2.972) 3.423 7.408 ( -2.535 0.000 -1.614) 3.005 7.648 ( -3.354 0.000 0.843) 3.458 7.706 ( -3.395 0.000 -0.928) 3.520 7.712 ( -4.202 0.000 -0.806) 4.279 8.748 ( 0.531 0.000 10.355) 10.369 8.795 ( -1.503 0.000 2.264) 2.718 9.103 ( 0.113 0.000 -0.319) 0.339 9.128 ( -3.485 0.000 1.358) 3.740 9.668 ( -0.092 0.000 -3.864) 3.865 9.779 ( 1.140 0.000 11.435) 11.492 9.813 ( -1.149 0.000 1.484) 1.877 9.926 ( -4.349 0.000 8.981) 9.979 10.305 ( 0.973 0.000 -4.075) 4.190 10.308 ( -1.867 0.000 -1.981) 2.722 11.171 ( 3.236 0.000 -6.370) 7.145 11.680 ( -8.772 0.000 -6.982) 11.212 13.911 ( 0.960 0.000 28.285) 28.301 14.155 ( -11.475 0.000 29.229) 31.401 15.985 ( 3.863 0.000 -4.725) 6.103 16.147 ( 0.666 0.000 -7.742) 7.771 19.838 ( -0.508 0.000 10.113) 10.126 19.988 ( -7.841 0.000 12.401) 14.672 21.061 ( 14.094 0.000 -5.429) 15.103 21.632 ( 2.474 0.000 -17.016) 17.195 22.290 ( 1.424 0.000 -0.326) 1.461 22.300 ( 0.387 0.000 -1.810) 1.851 22.434 ( 3.285 0.000 -0.975) 3.427 22.625 ( -1.792 0.000 -2.598) 3.156 23.545 ( 2.648 0.000 1.853) 3.232 23.759 ( -3.038 0.000 -0.543) 3.086 24.103 ( -1.541 0.000 -6.543) 6.722 24.212 ( -3.555 0.000 -6.388) 7.310 ======================= Grid point 73 (28/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 15.260 0.000 4.170) 15.820 1.619 ( 9.567 0.000 9.670) 13.603 1.967 ( -4.945 0.000 -3.792) 6.231 2.071 ( -13.131 0.000 -4.135) 13.767 2.398 ( 1.422 0.000 9.167) 9.277 2.439 ( -2.287 0.000 4.447) 5.001 2.854 ( 8.943 0.000 8.495) 12.335 2.865 ( 13.120 0.000 3.168) 13.497 2.966 ( 3.525 0.000 1.692) 3.910 3.100 ( 5.620 0.000 0.407) 5.635 3.249 ( -0.252 0.000 1.560) 1.580 3.404 ( -7.029 0.000 -0.688) 7.063 3.485 ( 4.135 0.000 -0.916) 4.235 3.575 ( -4.231 0.000 -2.405) 4.867 3.590 ( 10.361 0.000 -2.749) 10.719 3.780 ( -8.118 0.000 -1.544) 8.263 3.854 ( 9.431 0.000 -5.046) 10.696 4.013 ( 10.370 0.000 -6.066) 12.014 4.038 ( -8.147 0.000 -7.183) 10.862 4.200 ( -6.959 0.000 -4.689) 8.391 4.303 ( 0.308 0.000 -5.314) 5.322 4.360 ( -3.714 0.000 1.694) 4.082 4.799 ( 2.250 0.000 -9.277) 9.546 4.807 ( 3.943 0.000 -4.265) 5.809 5.082 ( 1.975 0.000 9.226) 9.435 5.142 ( -3.584 0.000 3.556) 5.049 5.341 ( 5.400 0.000 0.609) 5.435 5.412 ( 0.898 0.000 -4.133) 4.230 5.634 ( 4.412 0.000 -4.884) 6.582 5.698 ( -5.362 0.000 -3.658) 6.491 5.864 ( 0.747 0.000 -1.479) 1.657 5.964 ( -5.317 0.000 -4.367) 6.881 6.003 ( 2.293 0.000 -0.756) 2.414 6.055 ( -3.186 0.000 -0.820) 3.290 6.538 ( -0.187 0.000 7.534) 7.536 6.546 ( 0.139 0.000 8.431) 8.432 6.800 ( 1.174 0.000 -1.475) 1.885 6.816 ( -0.852 0.000 -2.200) 2.360 7.234 ( 2.667 0.000 -0.954) 2.832 7.270 ( -1.285 0.000 -1.150) 1.725 7.387 ( 2.962 0.000 0.471) 2.999 7.519 ( -7.869 0.000 0.793) 7.909 7.645 ( -1.712 0.000 -1.415) 2.221 7.649 ( -1.828 0.000 -1.491) 2.360 8.757 ( 0.802 0.000 8.380) 8.418 8.778 ( -0.855 0.000 6.086) 6.145 9.093 ( 0.452 0.000 -6.562) 6.578 9.114 ( -0.308 0.000 -6.007) 6.015 9.685 ( 2.589 0.000 3.795) 4.594 9.773 ( -4.052 0.000 10.673) 11.417 9.786 ( 0.178 0.000 7.399) 7.401 9.812 ( -3.695 0.000 2.321) 4.363 10.327 ( 1.841 0.000 -2.784) 3.338 10.338 ( 1.072 0.000 -3.183) 3.359 11.282 ( 7.689 0.000 -6.823) 10.280 11.476 ( -10.408 0.000 -6.914) 12.495 13.939 ( 1.882 0.000 28.464) 28.526 14.000 ( -4.508 0.000 29.040) 29.388 16.063 ( 3.537 0.000 -5.822) 6.812 16.125 ( -2.321 0.000 -6.809) 7.194 19.841 ( 0.904 0.000 10.213) 10.253 19.881 ( -3.179 0.000 11.057) 11.505 21.350 ( 13.120 0.000 -9.053) 15.940 21.570 ( -7.581 0.000 -13.129) 15.161 22.309 ( 0.407 0.000 -1.642) 1.692 22.310 ( 0.421 0.000 -1.249) 1.318 22.504 ( 3.459 0.000 -1.069) 3.621 22.573 ( -3.079 0.000 -1.595) 3.467 23.610 ( 3.598 0.000 0.851) 3.697 23.688 ( -3.764 0.000 -0.064) 3.764 24.095 ( 0.983 0.000 -5.647) 5.732 24.140 ( -3.138 0.000 -5.716) 6.520 ======================= Grid point 77 (29/72) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 8.723 22.817) 24.427 1.339 ( 0.000 3.515 22.586) 22.858 1.814 ( 0.000 -9.807 8.958) 13.282 1.969 ( 0.000 -11.070 -1.992) 11.247 2.086 ( 0.000 17.213 35.536) 39.486 2.217 ( 0.000 5.649 9.130) 10.736 2.401 ( 0.000 -4.420 9.975) 10.910 2.596 ( 0.000 1.107 7.525) 7.606 2.598 ( 0.000 0.227 -0.453) 0.507 2.877 ( 0.000 7.554 2.077) 7.835 2.978 ( 0.000 1.543 3.188) 3.541 3.017 ( 0.000 -2.115 5.545) 5.935 3.271 ( 0.000 3.648 4.681) 5.934 3.351 ( 0.000 0.802 -2.673) 2.791 3.564 ( 0.000 6.681 -4.475) 8.041 3.647 ( 0.000 -8.011 -6.306) 10.195 3.806 ( 0.000 1.213 -1.899) 2.254 3.844 ( 0.000 0.968 -1.549) 1.826 4.192 ( 0.000 -13.390 -2.195) 13.569 4.278 ( 0.000 -1.196 -7.512) 7.607 4.362 ( 0.000 -3.443 -3.784) 5.115 4.399 ( 0.000 -7.192 -3.059) 7.816 4.594 ( 0.000 5.711 -9.111) 10.753 4.715 ( 0.000 -4.900 -3.102) 5.799 5.015 ( 0.000 -3.880 -0.927) 3.989 5.157 ( 0.000 -0.058 -6.714) 6.714 5.352 ( 0.000 1.534 -10.092) 10.208 5.404 ( 0.000 -1.398 -3.725) 3.979 5.579 ( 0.000 3.781 -7.058) 8.007 5.625 ( 0.000 -1.403 -2.335) 2.725 5.925 ( 0.000 4.327 5.058) 6.656 6.040 ( 0.000 -2.055 -4.037) 4.530 6.222 ( 0.000 6.827 0.843) 6.879 6.304 ( 0.000 -1.780 0.448) 1.835 6.571 ( 0.000 8.102 4.582) 9.308 6.698 ( 0.000 1.743 -3.364) 3.789 6.730 ( 0.000 -0.473 0.656) 0.808 6.905 ( 0.000 -3.320 0.401) 3.344 7.099 ( 0.000 -0.394 2.950) 2.977 7.125 ( 0.000 -2.605 -2.078) 3.333 7.482 ( 0.000 4.496 -3.940) 5.978 7.665 ( 0.000 -2.918 -1.584) 3.320 7.729 ( 0.000 -1.449 -1.776) 2.292 7.771 ( 0.000 -2.623 -2.317) 3.499 8.733 ( 0.000 4.063 12.488) 13.132 8.960 ( 0.000 3.502 2.104) 4.085 9.115 ( 0.000 -5.497 3.356) 6.441 9.247 ( 0.000 -1.141 8.557) 8.632 9.614 ( 0.000 1.824 11.209) 11.357 9.725 ( 0.000 -0.732 -5.592) 5.639 9.836 ( 0.000 -0.494 -3.054) 3.094 9.890 ( 0.000 -2.350 6.093) 6.531 10.317 ( 0.000 -3.099 -1.486) 3.437 10.349 ( 0.000 -13.305 3.386) 13.729 11.338 ( 0.000 15.563 -10.839) 18.966 11.840 ( 0.000 -2.793 -7.770) 8.256 13.922 ( 0.000 3.260 28.638) 28.823 14.586 ( 0.000 -18.448 19.593) 26.911 15.906 ( 0.000 1.841 -3.798) 4.221 15.960 ( 0.000 -0.293 -2.801) 2.816 19.898 ( 0.000 2.999 11.588) 11.970 20.576 ( 0.000 1.323 0.601) 1.453 20.645 ( 0.000 -20.476 5.942) 21.321 20.712 ( 0.000 -11.018 3.988) 11.717 22.206 ( 0.000 0.371 0.262) 0.454 22.320 ( 0.000 -1.629 -1.219) 2.035 22.512 ( 0.000 8.746 -6.042) 10.630 22.648 ( 0.000 -0.187 -3.670) 3.675 23.700 ( 0.000 13.155 -4.619) 13.943 23.929 ( 0.000 12.606 -6.237) 14.065 24.086 ( 0.000 -6.046 -5.962) 8.491 24.341 ( 0.000 2.399 -9.617) 9.911 ======================= Grid point 78 (30/72) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.202 4.675 24.277) 24.821 1.464 ( 5.736 13.271 20.380) 24.988 1.890 ( 1.229 -8.445 -1.514) 8.667 1.990 ( 11.249 -7.491 7.941) 15.675 2.190 ( 9.856 2.943 20.004) 22.494 2.337 ( 6.779 2.329 4.106) 8.261 2.502 ( 2.150 3.167 5.072) 6.354 2.616 ( 2.559 -0.162 5.879) 6.414 2.669 ( 8.291 4.766 6.295) 11.449 2.899 ( 2.373 8.415 4.848) 9.998 3.049 ( 6.800 -0.742 3.527) 7.696 3.171 ( 11.686 -1.526 0.743) 11.809 3.326 ( 7.015 2.003 5.401) 9.077 3.417 ( 6.376 0.115 -2.768) 6.952 3.573 ( -1.040 1.143 -4.076) 4.359 3.627 ( -0.056 -1.691 -3.550) 3.933 3.688 ( -5.006 -0.147 0.007) 5.008 3.955 ( 3.935 0.350 -3.816) 5.493 4.178 ( -1.598 -6.280 -2.315) 6.881 4.261 ( -1.166 -3.932 -5.955) 7.231 4.316 ( -1.951 -5.779 -3.642) 7.105 4.407 ( -0.847 -4.175 -4.909) 6.500 4.619 ( 1.588 -0.444 -4.072) 4.394 4.762 ( 4.159 -2.608 -2.577) 5.544 4.994 ( -0.969 -4.365 -2.275) 5.017 5.171 ( -1.027 -2.773 -7.634) 8.187 5.291 ( -0.097 3.472 -6.862) 7.692 5.339 ( -6.071 2.181 -1.949) 6.739 5.596 ( 0.775 1.154 -6.417) 6.566 5.707 ( 5.325 -1.039 -5.271) 7.565 5.892 ( -1.794 3.745 1.988) 4.604 6.018 ( -2.341 -2.218 -2.562) 4.119 6.184 ( -3.083 5.411 -0.097) 6.229 6.303 ( -1.379 1.362 0.751) 2.079 6.525 ( -3.143 4.859 6.716) 8.865 6.659 ( -3.802 -0.445 -2.026) 4.331 6.748 ( 2.223 1.322 -1.124) 2.820 6.971 ( 3.585 -2.494 -0.015) 4.367 7.038 ( -2.793 2.009 0.666) 3.504 7.173 ( 2.970 -3.373 -1.970) 4.907 7.481 ( -0.560 4.039 -3.816) 5.585 7.657 ( -0.259 -2.149 -0.828) 2.318 7.737 ( -1.376 -2.723 -0.600) 3.109 7.748 ( -1.341 -1.681 -1.670) 2.723 8.747 ( 1.006 2.921 11.178) 11.597 8.893 ( -4.618 3.068 2.772) 6.199 9.092 ( -1.967 -4.078 2.326) 5.090 9.209 ( -3.090 -0.917 8.241) 8.849 9.657 ( 2.980 1.518 4.109) 5.298 9.752 ( 1.530 1.040 1.041) 2.123 9.827 ( -0.529 -0.418 -1.231) 1.404 9.932 ( 3.351 -1.363 5.705) 6.755 10.246 ( -5.578 -8.324 2.478) 10.322 10.328 ( -1.353 -5.979 -1.823) 6.396 11.297 ( -3.122 13.262 -9.059) 16.361 11.791 ( -4.781 -3.067 -7.642) 9.522 13.921 ( -0.080 2.611 28.554) 28.673 14.379 ( -15.080 -10.858 25.878) 31.859 15.927 ( 2.450 1.355 -3.745) 4.676 16.052 ( 5.470 -2.251 -5.992) 8.420 19.877 ( -1.614 2.196 11.094) 11.424 20.193 ( -15.240 -4.854 12.443) 20.265 20.800 ( 10.228 -0.551 -2.753) 10.606 21.136 ( 21.573 -20.487 -5.014) 30.171 22.209 ( 0.386 0.218 0.566) 0.719 22.334 ( 1.209 -1.498 -1.266) 2.304 22.500 ( -1.101 7.568 -5.279) 9.292 22.643 ( -0.557 -0.292 -3.521) 3.577 23.689 ( -0.939 12.549 -3.771) 13.137 23.888 ( -3.233 9.711 -3.538) 10.829 24.079 ( -0.839 -4.917 -6.438) 8.144 24.305 ( -3.269 1.575 -8.897) 9.608 ======================= Grid point 79 (31/72) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 14.257 7.660 12.444) 20.416 1.592 ( 7.102 15.152 16.833) 23.735 1.940 ( 2.804 -7.244 -5.678) 9.622 2.270 ( 6.577 -7.337 4.146) 10.690 2.338 ( 4.366 -0.186 -0.316) 4.382 2.424 ( 2.749 -1.296 7.203) 7.818 2.552 ( 1.433 2.128 5.004) 5.623 2.655 ( 8.888 4.947 8.118) 13.014 2.889 ( 8.182 5.124 6.573) 11.679 2.996 ( 9.063 8.116 2.505) 12.421 3.221 ( 6.687 -1.725 1.335) 7.034 3.353 ( 6.548 -0.542 -3.290) 7.348 3.432 ( 0.032 -2.408 -1.368) 2.770 3.524 ( -1.358 0.023 -0.360) 1.405 3.607 ( 1.018 -1.547 0.236) 1.867 3.663 ( 9.771 -0.044 0.098) 9.771 3.730 ( 9.536 -0.170 -1.031) 9.593 3.931 ( -4.602 -0.653 -3.585) 5.871 4.148 ( -3.417 -1.711 -7.844) 8.725 4.236 ( -0.537 -3.318 -2.473) 4.174 4.305 ( -0.439 -3.599 -4.043) 5.431 4.374 ( -0.604 -3.348 -5.677) 6.618 4.666 ( 3.246 -3.162 3.492) 5.721 4.816 ( 1.557 -1.043 1.574) 2.447 4.979 ( -3.892 -5.082 -2.116) 6.742 5.160 ( 3.910 -3.106 -7.221) 8.779 5.239 ( -0.590 0.972 -1.583) 1.949 5.384 ( 5.038 1.922 -5.856) 7.960 5.571 ( -1.592 1.936 -1.917) 3.156 5.775 ( -1.019 0.190 -7.483) 7.554 5.894 ( 2.298 0.979 -4.973) 5.565 5.969 ( -1.131 -1.615 -1.297) 2.360 6.103 ( -5.179 5.783 0.214) 7.766 6.204 ( -7.009 3.729 2.789) 8.415 6.505 ( 0.706 -0.735 7.092) 7.165 6.564 ( -4.121 -2.421 2.007) 5.184 6.803 ( 2.711 3.353 -1.357) 4.520 6.937 ( -2.868 6.342 -0.344) 6.969 7.095 ( 4.397 -4.122 -2.733) 6.618 7.232 ( 2.386 -3.110 -2.113) 4.453 7.438 ( -3.574 2.368 -1.447) 4.525 7.637 ( -2.510 -1.188 0.197) 2.784 7.672 ( -4.198 -2.327 -0.595) 4.837 7.705 ( -2.794 -0.997 -0.148) 2.970 8.758 ( 0.049 1.026 7.877) 7.944 8.825 ( -1.703 2.720 4.691) 5.683 9.078 ( 0.997 -1.616 -0.766) 2.047 9.139 ( -3.081 -0.114 2.942) 4.261 9.681 ( -0.421 1.488 -3.601) 3.919 9.778 ( 0.305 -0.101 7.651) 7.657 9.813 ( -0.920 -0.032 5.958) 6.029 9.937 ( -4.575 0.876 8.076) 9.323 10.198 ( 2.990 -5.675 -0.890) 6.476 10.332 ( 2.001 -1.791 -4.621) 5.345 11.248 ( -0.895 7.262 -7.143) 10.225 11.648 ( -8.795 -3.373 -7.249) 11.886 13.923 ( 0.388 1.318 28.437) 28.470 14.118 ( -9.159 -3.603 29.299) 30.908 15.992 ( 3.468 0.780 -4.778) 5.955 16.121 ( 1.188 -2.417 -6.978) 7.480 19.848 ( -0.938 1.040 10.467) 10.560 19.975 ( -6.845 -1.421 12.427) 14.259 21.061 ( 14.036 0.330 -5.333) 15.019 21.455 ( 8.864 -14.730 -11.594) 20.735 22.229 ( 1.677 -0.394 0.981) 1.982 22.361 ( 0.924 -0.499 -1.650) 1.955 22.473 ( -1.077 3.612 -3.135) 4.902 22.619 ( -1.867 -0.489 -2.800) 3.400 23.672 ( -0.475 9.881 -2.030) 10.099 23.822 ( -2.930 7.149 -1.262) 7.828 24.057 ( -0.915 -3.995 -6.056) 7.312 24.220 ( -4.561 -0.092 -7.194) 8.518 ======================= Grid point 80 (32/72) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 15.884 8.558 3.368) 18.355 1.752 ( 7.742 12.011 9.404) 17.107 1.945 ( -1.890 -0.934 -2.202) 3.048 2.130 ( -12.234 4.281 -3.889) 13.532 2.403 ( -1.178 -0.949 8.958) 9.085 2.415 ( -0.603 -1.766 1.190) 2.213 2.742 ( 12.228 -5.055 4.987) 14.140 2.886 ( 9.774 -0.555 5.218) 11.093 3.009 ( 3.807 4.073 3.636) 6.656 3.139 ( -7.622 -1.572 1.004) 7.847 3.214 ( 5.110 1.428 -0.952) 5.391 3.440 ( -1.313 1.535 -0.059) 2.021 3.461 ( 0.641 -3.195 -0.167) 3.263 3.554 ( 5.227 -0.275 -1.328) 5.400 3.603 ( 1.437 0.828 -2.312) 2.845 3.775 ( -2.791 -0.928 -0.850) 3.062 3.856 ( 6.358 0.370 -4.094) 7.571 3.973 ( 7.223 -3.312 -5.552) 9.693 4.030 ( -6.112 -1.048 -7.987) 10.111 4.156 ( -7.018 -4.295 -4.031) 9.162 4.301 ( 0.773 0.553 -4.090) 4.199 4.388 ( -1.055 2.319 -2.248) 3.398 4.710 ( 1.424 -5.966 -3.972) 7.307 4.830 ( 0.144 -0.334 -7.105) 7.114 5.014 ( 6.418 -5.164 9.065) 12.248 5.172 ( -1.129 1.503 2.823) 3.391 5.323 ( 3.791 -2.893 3.297) 5.797 5.417 ( -0.488 0.595 -1.942) 2.089 5.600 ( 0.494 0.041 -6.462) 6.481 5.712 ( -0.570 -1.312 -2.789) 3.135 5.902 ( -2.629 3.637 -8.625) 9.723 5.956 ( -2.439 -1.422 -6.000) 6.631 6.016 ( 0.266 2.898 2.934) 4.132 6.099 ( -2.579 5.022 1.673) 5.889 6.496 ( -0.379 -3.277 7.057) 7.790 6.542 ( 0.295 -1.974 6.665) 6.958 6.852 ( 1.913 4.792 -1.538) 5.384 6.893 ( -1.574 7.079 -0.863) 7.303 7.162 ( 1.725 -5.584 -3.020) 6.578 7.254 ( -0.496 -2.996 -1.515) 3.394 7.394 ( 1.153 0.755 0.534) 1.478 7.531 ( -5.884 1.024 1.988) 6.294 7.614 ( -1.371 -2.231 -2.184) 3.410 7.654 ( -1.828 -0.032 -0.574) 1.916 8.762 ( 0.403 0.530 7.269) 7.300 8.808 ( -0.465 2.519 7.503) 7.928 9.089 ( -0.126 -0.406 -6.847) 6.860 9.119 ( 0.611 0.416 -5.192) 5.245 9.679 ( 0.699 -0.406 5.176) 5.238 9.765 ( -1.053 -0.861 7.677) 7.797 9.789 ( -0.940 0.492 7.543) 7.617 9.823 ( -4.275 0.878 3.690) 5.715 10.301 ( 4.809 -0.591 -2.723) 5.558 10.369 ( 0.316 1.035 -3.749) 3.902 11.288 ( 5.123 0.774 -6.753) 8.512 11.451 ( -9.561 -2.529 -6.885) 12.050 13.938 ( 1.060 -0.074 28.580) 28.599 13.994 ( -3.352 -0.510 28.861) 29.059 16.058 ( 2.637 -0.457 -5.822) 6.407 16.115 ( -1.308 -0.905 -6.430) 6.624 19.842 ( 0.342 0.098 10.415) 10.421 19.882 ( -2.505 0.112 11.039) 11.320 21.335 ( 11.475 -1.217 -8.922) 14.586 21.504 ( -3.490 -6.036 -11.923) 13.812 22.281 ( 3.188 -0.432 0.056) 3.218 22.345 ( -2.497 1.030 -1.648) 3.164 22.479 ( 1.338 -2.110 -1.097) 2.729 22.573 ( -2.136 -0.183 -1.764) 2.777 23.672 ( 0.366 6.121 -1.233) 6.255 23.772 ( -1.575 7.788 -0.580) 7.967 24.055 ( 0.720 -3.802 -5.760) 6.939 24.136 ( -3.056 -1.043 -5.625) 6.486 ======================= Grid point 84 (33/72) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 4.664 17.923) 18.520 1.436 ( 0.000 4.497 19.701) 20.208 1.661 ( 0.000 -4.601 11.781) 12.647 1.739 ( 0.000 -11.338 8.244) 14.019 2.280 ( 0.000 2.677 3.820) 4.665 2.327 ( 0.000 -3.045 5.471) 6.261 2.518 ( 0.000 19.851 18.054) 26.833 2.612 ( 0.000 0.183 2.243) 2.250 2.645 ( 0.000 7.111 9.323) 11.726 2.917 ( 0.000 -9.818 6.096) 11.556 2.971 ( 0.000 1.376 3.562) 3.818 2.985 ( 0.000 -0.459 2.411) 2.455 3.360 ( 0.000 5.233 4.613) 6.976 3.427 ( 0.000 3.367 -0.035) 3.367 3.518 ( 0.000 -2.054 -2.741) 3.425 3.613 ( 0.000 -3.814 -4.072) 5.579 3.813 ( 0.000 0.328 1.987) 2.014 3.869 ( 0.000 -3.978 1.692) 4.323 4.002 ( 0.000 3.682 0.812) 3.770 4.201 ( 0.000 -11.550 -4.468) 12.384 4.267 ( 0.000 -1.073 -2.546) 2.763 4.291 ( 0.000 -3.303 -3.481) 4.799 4.664 ( 0.000 -0.158 -6.709) 6.711 4.670 ( 0.000 1.061 -9.660) 9.718 4.997 ( 0.000 3.241 -4.631) 5.653 5.101 ( 0.000 -5.726 -7.407) 9.362 5.368 ( 0.000 0.470 -7.491) 7.505 5.381 ( 0.000 -1.016 -6.498) 6.577 5.630 ( 0.000 1.217 -4.648) 4.804 5.632 ( 0.000 1.412 -5.888) 6.055 5.985 ( 0.000 1.896 -1.150) 2.218 6.011 ( 0.000 -1.271 -4.290) 4.474 6.316 ( 0.000 2.049 4.094) 4.578 6.320 ( 0.000 2.682 3.461) 4.379 6.707 ( 0.000 3.909 3.620) 5.328 6.723 ( 0.000 0.400 -2.123) 2.161 6.735 ( 0.000 3.093 -3.102) 4.380 6.826 ( 0.000 -4.733 -0.211) 4.738 7.083 ( 0.000 -1.050 1.662) 1.966 7.084 ( 0.000 -1.400 -0.927) 1.679 7.549 ( 0.000 2.358 -3.659) 4.353 7.596 ( 0.000 -3.393 -2.791) 4.394 7.717 ( 0.000 0.458 -1.326) 1.403 7.736 ( 0.000 -1.336 -1.688) 2.153 8.849 ( 0.000 8.012 12.493) 14.842 9.000 ( 0.000 -7.197 7.049) 10.074 9.042 ( 0.000 5.229 3.145) 6.102 9.159 ( 0.000 -6.930 8.543) 11.000 9.663 ( 0.000 3.165 8.885) 9.432 9.711 ( 0.000 -1.309 1.007) 1.651 9.825 ( 0.000 -0.544 -3.086) 3.134 9.836 ( 0.000 -2.322 0.469) 2.369 10.214 ( 0.000 -1.336 5.673) 5.829 10.248 ( 0.000 -3.692 1.580) 4.016 11.593 ( 0.000 11.200 -11.772) 16.249 11.756 ( 0.000 -6.423 -9.779) 11.699 14.026 ( 0.000 8.303 29.092) 30.254 14.248 ( 0.000 -15.625 27.758) 31.854 15.935 ( 0.000 1.186 -3.736) 3.920 15.952 ( 0.000 -0.639 -3.224) 3.286 19.994 ( 0.000 7.792 13.682) 15.746 20.217 ( 0.000 -17.112 16.042) 23.455 20.610 ( 0.000 2.228 0.014) 2.229 20.655 ( 0.000 -2.402 -0.703) 2.503 22.235 ( 0.000 2.247 -0.611) 2.328 22.281 ( 0.000 -2.454 -1.055) 2.672 22.607 ( 0.000 2.703 -4.801) 5.510 22.639 ( 0.000 -0.923 -3.952) 4.058 23.851 ( 0.000 6.036 -3.456) 6.956 23.966 ( 0.000 -6.400 -4.295) 7.708 24.210 ( 0.000 12.308 -14.559) 19.064 24.345 ( 0.000 -2.718 -12.766) 13.052 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.414 11.275 17.455) 20.828 1.586 ( 6.543 -7.228 11.138) 14.803 1.706 ( 4.496 0.684 9.870) 10.867 1.839 ( 12.187 -8.701 7.459) 16.729 2.279 ( 0.346 0.733 4.343) 4.418 2.484 ( 5.238 8.752 9.371) 13.851 2.525 ( 4.062 5.374 2.971) 7.363 2.640 ( 5.993 0.018 3.512) 6.946 2.778 ( 6.798 4.946 6.585) 10.679 2.998 ( 7.887 -1.321 10.225) 12.980 3.038 ( 5.924 3.291 1.379) 6.915 3.115 ( 11.182 -4.017 1.710) 12.005 3.382 ( 2.988 3.149 4.424) 6.198 3.449 ( 2.268 0.075 1.365) 2.648 3.513 ( 0.067 -0.265 -0.709) 0.760 3.591 ( -1.838 -3.995 -1.188) 4.556 3.776 ( -0.837 6.246 -0.419) 6.316 3.893 ( 1.553 -7.394 -0.045) 7.556 4.076 ( 4.273 0.830 -0.480) 4.379 4.176 ( -2.668 -6.361 -4.045) 7.996 4.221 ( -1.370 -2.718 -2.455) 3.911 4.323 ( 0.927 -3.332 -2.915) 4.523 4.618 ( -1.524 1.262 -6.438) 6.735 4.720 ( 1.965 -3.022 -3.972) 5.364 4.978 ( 0.198 3.536 -5.344) 6.411 5.090 ( -1.338 -5.590 -7.265) 9.264 5.339 ( 0.323 1.325 -5.770) 5.929 5.363 ( -5.166 0.486 -4.440) 6.829 5.635 ( 1.271 2.637 -6.989) 7.578 5.679 ( 3.768 -1.922 -6.920) 8.110 5.948 ( -2.267 1.884 -2.600) 3.931 5.987 ( -2.551 -1.348 -2.379) 3.740 6.280 ( -1.893 4.503 3.211) 5.846 6.339 ( 0.157 1.015 3.359) 3.512 6.603 ( -7.719 1.571 3.577) 8.651 6.644 ( -6.003 0.202 0.585) 6.035 6.792 ( 3.604 3.032 -3.117) 5.647 6.900 ( 5.003 -4.293 -1.972) 6.881 7.074 ( -0.351 1.801 -0.387) 1.876 7.114 ( 2.320 -2.686 -1.285) 3.774 7.546 ( -1.150 2.315 -4.542) 5.226 7.607 ( 0.918 -2.272 -1.282) 2.765 7.703 ( -1.431 -0.595 0.273) 1.574 7.721 ( -1.537 -1.025 -0.727) 1.986 8.820 ( -2.388 3.852 8.258) 9.420 8.955 ( -5.047 2.705 6.957) 9.010 9.016 ( 0.741 -3.429 5.027) 6.130 9.153 ( -1.183 -3.514 7.527) 8.391 9.708 ( 4.071 3.143 4.134) 6.599 9.780 ( 0.862 1.972 0.501) 2.210 9.814 ( -0.804 -0.925 -0.657) 1.391 9.872 ( 6.429 -4.503 4.931) 9.270 10.148 ( -4.862 -0.828 4.129) 6.432 10.237 ( -0.841 -3.862 0.136) 3.955 11.530 ( -5.494 10.573 -10.278) 15.736 11.702 ( -5.135 -6.394 -9.164) 12.297 14.001 ( -2.030 6.246 29.074) 29.807 14.163 ( -6.595 -10.671 28.781) 31.396 15.959 ( 2.407 1.893 -4.037) 5.067 16.006 ( 3.810 -2.318 -4.612) 6.416 19.941 ( -3.876 4.490 12.596) 13.923 20.073 ( -8.367 -6.820 13.910) 17.607 20.797 ( 12.753 0.678 -2.143) 12.949 20.872 ( 17.740 -7.396 -1.338) 19.267 22.237 ( 0.323 2.122 -0.502) 2.204 22.294 ( 1.208 -2.333 -0.790) 2.743 22.584 ( -2.191 2.067 -4.302) 5.251 22.635 ( -0.533 -0.473 -3.983) 4.046 23.841 ( -0.922 6.029 -3.350) 6.959 23.952 ( -1.262 -5.532 -3.952) 6.915 24.154 ( -4.839 11.337 -11.780) 17.050 24.295 ( -4.536 -3.396 -11.190) 12.543 ======================= Grid point 86 (35/72) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 13.844 11.868 6.693) 19.425 1.744 ( 10.136 -8.626 1.068) 13.353 1.876 ( 8.563 10.079 12.673) 18.317 2.092 ( 9.244 -11.472 5.272) 15.648 2.278 ( 1.121 -1.806 1.257) 2.469 2.460 ( -2.851 1.721 4.128) 5.303 2.680 ( 4.368 8.747 1.978) 9.975 2.759 ( 6.419 4.157 4.529) 8.889 2.976 ( 9.769 3.080 4.403) 11.149 3.111 ( 5.692 2.234 -0.471) 6.133 3.162 ( 2.747 -2.405 2.000) 4.163 3.304 ( 4.275 -3.526 -0.544) 5.568 3.428 ( 0.364 0.820 1.935) 2.133 3.493 ( 1.171 -2.601 2.669) 3.907 3.569 ( 5.763 -1.271 3.321) 6.772 3.646 ( 6.328 -0.627 0.293) 6.366 3.799 ( 2.856 5.531 -3.127) 6.966 3.910 ( -0.263 -2.059 -5.158) 5.560 4.109 ( -1.449 -1.227 -5.801) 6.104 4.151 ( 0.408 -5.113 -2.588) 5.745 4.234 ( 3.095 -2.528 -1.406) 4.236 4.305 ( -1.116 -2.510 -2.609) 3.788 4.653 ( 5.356 1.691 2.947) 6.343 4.767 ( 3.326 -3.810 5.096) 7.179 4.948 ( -6.117 1.517 -5.324) 8.251 5.056 ( -1.518 -5.035 -5.868) 7.880 5.294 ( 3.083 2.663 -5.537) 6.874 5.389 ( 2.609 -0.978 -6.153) 6.754 5.609 ( -1.963 1.553 -3.191) 4.055 5.765 ( 0.248 -0.883 -7.745) 7.799 5.909 ( -0.663 0.846 -2.098) 2.357 5.945 ( -0.514 -1.186 -6.009) 6.147 6.233 ( -3.566 6.020 0.849) 7.048 6.295 ( -4.504 5.459 4.559) 8.419 6.463 ( -4.725 -4.714 5.635) 8.735 6.514 ( -4.715 -1.664 4.797) 6.929 6.874 ( 4.045 3.496 -3.268) 6.266 6.987 ( 3.072 -3.302 -4.631) 6.464 7.070 ( -0.130 3.952 -2.652) 4.761 7.166 ( 2.238 -3.511 -1.033) 4.289 7.474 ( -5.285 1.149 -1.723) 5.676 7.608 ( -1.268 -1.198 0.127) 1.749 7.650 ( -4.388 -0.159 1.376) 4.601 7.684 ( -1.267 -0.932 -0.472) 1.642 8.779 ( -1.178 0.857 5.189) 5.389 8.873 ( -2.328 1.756 7.133) 7.706 9.057 ( 2.951 -0.492 1.975) 3.585 9.118 ( -1.907 -1.463 2.260) 3.299 9.721 ( -1.730 2.488 -2.066) 3.668 9.763 ( -2.175 -1.651 1.130) 2.956 9.830 ( 0.852 1.927 11.661) 11.850 9.928 ( -4.248 -2.110 8.598) 9.820 10.153 ( 7.488 1.142 -2.547) 7.991 10.264 ( 4.391 -4.227 -3.643) 7.101 11.401 ( -6.103 8.108 -7.951) 12.892 11.557 ( -8.390 -6.064 -7.793) 12.957 13.960 ( -1.676 2.544 28.936) 29.095 14.041 ( -4.458 -3.897 29.056) 29.653 16.014 ( 2.465 1.373 -5.113) 5.840 16.072 ( 2.254 -2.300 -5.633) 6.488 19.873 ( -2.348 1.351 11.358) 11.677 19.942 ( -4.388 -1.628 12.125) 12.997 21.089 ( 14.050 3.082 -5.423) 15.372 21.212 ( 13.644 -9.673 -6.612) 17.984 22.252 ( 1.217 2.038 0.002) 2.373 22.325 ( 1.617 -2.342 -0.330) 2.865 22.520 ( -3.811 1.218 -3.232) 5.143 22.611 ( -1.893 -0.317 -3.252) 3.776 23.819 ( -0.970 6.375 -3.128) 7.167 23.925 ( -1.069 -2.862 -3.062) 4.325 24.046 ( -4.942 7.012 -7.544) 11.424 24.184 ( -5.491 -3.986 -7.993) 10.485 ======================= Grid point 87 (36/72) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 12.283 4.197 0.634) 12.996 1.933 ( 3.764 6.295 4.801) 8.766 2.007 ( 6.467 5.540 6.613) 10.781 2.154 ( -2.416 -0.194 2.974) 3.837 2.326 ( 1.235 -6.995 2.274) 7.459 2.406 ( -2.010 1.033 -4.849) 5.350 2.727 ( 3.380 2.992 4.611) 6.453 2.901 ( 3.829 -0.812 5.424) 6.689 3.025 ( -5.197 0.647 2.176) 5.671 3.129 ( 3.189 1.749 0.863) 3.738 3.268 ( 1.809 1.876 -1.089) 2.825 3.339 ( -2.440 -6.911 1.126) 7.415 3.451 ( 7.468 -0.553 0.595) 7.512 3.589 ( 3.401 2.292 2.179) 4.644 3.621 ( -2.712 1.233 -1.424) 3.302 3.732 ( 6.147 -3.066 -1.060) 6.950 3.872 ( 0.518 1.360 -3.630) 3.910 3.925 ( 4.284 -1.803 -5.322) 7.066 4.016 ( -5.996 0.505 -7.913) 9.941 4.069 ( -6.772 -4.207 -4.469) 9.140 4.339 ( 5.944 3.489 -3.740) 7.841 4.406 ( 7.414 -1.896 -5.358) 9.342 4.631 ( -9.582 -0.926 0.109) 9.628 4.782 ( -3.991 -3.981 -5.895) 8.156 4.948 ( 12.125 -1.288 5.959) 13.571 5.175 ( 11.421 -0.968 5.780) 12.837 5.273 ( -8.664 -0.923 3.901) 9.547 5.425 ( -0.462 -0.102 -2.246) 2.295 5.633 ( -0.907 2.535 -3.799) 4.656 5.675 ( -0.098 -1.943 -2.659) 3.295 5.920 ( -2.049 -1.527 -10.605) 10.909 5.927 ( -0.452 -0.244 -11.117) 11.129 6.143 ( -2.345 7.503 3.012) 8.418 6.233 ( -1.325 8.578 5.176) 10.106 6.400 ( -1.138 -7.117 6.905) 9.981 6.471 ( -0.708 -4.541 6.747) 8.164 6.949 ( 2.855 4.982 -2.703) 6.346 7.025 ( 0.213 4.138 -4.829) 6.363 7.065 ( 0.070 -2.715 -3.943) 4.788 7.175 ( -1.318 -4.645 -0.166) 4.831 7.404 ( -0.502 0.179 -0.481) 0.718 7.546 ( -3.365 0.387 3.668) 4.993 7.584 ( -1.398 -0.711 -0.824) 1.772 7.653 ( -1.481 0.005 -0.897) 1.731 8.771 ( 0.122 0.318 6.883) 6.892 8.850 ( -0.352 1.457 8.806) 8.932 9.080 ( -0.996 -0.439 -6.991) 7.075 9.124 ( 2.285 0.116 -4.503) 5.051 9.675 ( -2.228 0.011 7.387) 7.716 9.747 ( 1.413 -0.754 4.744) 5.007 9.802 ( -2.781 0.633 8.375) 8.847 9.834 ( -2.916 0.256 3.417) 4.499 10.313 ( 5.757 1.451 -3.428) 6.856 10.365 ( 3.194 -1.124 -3.906) 5.169 11.317 ( -1.180 2.234 -6.739) 7.197 11.392 ( -6.445 -3.272 -6.764) 9.899 13.937 ( -0.600 -0.057 28.830) 28.837 13.985 ( -1.162 -0.300 28.501) 28.526 16.050 ( 0.935 -0.281 -5.858) 5.939 16.100 ( 0.548 -0.543 -5.800) 5.851 19.844 ( -0.614 0.061 10.762) 10.780 19.884 ( -1.355 0.071 10.992) 11.075 21.323 ( 7.401 0.285 -8.986) 11.645 21.394 ( 3.653 -4.439 -9.878) 11.429 22.291 ( 2.335 0.961 0.457) 2.566 22.346 ( -0.215 -0.560 0.011) 0.600 22.446 ( -2.413 -1.028 -1.860) 3.216 22.568 ( -1.643 -0.188 -1.926) 2.539 23.807 ( -0.233 7.215 -3.079) 7.848 23.912 ( -0.321 3.658 -1.818) 4.097 23.973 ( -1.726 -2.767 -6.131) 6.945 24.094 ( -2.679 -3.064 -5.589) 6.914 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 0.000 5.259) 5.259 1.753 ( 0.000 0.000 25.828) 25.828 1.973 ( 0.000 0.000 1.229) 1.229 2.090 ( 0.000 0.000 9.027) 9.027 2.367 ( 0.000 0.000 5.883) 5.883 2.483 ( 0.000 0.000 -2.571) 2.571 2.650 ( 0.000 0.000 19.269) 19.269 2.804 ( 0.000 0.000 3.030) 3.030 2.819 ( 0.000 0.000 15.088) 15.088 2.838 ( 0.000 0.000 11.895) 11.895 3.025 ( 0.000 0.000 3.718) 3.718 3.184 ( 0.000 0.000 6.804) 6.804 3.303 ( 0.000 0.000 0.152) 0.152 3.385 ( 0.000 0.000 10.958) 10.958 3.393 ( 0.000 0.000 -5.055) 5.055 3.628 ( 0.000 0.000 -1.206) 1.206 3.684 ( 0.000 0.000 -1.162) 1.162 3.741 ( 0.000 0.000 -5.592) 5.592 4.119 ( 0.000 0.000 -8.437) 8.437 4.223 ( 0.000 0.000 -1.880) 1.880 4.363 ( 0.000 0.000 -4.223) 4.223 4.377 ( 0.000 0.000 -1.109) 1.109 4.431 ( 0.000 0.000 -3.713) 3.713 4.701 ( 0.000 0.000 -5.789) 5.789 5.007 ( 0.000 0.000 -6.376) 6.376 5.035 ( 0.000 0.000 -3.945) 3.945 5.101 ( 0.000 0.000 -10.599) 10.599 5.345 ( 0.000 0.000 -4.916) 4.916 5.417 ( 0.000 0.000 -2.491) 2.491 5.593 ( 0.000 0.000 -0.956) 0.956 5.976 ( 0.000 0.000 -0.332) 0.332 6.019 ( 0.000 0.000 -3.651) 3.651 6.153 ( 0.000 0.000 3.260) 3.260 6.292 ( 0.000 0.000 -2.010) 2.010 6.545 ( 0.000 0.000 0.043) 0.043 6.555 ( 0.000 0.000 -7.497) 7.497 6.815 ( 0.000 0.000 4.319) 4.319 6.943 ( 0.000 0.000 0.190) 0.190 7.144 ( 0.000 0.000 0.252) 0.252 7.165 ( 0.000 0.000 2.145) 2.145 7.375 ( 0.000 0.000 0.294) 0.294 7.691 ( 0.000 0.000 0.895) 0.895 7.714 ( 0.000 0.000 -0.911) 0.911 7.740 ( 0.000 0.000 -3.447) 3.447 8.917 ( 0.000 0.000 8.910) 8.910 8.994 ( 0.000 0.000 4.343) 4.343 9.277 ( 0.000 0.000 0.415) 0.415 9.280 ( 0.000 0.000 3.556) 3.556 9.581 ( 0.000 0.000 -6.578) 6.578 9.787 ( 0.000 0.000 -1.763) 1.763 9.787 ( 0.000 0.000 5.532) 5.532 10.095 ( 0.000 0.000 4.028) 4.028 10.309 ( 0.000 0.000 -0.226) 0.226 10.506 ( 0.000 0.000 4.245) 4.245 10.981 ( 0.000 0.000 -8.084) 8.084 11.682 ( 0.000 0.000 -10.504) 10.504 14.501 ( 0.000 0.000 28.084) 28.084 15.045 ( 0.000 0.000 12.591) 12.591 15.797 ( 0.000 0.000 -5.121) 5.121 15.882 ( 0.000 0.000 -5.147) 5.147 20.105 ( 0.000 0.000 10.857) 10.857 20.593 ( 0.000 0.000 2.143) 2.143 20.645 ( 0.000 0.000 -3.152) 3.152 20.981 ( 0.000 0.000 -5.445) 5.445 22.280 ( 0.000 0.000 1.806) 1.806 22.280 ( 0.000 0.000 -1.111) 1.111 22.311 ( 0.000 0.000 -1.149) 1.149 22.565 ( 0.000 0.000 -4.249) 4.249 23.563 ( 0.000 0.000 4.139) 4.139 23.804 ( 0.000 0.000 -1.293) 1.293 24.000 ( 0.000 0.000 -7.093) 7.093 24.130 ( 0.000 0.000 -8.461) 8.461 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 2.816 0.000 10.700) 11.064 1.760 ( 0.801 0.000 23.506) 23.519 1.931 ( -5.531 0.000 8.169) 9.866 2.206 ( 14.206 0.000 2.673) 14.456 2.323 ( -3.030 0.000 2.110) 3.692 2.515 ( 1.752 0.000 1.871) 2.563 2.634 ( 2.625 0.000 8.334) 8.738 2.718 ( -3.570 0.000 11.773) 12.302 2.913 ( 3.984 0.000 6.707) 7.801 2.939 ( 3.968 0.000 9.863) 10.631 3.076 ( 5.651 0.000 -0.253) 5.657 3.191 ( 2.697 0.000 0.667) 2.778 3.286 ( 1.536 0.000 -0.149) 1.543 3.440 ( 2.757 0.000 -5.241) 5.922 3.559 ( 8.274 0.000 7.683) 11.291 3.589 ( -3.302 0.000 -2.444) 4.108 3.698 ( 7.470 0.000 7.413) 10.524 3.862 ( 5.967 0.000 -3.014) 6.685 4.069 ( -4.315 0.000 -8.454) 9.492 4.243 ( 1.675 0.000 -0.877) 1.891 4.311 ( -3.938 0.000 -4.784) 6.197 4.320 ( -3.068 0.000 -2.145) 3.744 4.556 ( 8.945 0.000 -2.899) 9.403 4.760 ( 4.543 0.000 -5.224) 6.923 4.904 ( -5.118 0.000 -8.961) 10.320 5.077 ( 2.832 0.000 -4.252) 5.108 5.144 ( 3.966 0.000 -4.360) 5.894 5.290 ( -8.015 0.000 -0.748) 8.050 5.429 ( 4.856 0.000 -6.051) 7.759 5.640 ( 1.906 0.000 -2.335) 3.014 5.890 ( -6.652 0.000 -1.068) 6.737 6.013 ( -0.665 0.000 -3.069) 3.141 6.145 ( -1.362 0.000 3.724) 3.965 6.271 ( -2.114 0.000 -0.450) 2.161 6.554 ( 1.898 0.000 -0.384) 1.936 6.562 ( 0.608 0.000 -5.920) 5.951 6.816 ( 0.675 0.000 5.265) 5.308 7.019 ( 5.448 0.000 0.077) 5.448 7.042 ( -7.448 0.000 2.338) 7.807 7.176 ( 0.260 0.000 -1.296) 1.322 7.381 ( 0.532 0.000 -0.135) 0.549 7.687 ( 0.095 0.000 0.843) 0.848 7.722 ( -1.752 0.000 -3.180) 3.631 7.741 ( 0.712 0.000 -0.510) 0.875 8.916 ( -6.039 0.000 3.661) 7.062 8.924 ( 0.059 0.000 7.515) 7.516 9.214 ( -5.532 0.000 2.846) 6.221 9.253 ( -3.363 0.000 -0.365) 3.383 9.570 ( 0.458 0.000 -4.194) 4.219 9.796 ( 1.032 0.000 -0.954) 1.406 9.884 ( 7.442 0.000 5.347) 9.164 10.113 ( 1.720 0.000 3.100) 3.545 10.264 ( -3.815 0.000 -0.770) 3.892 10.429 ( -6.782 0.000 6.054) 9.090 10.984 ( 0.392 0.000 -8.357) 8.366 11.635 ( -4.596 0.000 -10.552) 11.509 14.503 ( 0.258 0.000 28.014) 28.015 14.915 ( -10.174 0.000 17.795) 20.498 15.818 ( 1.830 0.000 -5.630) 5.920 15.930 ( 3.177 0.000 -7.327) 7.987 20.088 ( -1.289 0.000 10.981) 11.056 20.424 ( -10.875 0.000 7.518) 13.221 20.728 ( 7.492 0.000 -4.443) 8.710 21.145 ( 9.997 0.000 -11.632) 15.337 22.272 ( -0.166 0.000 -0.716) 0.735 22.289 ( 0.766 0.000 1.766) 1.925 22.345 ( 2.590 0.000 -1.395) 2.942 22.567 ( 0.034 0.000 -4.043) 4.043 23.571 ( 0.802 0.000 3.847) 3.930 23.788 ( -1.462 0.000 -1.029) 1.787 23.989 ( -0.973 0.000 -6.718) 6.788 24.113 ( -1.657 0.000 -8.116) 8.284 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.272 0.000 21.161) 21.199 1.790 ( 2.099 0.000 17.664) 17.789 1.891 ( 1.029 0.000 -1.521) 1.837 2.235 ( -6.543 0.000 -0.670) 6.577 2.528 ( 12.671 0.000 4.836) 13.562 2.547 ( 1.879 0.000 6.692) 6.951 2.726 ( 4.856 0.000 7.486) 8.923 2.780 ( 10.815 0.000 4.978) 11.906 2.943 ( 1.470 0.000 1.892) 2.396 2.984 ( 1.029 0.000 4.390) 4.509 3.204 ( 5.918 0.000 -7.924) 9.890 3.293 ( 5.145 0.000 -1.041) 5.250 3.385 ( 8.316 0.000 1.134) 8.393 3.439 ( -2.245 0.000 -4.436) 4.971 3.580 ( -0.040 0.000 -2.473) 2.474 3.706 ( 7.670 0.000 1.084) 7.747 3.793 ( -1.360 0.000 4.258) 4.469 3.886 ( -5.207 0.000 -4.714) 7.024 3.995 ( -2.198 0.000 -5.140) 5.590 4.193 ( -4.741 0.000 -4.295) 6.397 4.249 ( -2.518 0.000 -0.842) 2.655 4.342 ( 5.940 0.000 -3.006) 6.657 4.735 ( 5.810 0.000 2.805) 6.452 4.746 ( -9.356 0.000 -7.001) 11.685 4.939 ( 8.539 0.000 -10.147) 13.262 5.129 ( 6.400 0.000 2.487) 6.866 5.247 ( 2.087 0.000 -2.347) 3.140 5.258 ( 6.903 0.000 -0.364) 6.912 5.488 ( 1.340 0.000 -3.578) 3.821 5.646 ( -0.782 0.000 -3.703) 3.784 5.758 ( -4.942 0.000 -4.927) 6.979 5.981 ( -2.922 0.000 -1.719) 3.390 6.123 ( -0.074 0.000 5.866) 5.866 6.204 ( -4.220 0.000 2.643) 4.980 6.585 ( 1.936 0.000 -2.067) 2.832 6.625 ( 4.013 0.000 1.461) 4.271 6.831 ( 0.402 0.000 5.585) 5.600 6.898 ( -5.407 0.000 3.341) 6.356 7.125 ( 4.707 0.000 -0.708) 4.760 7.194 ( 1.585 0.000 -3.691) 4.017 7.390 ( 0.309 0.000 0.305) 0.434 7.671 ( -2.984 0.000 -2.505) 3.896 7.672 ( -2.218 0.000 1.109) 2.479 7.706 ( -4.186 0.000 0.200) 4.191 8.810 ( -3.039 0.000 0.846) 3.154 8.895 ( -2.629 0.000 3.842) 4.655 9.093 ( -5.845 0.000 -1.344) 5.997 9.128 ( -7.906 0.000 -2.148) 8.192 9.628 ( 5.253 0.000 1.069) 5.360 9.826 ( 1.574 0.000 0.707) 1.725 10.012 ( 2.465 0.000 10.016) 10.315 10.158 ( 1.618 0.000 5.085) 5.336 10.204 ( 0.123 0.000 -4.831) 4.832 10.265 ( -7.574 0.000 5.236) 9.207 11.008 ( 2.446 0.000 -9.122) 9.444 11.496 ( -8.675 0.000 -10.523) 13.638 14.514 ( 0.784 0.000 27.802) 27.813 14.715 ( -8.073 0.000 23.999) 25.320 15.865 ( 2.602 0.000 -6.786) 7.267 15.972 ( 0.628 0.000 -8.972) 8.994 20.068 ( -0.418 0.000 11.389) 11.396 20.235 ( -7.146 0.000 11.195) 13.282 20.920 ( 10.351 0.000 -7.834) 12.982 21.284 ( 2.943 0.000 -15.719) 15.992 22.279 ( 0.805 0.000 -0.098) 0.810 22.306 ( 0.690 0.000 1.525) 1.674 22.406 ( 3.145 0.000 -1.655) 3.554 22.560 ( -0.893 0.000 -3.452) 3.566 23.596 ( 1.636 0.000 3.023) 3.437 23.747 ( -2.450 0.000 -0.400) 2.483 23.970 ( -0.560 0.000 -5.939) 5.965 24.067 ( -2.625 0.000 -7.249) 7.709 ======================= Grid point 108 (40/72) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 6.558 0.000 13.580) 15.081 1.834 ( 1.470 0.000 10.277) 10.381 1.916 ( 1.859 0.000 0.696) 1.985 2.054 ( -10.012 0.000 3.041) 10.463 2.582 ( 1.655 0.000 8.896) 9.049 2.621 ( -1.243 0.000 10.871) 10.942 2.913 ( 10.668 0.000 1.629) 10.792 2.966 ( 3.309 0.000 1.125) 3.496 3.012 ( 2.728 0.000 2.398) 3.632 3.063 ( 7.757 0.000 -2.252) 8.077 3.263 ( -1.157 0.000 -1.925) 2.246 3.358 ( -6.182 0.000 -4.002) 7.364 3.432 ( 8.252 0.000 -4.233) 9.275 3.517 ( 3.812 0.000 -2.154) 4.379 3.526 ( -4.231 0.000 -2.111) 4.728 3.716 ( -10.684 0.000 -4.356) 11.538 3.783 ( 6.069 0.000 -2.639) 6.617 3.891 ( 10.147 0.000 -4.862) 11.251 3.914 ( -5.277 0.000 -5.386) 7.541 4.094 ( -6.778 0.000 -5.398) 8.665 4.254 ( 2.724 0.000 0.198) 2.731 4.376 ( -7.737 0.000 -2.175) 8.037 4.612 ( 4.782 0.000 -4.838) 6.802 4.749 ( -4.468 0.000 -1.766) 4.804 5.121 ( 7.446 0.000 -5.541) 9.282 5.232 ( -2.428 0.000 -1.325) 2.766 5.309 ( 5.862 0.000 -1.074) 5.959 5.366 ( 0.929 0.000 1.759) 1.990 5.554 ( 5.848 0.000 -0.965) 5.927 5.628 ( -1.187 0.000 -1.157) 1.657 5.741 ( 3.887 0.000 -6.204) 7.321 5.877 ( -7.090 0.000 -2.127) 7.402 6.123 ( -0.554 0.000 8.369) 8.388 6.127 ( -2.148 0.000 5.862) 6.244 6.646 ( 3.445 0.000 1.795) 3.885 6.681 ( 0.755 0.000 3.221) 3.308 6.830 ( -0.370 0.000 4.463) 4.479 6.833 ( -1.200 0.000 3.944) 4.122 7.209 ( 2.787 0.000 -1.680) 3.254 7.226 ( 0.889 0.000 -3.050) 3.177 7.420 ( 3.863 0.000 2.195) 4.443 7.555 ( -7.952 0.000 2.155) 8.238 7.616 ( -1.663 0.000 -1.800) 2.451 7.628 ( -2.674 0.000 -0.379) 2.701 8.812 ( 2.778 0.000 -1.636) 3.224 8.856 ( -0.807 0.000 1.371) 1.591 8.974 ( -4.988 0.000 -6.778) 8.415 8.978 ( -5.414 0.000 -4.651) 7.137 9.768 ( 7.228 0.000 4.444) 8.485 9.848 ( -0.040 0.000 2.154) 2.155 9.991 ( -1.386 0.000 11.385) 11.469 10.054 ( -7.485 0.000 14.253) 16.099 10.249 ( 2.095 0.000 -3.883) 4.412 10.255 ( 2.040 0.000 -4.404) 4.853 11.106 ( 7.281 0.000 -9.937) 12.319 11.294 ( -10.262 0.000 -10.330) 14.561 14.538 ( 1.738 0.000 27.434) 27.489 14.594 ( -3.959 0.000 26.594) 26.887 15.918 ( 2.431 0.000 -7.980) 8.342 15.960 ( -1.497 0.000 -8.856) 8.981 20.076 ( 1.313 0.000 11.870) 11.942 20.126 ( -3.671 0.000 12.065) 12.611 21.126 ( 8.978 0.000 -11.914) 14.918 21.267 ( -4.278 0.000 -15.096) 15.690 22.299 ( 0.939 0.000 0.561) 1.093 22.312 ( -0.182 0.000 1.106) 1.121 22.470 ( 3.056 0.000 -2.031) 3.669 22.527 ( -2.267 0.000 -2.664) 3.498 23.638 ( 2.399 0.000 1.835) 3.020 23.692 ( -2.780 0.000 0.580) 2.840 23.975 ( 1.084 0.000 -5.676) 5.779 24.013 ( -2.437 0.000 -6.262) 6.719 ======================= Grid point 112 (41/72) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 0.529 4.707) 4.737 1.765 ( 0.000 0.972 19.598) 19.622 1.916 ( 0.000 -5.490 2.320) 5.960 2.022 ( 0.000 -5.924 8.052) 9.996 2.368 ( 0.000 0.413 5.953) 5.968 2.524 ( 0.000 2.030 0.376) 2.065 2.675 ( 0.000 -5.465 8.023) 9.707 2.750 ( 0.000 6.745 20.376) 21.464 2.814 ( 0.000 2.581 10.178) 10.500 2.952 ( 0.000 4.974 5.389) 7.333 3.067 ( 0.000 2.196 5.744) 6.150 3.178 ( 0.000 -0.645 8.790) 8.814 3.299 ( 0.000 2.018 1.307) 2.404 3.391 ( 0.000 2.308 4.422) 4.988 3.461 ( 0.000 4.926 -2.603) 5.572 3.556 ( 0.000 -3.556 0.795) 3.644 3.787 ( 0.000 5.874 -0.042) 5.874 3.795 ( 0.000 5.234 -2.796) 5.934 4.115 ( 0.000 -0.946 -7.851) 7.908 4.178 ( 0.000 -6.121 0.356) 6.132 4.321 ( 0.000 -3.495 -0.201) 3.501 4.329 ( 0.000 -3.022 -3.894) 4.929 4.448 ( 0.000 1.809 -4.433) 4.788 4.638 ( 0.000 -5.990 -4.763) 7.653 4.962 ( 0.000 -4.136 -5.226) 6.664 5.003 ( 0.000 -2.596 -7.547) 7.980 5.152 ( 0.000 3.708 -8.173) 8.975 5.288 ( 0.000 -3.602 -4.296) 5.607 5.463 ( 0.000 2.616 -4.931) 5.583 5.569 ( 0.000 -2.393 -1.617) 2.889 5.967 ( 0.000 -2.924 -2.987) 4.180 5.978 ( 0.000 -0.358 -0.386) 0.527 6.257 ( 0.000 8.023 2.115) 8.297 6.297 ( 0.000 2.352 -1.927) 3.041 6.574 ( 0.000 1.624 -7.531) 7.704 6.611 ( 0.000 5.130 -0.601) 5.165 6.758 ( 0.000 -4.720 1.868) 5.076 6.910 ( 0.000 -3.445 -0.001) 3.445 7.127 ( 0.000 -1.025 1.862) 2.126 7.163 ( 0.000 -0.371 2.419) 2.447 7.428 ( 0.000 4.024 -0.874) 4.118 7.636 ( 0.000 -5.014 -1.732) 5.305 7.708 ( 0.000 -0.362 -0.270) 0.451 7.739 ( 0.000 -0.379 -0.510) 0.636 8.934 ( 0.000 1.937 6.256) 6.549 9.049 ( 0.000 5.476 6.458) 8.467 9.159 ( 0.000 -6.016 1.235) 6.142 9.376 ( 0.000 2.823 3.488) 4.487 9.593 ( 0.000 1.647 -5.793) 6.022 9.763 ( 0.000 -1.422 -0.261) 1.446 9.803 ( 0.000 0.533 2.746) 2.797 10.011 ( 0.000 -7.733 2.176) 8.034 10.309 ( 0.000 0.138 1.714) 1.719 10.438 ( 0.000 -4.843 8.411) 9.706 11.120 ( 0.000 11.886 -10.344) 15.757 11.645 ( 0.000 -4.022 -10.872) 11.592 14.527 ( 0.000 2.830 27.628) 27.773 14.953 ( 0.000 -8.773 16.032) 18.275 15.812 ( 0.000 1.348 -5.396) 5.562 15.877 ( 0.000 -0.566 -5.247) 5.278 20.139 ( 0.000 3.763 10.834) 11.469 20.600 ( 0.000 0.711 1.788) 1.924 20.627 ( 0.000 -2.599 -2.587) 3.667 20.808 ( 0.000 -14.422 1.526) 14.502 22.217 ( 0.000 -0.908 0.770) 1.191 22.295 ( 0.000 -1.550 -1.133) 1.920 22.416 ( 0.000 6.874 -3.003) 7.501 22.564 ( 0.000 -0.202 -4.149) 4.153 23.656 ( 0.000 7.889 0.227) 7.893 23.849 ( 0.000 5.204 -2.472) 5.761 23.956 ( 0.000 -3.962 -6.018) 7.205 24.141 ( 0.000 0.200 -9.146) 9.148 ======================= Grid point 113 (42/72) ======================= q-point: ( 0.14 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.317 0.106 14.390) 14.394 1.780 ( 0.854 -1.055 8.660) 8.766 1.957 ( 3.445 0.689 11.858) 12.368 2.134 ( 11.061 -6.877 5.507) 14.141 2.369 ( -1.322 3.591 3.073) 4.908 2.457 ( -2.524 -0.267 3.857) 4.617 2.636 ( 2.497 -0.229 7.701) 8.099 2.764 ( -2.092 0.607 8.133) 8.420 2.891 ( 6.477 3.257 7.687) 10.566 3.006 ( 2.168 1.809 5.641) 6.308 3.127 ( 5.821 4.180 2.873) 7.720 3.193 ( 1.099 0.755 -1.011) 1.673 3.321 ( 2.091 4.002 1.290) 4.696 3.464 ( 4.325 0.765 -2.635) 5.121 3.500 ( 3.810 -0.489 1.955) 4.310 3.665 ( 7.015 1.221 9.999) 12.275 3.696 ( -1.250 3.014 1.226) 3.485 3.881 ( 2.662 1.749 -2.573) 4.095 4.067 ( -3.978 -0.573 -7.733) 8.715 4.200 ( 1.367 -4.780 0.422) 4.990 4.279 ( -2.074 -3.604 -2.400) 4.801 4.305 ( -2.235 -0.736 -2.847) 3.694 4.561 ( 9.249 0.813 -2.094) 9.518 4.704 ( 5.630 -5.254 -4.140) 8.743 4.888 ( -3.928 -1.761 -8.490) 9.519 5.025 ( 0.932 -4.587 -4.017) 6.168 5.166 ( 2.053 1.944 -4.849) 5.613 5.283 ( -4.045 -0.754 -2.599) 4.867 5.444 ( 2.836 1.511 -6.062) 6.861 5.614 ( 1.872 -2.790 -3.252) 4.676 5.890 ( -4.558 -0.349 -1.943) 4.968 5.997 ( -0.823 -1.424 -0.486) 1.715 6.184 ( -3.835 4.850 -0.110) 6.183 6.322 ( -0.267 4.796 0.894) 4.886 6.562 ( -0.712 1.330 -4.690) 4.927 6.611 ( 0.197 3.353 -1.549) 3.699 6.767 ( 1.398 -3.710 3.054) 5.004 6.958 ( 3.152 -4.852 -1.042) 5.879 7.068 ( -4.891 0.867 1.485) 5.184 7.164 ( 0.972 -1.076 0.637) 1.584 7.428 ( -0.155 3.629 -0.751) 3.709 7.638 ( -0.013 -3.686 -1.573) 4.008 7.721 ( 0.043 0.045 -0.314) 0.320 7.740 ( 0.134 -0.624 0.557) 0.847 8.881 ( -4.600 -0.589 3.224) 5.648 9.002 ( -3.661 4.093 6.030) 8.155 9.139 ( -2.103 -2.770 2.181) 4.105 9.329 ( -4.872 3.168 2.932) 6.510 9.583 ( 0.559 1.736 -4.299) 4.670 9.781 ( 1.233 -1.356 -1.162) 2.170 9.892 ( 7.437 0.545 4.048) 8.485 10.042 ( 3.067 -6.548 1.245) 7.337 10.262 ( -4.110 -0.123 1.497) 4.376 10.378 ( -5.402 -3.870 9.228) 11.372 11.100 ( -1.692 10.337 -9.951) 14.448 11.597 ( -4.590 -4.020 -10.832) 12.432 14.524 ( -0.148 2.308 27.652) 27.749 14.851 ( -8.172 -6.254 19.809) 22.322 15.829 ( 1.601 1.106 -5.762) 6.081 15.918 ( 2.810 -1.205 -7.045) 7.680 20.114 ( -1.886 2.822 10.999) 11.511 20.401 ( -10.645 -2.671 8.053) 13.612 20.729 ( 7.945 0.180 -3.996) 8.895 21.013 ( 11.874 -11.238 -6.584) 17.625 22.225 ( 0.800 -0.880 0.925) 1.506 22.311 ( 1.365 -1.223 -0.853) 2.022 22.416 ( -0.024 5.748 -2.727) 6.362 22.563 ( -0.179 -0.422 -3.969) 3.995 23.655 ( -0.066 7.190 0.364) 7.199 23.832 ( -1.471 4.969 -1.964) 5.542 23.948 ( -0.692 -3.664 -5.854) 6.941 24.119 ( -1.982 -0.080 -8.563) 8.790 ======================= Grid point 114 (43/72) ======================= q-point: ( 0.29 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 3.960 1.403 18.099) 18.581 1.832 ( 4.118 -2.253 1.511) 4.931 1.992 ( -0.078 12.075 14.995) 19.253 2.282 ( -6.239 1.918 -0.348) 6.536 2.404 ( 9.453 -7.431 5.629) 13.277 2.518 ( 9.331 -3.769 3.324) 10.598 2.698 ( -1.194 -1.151 7.289) 7.475 2.800 ( 9.424 1.792 4.766) 10.712 3.009 ( 3.169 5.216 1.574) 6.303 3.049 ( 3.584 4.465 3.363) 6.640 3.211 ( 2.143 -1.098 -5.658) 6.150 3.280 ( 7.793 0.702 -0.848) 7.870 3.382 ( 3.073 1.365 -1.186) 3.566 3.496 ( 0.580 3.289 -1.166) 3.537 3.577 ( -1.070 -0.187 -2.536) 2.759 3.696 ( 6.177 -0.996 1.489) 6.432 3.771 ( -1.703 -1.490 2.792) 3.594 3.882 ( -2.715 -0.834 -2.884) 4.048 3.985 ( -3.222 -0.738 -4.059) 5.235 4.165 ( -4.161 -2.667 -3.389) 5.992 4.246 ( -2.337 -0.529 -1.733) 2.957 4.322 ( 5.141 -1.502 -0.663) 5.397 4.724 ( -6.724 -1.238 -8.526) 10.929 4.763 ( 4.939 1.824 4.683) 7.046 4.916 ( 7.768 -2.381 -9.859) 12.775 5.068 ( 7.167 -5.798 3.322) 9.799 5.224 ( 5.246 -1.609 -0.230) 5.492 5.273 ( 3.300 1.313 -2.775) 4.507 5.508 ( 2.033 1.693 -3.713) 4.559 5.625 ( -0.439 -2.161 -5.172) 5.623 5.793 ( -4.696 2.535 -4.053) 6.701 5.962 ( -2.411 -2.234 -0.062) 3.287 6.122 ( -2.139 3.296 1.886) 4.359 6.279 ( -3.347 5.417 3.679) 7.354 6.561 ( 0.893 -1.143 -1.366) 1.992 6.628 ( 1.243 -1.260 2.648) 3.185 6.805 ( 2.007 0.104 1.423) 2.462 6.964 ( -2.903 2.219 2.072) 4.201 7.037 ( 3.103 -5.392 -2.775) 6.812 7.199 ( 1.950 -1.493 -1.459) 2.857 7.416 ( -1.009 2.185 0.015) 2.407 7.618 ( -1.831 -1.893 -1.610) 3.086 7.694 ( -3.379 0.383 1.769) 3.833 7.715 ( -2.452 0.143 0.862) 2.603 8.798 ( -2.257 -0.672 -0.080) 2.356 8.918 ( -3.634 0.954 2.116) 4.312 9.075 ( -4.381 0.886 0.040) 4.470 9.179 ( -8.870 2.643 -0.390) 9.263 9.642 ( 5.049 1.598 0.730) 5.346 9.813 ( 1.689 -1.375 0.689) 2.284 10.028 ( 2.929 1.429 9.284) 9.839 10.123 ( 3.098 -2.778 0.823) 4.242 10.182 ( -1.749 -2.297 1.643) 3.322 10.251 ( -4.552 -1.305 4.383) 6.453 11.071 ( -0.407 6.197 -9.602) 11.435 11.460 ( -8.421 -3.745 -10.615) 14.058 14.525 ( 0.285 1.221 27.619) 27.647 14.687 ( -6.701 -2.773 24.604) 25.651 15.871 ( 2.276 0.617 -6.848) 7.243 15.958 ( 0.855 -1.319 -8.594) 8.737 20.082 ( -0.920 1.525 11.476) 11.614 20.224 ( -6.509 -1.225 11.303) 13.101 20.924 ( 10.157 0.579 -7.635) 12.720 21.197 ( 5.379 -7.949 -12.629) 15.862 22.252 ( 1.732 -0.629 1.218) 2.208 22.339 ( 0.915 0.336 -0.249) 1.006 22.420 ( 0.692 2.033 -2.108) 3.010 22.552 ( -1.016 -0.770 -3.435) 3.664 23.656 ( 0.175 5.343 0.500) 5.369 23.795 ( -1.936 5.053 -1.046) 5.511 23.934 ( -0.438 -3.331 -5.455) 6.406 24.067 ( -2.867 -0.576 -7.195) 7.767 ======================= Grid point 115 (44/72) ======================= q-point: ( 0.43 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 9.749 3.772 9.909) 14.404 1.929 ( 4.429 2.321 2.230) 5.475 1.966 ( -2.176 10.147 9.184) 13.858 2.097 ( -10.453 5.109 2.629) 11.929 2.523 ( 3.443 -5.645 8.197) 10.531 2.612 ( -2.482 -2.899 9.097) 9.865 2.810 ( 11.430 -4.974 1.848) 12.601 2.962 ( 4.409 -0.178 1.429) 4.638 3.054 ( 0.829 3.319 0.958) 3.553 3.144 ( 1.081 1.526 -0.675) 1.989 3.209 ( -0.198 -1.120 1.087) 1.573 3.378 ( 0.557 2.152 -5.170) 5.628 3.469 ( 0.337 -3.144 -2.058) 3.773 3.494 ( 3.314 5.043 -2.559) 6.555 3.554 ( 0.550 1.494 -1.773) 2.383 3.719 ( -0.757 -0.463 -3.427) 3.540 3.809 ( -1.994 2.530 -2.905) 4.338 3.857 ( 5.830 -3.082 -5.238) 8.422 3.894 ( -2.168 -2.004 -4.020) 4.988 4.071 ( -6.617 -2.606 -3.992) 8.155 4.229 ( 1.803 -1.425 -1.892) 2.977 4.371 ( -5.417 -0.730 -1.329) 5.625 4.585 ( 3.086 -2.131 -6.167) 7.218 4.732 ( -6.681 -2.458 -2.079) 7.416 5.109 ( 6.341 -0.731 -1.522) 6.562 5.219 ( 5.284 -0.874 -1.166) 5.481 5.340 ( 4.258 3.354 -0.834) 5.484 5.416 ( 5.501 3.097 1.409) 6.468 5.501 ( -0.117 -3.187 -0.299) 3.203 5.640 ( 1.336 -1.393 -2.087) 2.843 5.722 ( -0.326 -0.241 -6.311) 6.324 5.859 ( -7.352 -2.199 -2.113) 7.959 6.121 ( 1.929 2.746 6.026) 6.898 6.206 ( -3.432 6.036 7.034) 9.884 6.604 ( 2.869 -3.257 2.141) 4.839 6.644 ( -0.303 -3.176 3.702) 4.886 6.840 ( 1.060 2.864 0.241) 3.063 6.925 ( -0.856 3.645 3.167) 4.903 7.096 ( 1.734 -7.452 -3.204) 8.295 7.229 ( 0.686 -1.937 -1.452) 2.516 7.409 ( 1.005 -0.887 0.875) 1.601 7.581 ( -1.517 -0.285 -0.522) 1.629 7.589 ( -4.791 2.128 2.394) 5.763 7.661 ( -2.193 1.165 0.844) 2.623 8.811 ( 3.352 0.117 -1.725) 3.772 8.884 ( -0.305 2.354 0.467) 2.420 8.962 ( -5.005 0.005 -5.291) 7.284 9.013 ( -6.165 2.113 -4.582) 7.967 9.773 ( 6.716 0.615 4.345) 8.023 9.845 ( 0.951 -0.353 2.246) 2.464 9.983 ( -4.087 -1.020 11.167) 11.935 10.050 ( -5.319 -0.130 13.433) 14.449 10.235 ( 3.867 -0.258 -2.616) 4.676 10.273 ( 1.675 0.640 -5.004) 5.316 11.113 ( 4.943 0.914 -9.844) 11.053 11.270 ( -9.265 -2.441 -10.273) 14.048 14.539 ( 1.076 0.035 27.429) 27.451 14.587 ( -3.071 -0.596 26.660) 26.843 15.914 ( 1.704 -0.362 -7.880) 8.070 15.956 ( -0.758 -0.383 -8.706) 8.748 20.081 ( 0.716 0.432 11.978) 12.007 20.127 ( -3.021 0.076 12.034) 12.408 21.116 ( 7.801 -0.787 -11.585) 13.989 21.228 ( -2.165 -3.677 -13.944) 14.582 22.293 ( 2.166 0.213 1.095) 2.436 22.333 ( -1.378 1.328 0.467) 1.970 22.449 ( 1.711 -1.919 -1.689) 3.076 22.523 ( -1.510 -0.437 -2.790) 3.203 23.662 ( 0.290 3.155 0.296) 3.182 23.762 ( -1.053 6.039 -0.246) 6.135 23.935 ( 0.384 -3.561 -5.507) 6.569 24.014 ( -1.805 -0.580 -5.772) 6.075 ======================= Grid point 119 (45/72) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 3.057 3.941) 4.988 1.743 ( 0.000 -4.771 5.821) 7.527 1.848 ( 0.000 0.953 9.719) 9.765 1.913 ( 0.000 -5.112 8.722) 10.110 2.395 ( 0.000 2.739 6.478) 7.033 2.473 ( 0.000 -5.209 6.443) 8.285 2.684 ( 0.000 3.887 4.946) 6.291 2.749 ( 0.000 -2.590 7.050) 7.511 2.969 ( 0.000 5.576 11.683) 12.946 2.999 ( 0.000 0.360 4.128) 4.143 3.094 ( 0.000 3.429 9.216) 9.833 3.160 ( 0.000 -1.808 11.101) 11.247 3.407 ( 0.000 7.369 0.079) 7.369 3.451 ( 0.000 2.869 2.910) 4.086 3.515 ( 0.000 -0.902 4.882) 4.964 3.526 ( 0.000 0.182 -1.565) 1.576 3.870 ( 0.000 3.473 3.118) 4.667 3.895 ( 0.000 3.470 -0.301) 3.483 4.032 ( 0.000 -5.350 1.886) 5.672 4.062 ( 0.000 -4.519 -6.474) 7.895 4.278 ( 0.000 -1.672 -0.166) 1.680 4.281 ( 0.000 -1.511 1.831) 2.374 4.490 ( 0.000 2.007 -6.232) 6.547 4.531 ( 0.000 -3.833 -5.508) 6.710 4.901 ( 0.000 -0.791 -5.124) 5.184 4.941 ( 0.000 -3.780 -7.692) 8.570 5.207 ( 0.000 1.928 -6.694) 6.966 5.237 ( 0.000 -1.850 -5.356) 5.667 5.497 ( 0.000 1.172 -6.504) 6.609 5.522 ( 0.000 -2.006 -4.654) 5.068 5.938 ( 0.000 -0.152 -2.608) 2.613 5.955 ( 0.000 -1.600 -1.339) 2.087 6.390 ( 0.000 5.533 0.705) 5.578 6.394 ( 0.000 5.419 3.108) 6.247 6.592 ( 0.000 -0.061 -8.756) 8.756 6.622 ( 0.000 -3.772 -5.306) 6.510 6.748 ( 0.000 3.887 0.063) 3.888 6.828 ( 0.000 -4.735 -0.228) 4.740 7.122 ( 0.000 0.680 3.439) 3.506 7.146 ( 0.000 -1.419 3.214) 3.513 7.487 ( 0.000 2.338 -2.257) 3.249 7.542 ( 0.000 -4.164 -2.488) 4.851 7.710 ( 0.000 0.661 0.653) 0.929 7.726 ( 0.000 -0.863 0.682) 1.100 8.985 ( 0.000 3.418 2.816) 4.429 9.060 ( 0.000 -4.593 1.268) 4.765 9.186 ( 0.000 8.788 8.011) 11.891 9.341 ( 0.000 -6.345 6.203) 8.874 9.653 ( 0.000 4.307 -3.920) 5.824 9.725 ( 0.000 -2.925 -2.432) 3.804 9.816 ( 0.000 1.399 1.919) 2.375 9.875 ( 0.000 -5.392 1.024) 5.488 10.321 ( 0.000 1.359 6.193) 6.341 10.363 ( 0.000 -3.127 9.646) 10.140 11.347 ( 0.000 11.465 -11.867) 16.501 11.532 ( 0.000 -8.043 -11.637) 14.145 14.612 ( 0.000 6.470 25.900) 26.696 14.768 ( 0.000 -9.860 21.983) 24.093 15.839 ( 0.000 1.381 -5.592) 5.760 15.862 ( 0.000 -1.033 -5.466) 5.563 20.252 ( 0.000 8.494 10.285) 13.339 20.459 ( 0.000 -13.222 6.764) 14.852 20.619 ( 0.000 1.294 0.934) 1.596 20.651 ( 0.000 -2.560 0.705) 2.656 22.226 ( 0.000 1.390 -0.228) 1.408 22.260 ( 0.000 -2.052 -0.895) 2.238 22.511 ( 0.000 3.395 -4.013) 5.257 22.552 ( 0.000 -1.234 -4.033) 4.218 23.781 ( 0.000 5.303 -2.797) 5.996 23.873 ( 0.000 -4.719 -4.330) 6.405 23.991 ( 0.000 8.416 -6.997) 10.944 24.111 ( 0.000 -3.876 -9.355) 10.126 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.14 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.592 4.394 10.566) 11.459 1.746 ( -0.046 -1.559 6.241) 6.433 1.918 ( 9.175 -3.008 9.202) 13.338 1.987 ( 9.069 -6.621 7.547) 13.529 2.396 ( -1.630 0.676 5.721) 5.987 2.560 ( 4.796 3.951 1.480) 6.388 2.644 ( -0.509 4.244 6.653) 7.908 2.742 ( -0.342 -3.128 5.797) 6.596 2.965 ( 3.593 2.758 5.886) 7.427 3.001 ( 2.328 -1.454 2.574) 3.763 3.166 ( 2.657 0.702 4.000) 4.853 3.237 ( 3.334 2.258 4.259) 5.861 3.422 ( 1.234 5.581 -0.193) 5.719 3.476 ( 3.146 1.084 2.698) 4.284 3.506 ( 1.930 -0.916 -0.820) 2.288 3.643 ( 4.389 -1.612 8.509) 9.709 3.815 ( -0.797 7.189 3.715) 8.131 3.905 ( -2.164 0.016 -0.666) 2.265 4.034 ( -1.080 -2.750 -4.089) 5.044 4.096 ( 3.452 -4.171 0.396) 5.429 4.205 ( -3.281 -3.188 -1.829) 4.927 4.306 ( 0.360 0.518 0.915) 1.111 4.553 ( 6.937 -1.888 0.498) 7.206 4.634 ( 9.165 -1.222 -5.910) 10.973 4.863 ( -2.695 0.445 -8.042) 8.493 4.937 ( -0.406 -4.271 -3.107) 5.297 5.209 ( -0.260 2.500 -6.010) 6.515 5.257 ( -0.546 -2.083 -4.275) 4.787 5.481 ( 2.068 2.312 -6.354) 7.071 5.548 ( 1.243 -3.493 -5.229) 6.410 5.880 ( -3.186 -0.394 -2.861) 4.300 5.971 ( -0.967 -1.035 0.160) 1.425 6.316 ( -3.441 7.402 -0.903) 8.212 6.406 ( -1.094 2.331 2.810) 3.811 6.567 ( -2.289 -1.249 -5.173) 5.793 6.637 ( -0.975 -0.458 -3.001) 3.188 6.754 ( 2.662 2.536 -0.034) 3.677 6.859 ( 1.998 -4.905 -1.835) 5.606 7.064 ( -3.944 -0.780 0.074) 4.021 7.144 ( 0.065 -0.755 2.028) 2.165 7.473 ( -0.458 0.866 -1.748) 2.004 7.594 ( 2.803 -0.719 -0.792) 3.000 7.721 ( 0.381 -0.214 0.934) 1.031 7.725 ( -0.362 -0.452 1.506) 1.614 8.888 ( -6.329 0.769 1.142) 6.477 9.009 ( -5.155 -1.718 1.010) 5.526 9.187 ( -0.495 5.812 7.579) 9.564 9.324 ( -3.253 -3.383 6.302) 7.858 9.649 ( 0.498 4.914 -4.126) 6.436 9.740 ( 0.994 -3.506 -2.812) 4.603 9.892 ( 6.784 -0.840 1.582) 7.016 9.935 ( 5.873 -2.896 0.794) 6.596 10.265 ( -5.104 0.521 7.274) 8.901 10.318 ( -4.026 -2.194 9.350) 10.414 11.305 ( -3.822 10.559 -11.258) 15.901 11.486 ( -4.336 -7.657 -11.412) 14.411 14.593 ( -1.602 5.107 26.348) 26.886 14.715 ( -4.362 -7.450 23.592) 25.121 15.854 ( 1.409 1.466 -6.040) 6.373 15.890 ( 2.167 -1.533 -6.561) 7.078 20.191 ( -4.232 4.972 10.747) 12.575 20.321 ( -7.771 -5.373 9.726) 13.559 20.743 ( 9.576 1.516 -3.015) 10.154 20.832 ( 11.791 -6.507 -2.556) 13.707 22.231 ( 0.695 0.972 -0.030) 1.195 22.280 ( 1.711 -1.606 -0.587) 2.419 22.499 ( -1.199 2.959 -3.503) 4.740 22.549 ( -0.392 -1.138 -4.012) 4.189 23.774 ( -0.645 5.272 -2.643) 5.932 23.865 ( -0.689 -4.507 -4.096) 6.129 23.970 ( -1.911 7.775 -6.076) 10.051 24.086 ( -2.251 -3.873 -8.455) 9.569 ======================= Grid point 121 (47/72) ======================= q-point: ( 0.29 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 3.847 1.112 9.367) 10.188 1.833 ( 8.165 3.223 7.659) 11.649 2.137 ( 7.987 -1.344 10.591) 13.332 2.199 ( 7.146 -1.588 5.912) 9.409 2.338 ( -0.445 -2.651 4.369) 5.130 2.530 ( -3.501 3.181 2.762) 5.477 2.714 ( 2.356 3.504 2.194) 4.759 2.824 ( 8.749 -0.390 1.097) 8.826 3.067 ( 1.547 1.176 -0.801) 2.102 3.103 ( 5.627 -0.056 3.045) 6.398 3.179 ( 3.255 0.111 0.367) 3.278 3.315 ( 5.488 1.028 1.405) 5.758 3.436 ( 0.264 3.988 -1.446) 4.250 3.506 ( 0.330 -2.135 0.036) 2.161 3.591 ( -0.959 2.087 -0.376) 2.327 3.660 ( 4.874 -3.041 1.710) 5.994 3.772 ( -5.561 1.157 -1.597) 5.901 3.851 ( -2.124 -1.681 -1.260) 2.987 3.997 ( -2.070 2.388 -3.069) 4.405 4.103 ( -2.375 -3.775 -2.494) 5.110 4.230 ( 1.753 -0.789 1.482) 2.427 4.299 ( 0.253 -0.807 1.355) 1.598 4.711 ( -2.890 0.182 -6.704) 7.303 4.801 ( 4.151 2.304 1.470) 4.970 4.857 ( 4.689 -3.601 -7.883) 9.853 4.963 ( 9.865 -3.884 5.111) 11.769 5.214 ( 5.460 0.520 -0.680) 5.527 5.284 ( 3.334 -0.349 -2.829) 4.386 5.534 ( 1.751 0.768 -3.745) 4.205 5.589 ( 1.330 -1.024 -7.212) 7.405 5.813 ( -3.843 -0.135 -3.973) 5.530 5.923 ( -2.986 -1.224 0.929) 3.358 6.242 ( -4.006 6.482 0.167) 7.622 6.378 ( -1.116 5.050 2.953) 5.955 6.529 ( -0.650 -3.447 0.228) 3.515 6.591 ( -2.313 -1.441 2.087) 3.433 6.825 ( 3.517 1.302 -1.293) 3.967 6.896 ( 1.242 -4.517 -3.556) 5.881 7.006 ( -1.354 -1.093 -2.825) 3.318 7.172 ( 2.617 -0.472 -0.450) 2.697 7.448 ( -2.576 0.937 0.274) 2.755 7.614 ( -0.853 0.728 0.013) 1.121 7.697 ( -2.373 -0.002 2.286) 3.295 7.707 ( -1.886 -0.603 2.391) 3.104 8.792 ( -2.107 -0.016 -1.285) 2.468 8.916 ( -2.560 -0.479 -0.766) 2.715 9.131 ( -5.294 3.976 2.973) 7.257 9.192 ( -8.496 -1.497 2.042) 8.865 9.694 ( 3.849 3.843 0.157) 5.441 9.770 ( 2.115 -3.358 0.292) 3.979 10.046 ( 5.800 0.217 5.035) 7.684 10.090 ( 6.018 -0.510 -2.613) 6.581 10.139 ( -4.331 -1.441 9.662) 10.686 10.224 ( -3.403 -1.196 4.986) 6.154 11.210 ( -4.749 7.782 -10.252) 13.719 11.362 ( -7.354 -6.459 -10.774) 14.556 14.560 ( -1.402 2.403 27.048) 27.191 14.626 ( -3.627 -3.356 25.836) 26.305 15.887 ( 1.463 0.885 -7.063) 7.267 15.931 ( 1.489 -1.300 -7.901) 8.145 20.119 ( -2.465 1.962 11.654) 12.072 20.192 ( -4.654 -1.802 11.480) 12.518 20.952 ( 9.670 2.577 -7.525) 12.521 21.049 ( 8.446 -6.552 -8.701) 13.783 22.258 ( 1.905 0.833 0.581) 2.159 22.321 ( 2.087 -1.313 -0.076) 2.467 22.462 ( -2.333 1.676 -2.267) 3.659 22.535 ( -0.947 -0.833 -3.659) 3.870 23.759 ( -0.718 5.312 -2.366) 5.859 23.851 ( -0.453 -4.209 -3.744) 5.652 23.922 ( -2.446 6.195 -4.187) 7.867 24.029 ( -2.914 -3.599 -6.525) 8.001 ======================= Grid point 122 (48/72) ======================= q-point: ( 0.43 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 9.595 0.747 4.793) 10.752 2.029 ( 5.463 6.657 4.736) 9.828 2.090 ( -3.963 1.763 2.127) 4.831 2.261 ( -3.117 10.530 6.876) 12.957 2.418 ( 4.614 -3.744 7.321) 9.429 2.482 ( -1.157 -9.502 7.325) 12.053 2.774 ( 2.767 0.189 0.350) 2.795 2.975 ( 4.821 -0.915 1.453) 5.118 3.054 ( -2.864 -0.352 0.362) 2.908 3.137 ( 2.664 0.905 0.067) 2.814 3.263 ( -2.153 2.918 1.197) 3.819 3.383 ( -0.021 -3.718 2.706) 4.598 3.454 ( 4.000 3.576 -1.273) 5.515 3.572 ( 1.652 0.463 -3.571) 3.962 3.596 ( 1.840 4.004 -0.384) 4.423 3.687 ( 5.516 -1.997 -3.200) 6.682 3.791 ( 3.823 -2.370 -4.955) 6.692 3.822 ( 0.546 -2.779 -3.454) 4.467 3.902 ( -6.967 4.132 -2.779) 8.563 4.001 ( -8.169 -4.379 -1.727) 9.429 4.234 ( 0.744 1.573 -4.705) 5.017 4.344 ( 2.458 -1.916 -1.813) 3.605 4.565 ( -3.997 0.488 -8.340) 9.261 4.659 ( -9.291 -4.210 -1.737) 10.347 5.100 ( 8.435 -0.237 6.154) 10.444 5.227 ( 11.555 1.239 -3.964) 12.279 5.372 ( 4.488 -0.864 2.654) 5.285 5.409 ( 6.059 -0.706 3.359) 6.964 5.538 ( -0.626 4.307 -3.648) 5.679 5.590 ( 1.999 -2.132 -4.066) 5.008 5.715 ( -4.349 -1.577 -6.615) 8.072 5.807 ( -8.970 -2.129 -0.357) 9.226 6.221 ( 2.150 5.892 4.474) 7.704 6.351 ( -1.542 8.930 5.658) 10.683 6.525 ( -0.011 -5.872 4.651) 7.491 6.570 ( -0.238 -4.286 2.568) 5.002 6.882 ( 1.324 1.144 -3.521) 3.932 6.917 ( 1.176 -2.621 -3.478) 4.511 6.992 ( -0.435 -2.796 -3.253) 4.312 7.218 ( 0.858 0.677 1.331) 1.723 7.392 ( -1.395 -0.637 0.174) 1.544 7.586 ( -1.036 0.489 0.438) 1.227 7.631 ( -2.976 1.616 3.827) 5.110 7.668 ( -1.369 -0.169 1.747) 2.226 8.815 ( 4.255 0.190 -2.156) 4.774 8.921 ( 2.231 1.173 -1.365) 2.866 8.969 ( -8.267 0.472 -3.104) 8.843 9.041 ( -5.853 0.752 -3.336) 6.779 9.794 ( 4.894 1.485 3.710) 6.318 9.829 ( 3.534 -1.357 3.195) 4.953 9.964 ( -6.935 -0.636 10.033) 12.213 10.051 ( -3.673 0.055 13.011) 13.519 10.244 ( 4.896 0.954 -2.434) 5.550 10.271 ( 3.454 -0.760 -4.669) 5.857 11.144 ( -0.790 2.274 -9.718) 10.012 11.213 ( -5.946 -3.194 -10.175) 12.210 14.540 ( -0.499 0.065 27.435) 27.440 14.576 ( -1.129 -0.412 26.752) 26.779 15.908 ( 0.548 -0.226 -7.712) 7.735 15.950 ( 0.411 -0.229 -8.479) 8.492 20.089 ( -0.590 0.314 12.204) 12.222 20.128 ( -1.619 0.012 11.944) 12.054 21.108 ( 4.825 0.164 -11.189) 12.186 21.159 ( 2.091 -2.822 -12.153) 12.650 22.306 ( 2.556 0.818 1.024) 2.873 22.350 ( 0.012 0.374 0.359) 0.519 22.415 ( -1.573 -1.319 -1.205) 2.380 22.514 ( -0.799 -0.340 -2.973) 3.097 23.748 ( -0.262 5.516 -2.282) 5.975 23.850 ( 0.273 -4.590 -4.060) 6.134 23.881 ( -1.370 4.962 -2.458) 5.704 23.980 ( -1.437 -2.912 -4.936) 5.908 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 0.000 6.022) 6.022 1.973 ( 0.000 0.000 -1.831) 1.831 2.247 ( 0.000 0.000 18.935) 18.935 2.289 ( 0.000 0.000 7.576) 7.576 2.429 ( 0.000 0.000 -2.106) 2.106 2.448 ( 0.000 0.000 5.078) 5.078 2.652 ( 0.000 0.000 -10.706) 10.706 2.895 ( 0.000 0.000 5.204) 5.204 2.975 ( 0.000 0.000 -1.945) 1.945 3.043 ( 0.000 0.000 -1.359) 1.359 3.112 ( 0.000 0.000 10.758) 10.758 3.283 ( 0.000 0.000 -3.700) 3.700 3.328 ( 0.000 0.000 6.963) 6.963 3.452 ( 0.000 0.000 4.738) 4.738 3.652 ( 0.000 0.000 13.105) 13.105 3.654 ( 0.000 0.000 -1.761) 1.761 3.706 ( 0.000 0.000 1.327) 1.327 3.757 ( 0.000 0.000 12.282) 12.282 3.990 ( 0.000 0.000 -1.135) 1.135 4.207 ( 0.000 0.000 -0.895) 0.895 4.304 ( 0.000 0.000 -1.358) 1.358 4.360 ( 0.000 0.000 -0.606) 0.606 4.362 ( 0.000 0.000 -2.717) 2.717 4.513 ( 0.000 0.000 -11.421) 11.421 4.831 ( 0.000 0.000 -8.059) 8.059 4.892 ( 0.000 0.000 -9.014) 9.014 5.023 ( 0.000 0.000 3.323) 3.323 5.319 ( 0.000 0.000 -6.696) 6.696 5.357 ( 0.000 0.000 5.881) 5.881 5.639 ( 0.000 0.000 5.186) 5.186 5.848 ( 0.000 0.000 -11.089) 11.089 5.924 ( 0.000 0.000 -5.696) 5.696 6.248 ( 0.000 0.000 5.605) 5.605 6.271 ( 0.000 0.000 -0.006) 0.006 6.398 ( 0.000 0.000 -6.657) 6.657 6.491 ( 0.000 0.000 -4.541) 4.541 6.891 ( 0.000 0.000 2.767) 2.767 6.944 ( 0.000 0.000 -0.201) 0.201 7.159 ( 0.000 0.000 1.007) 1.007 7.188 ( 0.000 0.000 0.184) 0.184 7.437 ( 0.000 0.000 4.954) 4.954 7.658 ( 0.000 0.000 -4.470) 4.470 7.706 ( 0.000 0.000 0.059) 0.059 7.710 ( 0.000 0.000 0.587) 0.587 9.072 ( 0.000 0.000 6.093) 6.093 9.097 ( 0.000 0.000 5.077) 5.077 9.255 ( 0.000 0.000 -2.152) 2.152 9.291 ( 0.000 0.000 -3.592) 3.592 9.538 ( 0.000 0.000 3.757) 3.757 9.785 ( 0.000 0.000 1.986) 1.986 9.801 ( 0.000 0.000 -3.844) 3.844 10.028 ( 0.000 0.000 -7.237) 7.237 10.381 ( 0.000 0.000 7.133) 7.133 10.758 ( 0.000 0.000 16.392) 16.392 10.790 ( 0.000 0.000 -9.970) 9.970 11.427 ( 0.000 0.000 -13.771) 13.771 15.030 ( 0.000 0.000 21.904) 21.904 15.308 ( 0.000 0.000 12.272) 12.272 15.655 ( 0.000 0.000 -8.794) 8.794 15.745 ( 0.000 0.000 -7.982) 7.982 20.310 ( 0.000 0.000 8.542) 8.542 20.568 ( 0.000 0.000 -4.236) 4.236 20.655 ( 0.000 0.000 3.710) 3.710 20.862 ( 0.000 0.000 -5.722) 5.722 22.267 ( 0.000 0.000 -0.152) 0.152 22.289 ( 0.000 0.000 -0.935) 0.935 22.327 ( 0.000 0.000 2.725) 2.725 22.476 ( 0.000 0.000 -4.163) 4.163 23.664 ( 0.000 0.000 5.549) 5.549 23.787 ( 0.000 0.000 -0.170) 0.170 23.874 ( 0.000 0.000 -4.740) 4.740 23.955 ( 0.000 0.000 -8.111) 8.111 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 5.872 0.000 6.606) 8.839 2.092 ( 7.864 0.000 0.084) 7.864 2.184 ( -4.228 0.000 14.653) 15.251 2.327 ( 5.264 0.000 8.484) 9.985 2.351 ( -4.538 0.000 1.083) 4.665 2.572 ( 7.606 0.000 6.231) 9.833 2.641 ( 1.109 0.000 -7.078) 7.164 2.905 ( 0.370 0.000 1.004) 1.070 2.970 ( -2.218 0.000 6.815) 7.167 3.065 ( -2.139 0.000 3.436) 4.047 3.085 ( 3.089 0.000 -2.141) 3.758 3.260 ( -4.374 0.000 7.408) 8.602 3.305 ( 1.447 0.000 -6.495) 6.654 3.390 ( -0.551 0.000 4.707) 4.739 3.549 ( -4.425 0.000 -0.261) 4.432 3.658 ( 2.917 0.000 5.390) 6.129 3.781 ( 0.308 0.000 -6.991) 6.998 3.937 ( 3.995 0.000 5.966) 7.180 3.997 ( 1.792 0.000 4.070) 4.447 4.215 ( -0.463 0.000 -2.163) 2.212 4.255 ( -3.608 0.000 -0.578) 3.654 4.301 ( 0.406 0.000 1.801) 1.846 4.488 ( 7.095 0.000 -3.656) 7.981 4.561 ( 3.259 0.000 -12.591) 13.006 4.780 ( 1.262 0.000 -0.633) 1.412 5.033 ( 9.957 0.000 -6.667) 11.983 5.070 ( 3.898 0.000 3.333) 5.128 5.263 ( -3.642 0.000 -2.582) 4.464 5.391 ( 1.995 0.000 3.303) 3.858 5.654 ( 0.793 0.000 4.156) 4.231 5.789 ( -5.580 0.000 -8.615) 10.264 5.930 ( 0.700 0.000 -5.233) 5.279 6.236 ( -0.649 0.000 5.036) 5.078 6.277 ( 0.333 0.000 1.024) 1.077 6.426 ( 2.588 0.000 -6.335) 6.843 6.484 ( 1.385 0.000 -5.474) 5.647 6.917 ( 2.222 0.000 3.937) 4.521 7.012 ( 4.882 0.000 -0.826) 4.951 7.085 ( -5.905 0.000 1.892) 6.201 7.152 ( -2.672 0.000 -1.142) 2.906 7.431 ( -0.454 0.000 4.399) 4.423 7.642 ( -1.473 0.000 -4.411) 4.651 7.704 ( 0.230 0.000 0.849) 0.879 7.735 ( 0.769 0.000 -0.282) 0.819 9.011 ( -7.170 0.000 5.105) 8.802 9.045 ( -3.012 0.000 4.544) 5.452 9.207 ( -5.172 0.000 -3.526) 6.260 9.214 ( -6.918 0.000 -2.975) 7.531 9.576 ( 4.258 0.000 4.919) 6.506 9.808 ( 2.099 0.000 2.340) 3.143 9.876 ( 6.392 0.000 -5.352) 8.337 10.037 ( 0.979 0.000 -6.867) 6.936 10.349 ( -2.761 0.000 8.384) 8.827 10.708 ( -4.719 0.000 16.792) 17.442 10.786 ( -0.203 0.000 -10.302) 10.304 11.379 ( -4.622 0.000 -13.782) 14.537 15.032 ( 0.199 0.000 21.942) 21.943 15.255 ( -4.382 0.000 14.762) 15.399 15.666 ( 0.965 0.000 -9.181) 9.232 15.757 ( 0.822 0.000 -9.298) 9.334 20.304 ( -0.379 0.000 9.422) 9.430 20.576 ( -5.615 0.000 7.262) 9.180 20.620 ( 4.644 0.000 -5.864) 7.480 20.924 ( 3.902 0.000 -9.628) 10.389 22.270 ( 0.590 0.000 0.469) 0.753 22.316 ( 2.149 0.000 -1.402) 2.566 22.336 ( 0.695 0.000 2.704) 2.792 22.481 ( 0.389 0.000 -4.021) 4.040 23.666 ( 0.214 0.000 5.257) 5.261 23.777 ( -0.971 0.000 0.072) 0.974 23.869 ( -0.477 0.000 -4.605) 4.630 23.944 ( -0.995 0.000 -7.786) 7.849 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 4.638 0.000 6.933) 8.341 2.104 ( -3.573 0.000 11.354) 11.903 2.127 ( -2.310 0.000 12.015) 12.235 2.259 ( -4.201 0.000 1.970) 4.640 2.576 ( 15.005 0.000 0.701) 15.021 2.715 ( 5.475 0.000 9.460) 10.930 2.763 ( 9.858 0.000 -5.280) 11.183 2.907 ( -2.034 0.000 8.543) 8.782 2.936 ( 3.913 0.000 0.208) 3.918 3.044 ( 0.183 0.000 1.342) 1.355 3.118 ( -0.522 0.000 -2.632) 2.683 3.240 ( 3.198 0.000 1.148) 3.398 3.315 ( -1.475 0.000 -7.488) 7.632 3.440 ( 4.581 0.000 -0.398) 4.598 3.512 ( 0.718 0.000 -2.671) 2.766 3.715 ( -4.748 0.000 -9.092) 10.258 3.732 ( 2.879 0.000 2.131) 3.582 3.849 ( -8.635 0.000 -0.111) 8.636 3.972 ( -7.112 0.000 0.489) 7.129 4.118 ( -7.032 0.000 -4.497) 8.347 4.280 ( 5.047 0.000 0.453) 5.067 4.295 ( -0.695 0.000 4.520) 4.573 4.577 ( -2.076 0.000 -8.869) 9.108 4.624 ( 4.410 0.000 -11.291) 12.122 4.948 ( 10.734 0.000 9.624) 14.417 5.136 ( 1.880 0.000 0.925) 2.095 5.247 ( 1.722 0.000 -1.102) 2.045 5.265 ( 11.069 0.000 -0.617) 11.086 5.422 ( 2.899 0.000 -1.031) 3.077 5.649 ( -6.461 0.000 -5.950) 8.783 5.673 ( 1.691 0.000 6.219) 6.445 5.937 ( -0.997 0.000 -3.070) 3.228 6.258 ( 3.216 0.000 7.192) 7.879 6.273 ( -0.700 0.000 3.933) 3.995 6.502 ( 4.770 0.000 -5.612) 7.366 6.579 ( 6.450 0.000 -5.514) 8.486 6.953 ( 0.810 0.000 5.297) 5.359 6.974 ( -3.748 0.000 3.681) 5.254 7.100 ( 3.385 0.000 -1.784) 3.826 7.119 ( 0.026 0.000 -3.397) 3.397 7.428 ( 0.437 0.000 3.197) 3.226 7.602 ( -2.176 0.000 -3.949) 4.509 7.690 ( -2.117 0.000 0.711) 2.234 7.711 ( -3.390 0.000 0.051) 3.391 8.854 ( -6.857 0.000 3.329) 7.622 8.942 ( -6.319 0.000 1.478) 6.489 9.040 ( -9.226 0.000 -3.185) 9.760 9.050 ( -9.121 0.000 -4.840) 10.325 9.712 ( 8.240 0.000 6.188) 10.305 9.861 ( 2.771 0.000 2.884) 3.999 10.023 ( 6.623 0.000 -6.952) 9.602 10.072 ( 2.340 0.000 -6.272) 6.694 10.291 ( -2.030 0.000 11.396) 11.576 10.576 ( -7.748 0.000 17.142) 18.812 10.793 ( 1.382 0.000 -11.228) 11.313 11.241 ( -8.494 0.000 -13.664) 16.089 15.040 ( 0.572 0.000 21.951) 21.958 15.161 ( -4.179 0.000 18.644) 19.107 15.692 ( 1.448 0.000 -10.061) 10.165 15.765 ( -0.217 0.000 -10.946) 10.948 20.305 ( 0.646 0.000 11.101) 11.120 20.466 ( -4.719 0.000 11.054) 12.019 20.738 ( 6.320 0.000 -9.392) 11.320 20.976 ( 0.799 0.000 -13.710) 13.733 22.293 ( 1.550 0.000 1.282) 2.011 22.349 ( 0.449 0.000 2.580) 2.619 22.368 ( 2.751 0.000 -1.917) 3.353 22.485 ( -0.246 0.000 -3.610) 3.618 23.674 ( 0.564 0.000 4.430) 4.466 23.750 ( -1.541 0.000 0.790) 1.731 23.860 ( -0.248 0.000 -4.485) 4.492 23.917 ( -1.566 0.000 -6.918) 7.093 ======================= Grid point 143 (52/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.760 0.000 7.361) 7.862 2.033 ( -3.165 0.000 8.856) 9.404 2.108 ( 1.460 0.000 11.452) 11.544 2.174 ( -4.095 0.000 5.977) 7.245 2.764 ( 3.136 0.000 0.070) 3.137 2.779 ( 0.973 0.000 8.089) 8.147 2.911 ( 2.266 0.000 0.217) 2.277 2.956 ( 2.219 0.000 3.838) 4.433 3.015 ( 5.872 0.000 -5.020) 7.725 3.091 ( 2.582 0.000 3.530) 4.373 3.182 ( 6.258 0.000 -3.599) 7.219 3.249 ( -3.663 0.000 -5.241) 6.394 3.386 ( 11.159 0.000 0.303) 11.163 3.496 ( -3.105 0.000 -0.375) 3.128 3.498 ( -1.775 0.000 -0.683) 1.901 3.639 ( -6.196 0.000 -2.760) 6.783 3.703 ( 2.461 0.000 -4.322) 4.974 3.773 ( -6.773 0.000 -7.130) 9.834 3.796 ( 0.858 0.000 -4.633) 4.712 3.929 ( -10.787 0.000 -10.323) 14.931 4.308 ( 2.003 0.000 4.967) 5.356 4.350 ( -0.485 0.000 2.651) 2.695 4.571 ( 3.834 0.000 -2.756) 4.722 4.657 ( -1.905 0.000 -8.358) 8.572 5.065 ( 2.776 0.000 3.303) 4.315 5.132 ( -2.728 0.000 -2.015) 3.392 5.287 ( 2.766 0.000 -4.128) 4.969 5.359 ( -2.709 0.000 -4.028) 4.854 5.573 ( 8.822 0.000 2.251) 9.105 5.660 ( 9.049 0.000 -1.480) 9.170 5.694 ( -1.810 0.000 6.004) 6.271 5.853 ( -7.396 0.000 -1.001) 7.463 6.281 ( 2.170 0.000 8.530) 8.802 6.316 ( 0.589 0.000 9.925) 9.942 6.615 ( 5.408 0.000 -4.524) 7.051 6.671 ( 1.042 0.000 -4.001) 4.135 6.942 ( 0.033 0.000 5.532) 5.532 6.950 ( -0.579 0.000 6.114) 6.142 7.148 ( 1.964 0.000 -4.228) 4.662 7.156 ( 1.679 0.000 -3.362) 3.758 7.469 ( 4.105 0.000 2.383) 4.746 7.572 ( 0.110 0.000 -2.338) 2.341 7.594 ( -6.898 0.000 1.374) 7.034 7.624 ( -4.149 0.000 -0.176) 4.153 8.776 ( 0.124 0.000 -0.658) 0.670 8.841 ( -2.140 0.000 -2.031) 2.950 8.861 ( -7.276 0.000 -3.312) 7.994 8.883 ( -5.847 0.000 -4.453) 7.350 9.869 ( 5.520 0.000 5.178) 7.568 9.907 ( 1.118 0.000 3.621) 3.789 10.105 ( 1.609 0.000 -4.461) 4.742 10.114 ( 1.038 0.000 -5.306) 5.406 10.301 ( 3.141 0.000 12.537) 12.924 10.411 ( -7.389 0.000 15.918) 17.549 10.869 ( 6.431 0.000 -12.447) 14.010 11.046 ( -9.848 0.000 -13.255) 16.513 15.057 ( 1.200 0.000 21.731) 21.764 15.093 ( -2.423 0.000 20.891) 21.031 15.722 ( 1.476 0.000 -10.937) 11.036 15.750 ( -1.122 0.000 -11.393) 11.448 20.332 ( 1.923 0.000 12.412) 12.560 20.385 ( -3.230 0.000 12.620) 13.027 20.864 ( 5.536 0.000 -12.803) 13.949 20.953 ( -2.909 0.000 -14.620) 14.906 22.326 ( 1.509 0.000 1.890) 2.419 22.349 ( -0.572 0.000 2.308) 2.377 22.423 ( 2.522 0.000 -2.399) 3.481 22.466 ( -1.546 0.000 -3.001) 3.376 23.690 ( 1.066 0.000 3.229) 3.400 23.717 ( -1.512 0.000 1.915) 2.440 23.863 ( 0.615 0.000 -4.868) 4.907 23.885 ( -1.415 0.000 -5.803) 5.973 ======================= Grid point 147 (53/72) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 -1.834 3.661) 4.095 1.883 ( 0.000 -7.790 -2.539) 8.194 2.155 ( 0.000 -7.146 13.271) 15.073 2.185 ( 0.000 -7.402 6.171) 9.637 2.460 ( 0.000 1.860 3.050) 3.573 2.512 ( 0.000 4.703 -1.036) 4.816 2.827 ( 0.000 -3.978 5.767) 7.006 2.831 ( 0.000 13.496 -3.795) 14.020 2.940 ( 0.000 -4.622 1.845) 4.976 3.047 ( 0.000 4.591 -0.560) 4.625 3.212 ( 0.000 4.709 7.450) 8.813 3.299 ( 0.000 2.362 0.243) 2.375 3.361 ( 0.000 3.031 4.628) 5.532 3.448 ( 0.000 -0.009 6.697) 6.697 3.611 ( 0.000 -0.100 7.349) 7.349 3.754 ( 0.000 1.968 4.896) 5.277 3.762 ( 0.000 6.150 1.999) 6.467 3.764 ( 0.000 2.879 5.736) 6.418 4.000 ( 0.000 0.899 -0.943) 1.303 4.180 ( 0.000 -3.538 -0.536) 3.578 4.274 ( 0.000 -2.567 -0.662) 2.651 4.333 ( 0.000 -1.660 0.259) 1.681 4.378 ( 0.000 1.572 -2.867) 3.270 4.487 ( 0.000 -2.861 -9.549) 9.969 4.806 ( 0.000 -2.305 -7.449) 7.798 4.854 ( 0.000 -3.275 -6.630) 7.395 5.055 ( 0.000 2.872 0.094) 2.874 5.268 ( 0.000 -3.636 -1.657) 3.996 5.384 ( 0.000 1.174 1.219) 1.692 5.589 ( 0.000 -4.900 2.936) 5.712 5.901 ( 0.000 4.128 -6.850) 7.998 5.905 ( 0.000 -1.348 -3.290) 3.555 6.225 ( 0.000 -1.855 -3.448) 3.915 6.272 ( 0.000 2.914 -2.229) 3.669 6.447 ( 0.000 3.801 -2.108) 4.346 6.562 ( 0.000 4.836 -3.454) 5.943 6.814 ( 0.000 -6.307 3.158) 7.053 6.903 ( 0.000 -4.110 -0.827) 4.193 7.171 ( 0.000 0.897 1.737) 1.955 7.194 ( 0.000 0.427 0.624) 0.757 7.447 ( 0.000 0.618 2.428) 2.506 7.584 ( 0.000 -5.466 -3.080) 6.273 7.714 ( 0.000 0.836 0.689) 1.084 7.740 ( 0.000 1.217 0.068) 1.219 9.035 ( 0.000 -1.193 4.144) 4.312 9.160 ( 0.000 -5.421 -1.249) 5.563 9.185 ( 0.000 6.478 5.792) 8.690 9.378 ( 0.000 4.430 -3.386) 5.576 9.556 ( 0.000 1.756 3.260) 3.703 9.747 ( 0.000 -3.164 -0.231) 3.172 9.808 ( 0.000 0.086 -2.352) 2.353 9.956 ( 0.000 -6.360 -5.600) 8.474 10.421 ( 0.000 4.039 8.753) 9.640 10.710 ( 0.000 -3.605 14.575) 15.014 10.901 ( 0.000 9.156 -9.701) 13.340 11.386 ( 0.000 -4.368 -13.768) 14.444 15.045 ( 0.000 1.628 21.409) 21.471 15.266 ( 0.000 -4.124 13.734) 14.340 15.667 ( 0.000 1.108 -8.778) 8.847 15.737 ( 0.000 -0.803 -8.145) 8.184 20.337 ( 0.000 2.849 7.885) 8.384 20.562 ( 0.000 -0.797 -3.572) 3.660 20.652 ( 0.000 -0.275 3.076) 3.089 20.791 ( 0.000 -6.529 -2.468) 6.980 22.236 ( 0.000 -1.486 0.905) 1.740 22.273 ( 0.000 -1.462 -0.960) 1.749 22.386 ( 0.000 4.059 0.094) 4.060 22.480 ( 0.000 0.293 -3.708) 3.720 23.694 ( 0.000 2.693 3.076) 4.088 23.816 ( 0.000 3.165 -0.473) 3.201 23.846 ( 0.000 -2.462 -4.338) 4.988 23.966 ( 0.000 0.486 -7.366) 7.382 ======================= Grid point 148 (54/72) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 5.863 -1.599 4.801) 7.745 1.971 ( 4.199 -7.622 1.680) 8.863 2.173 ( 6.654 -4.137 9.952) 12.667 2.264 ( 5.458 -6.179 5.611) 9.973 2.445 ( -1.017 4.921 3.540) 6.147 2.499 ( -1.813 1.759 0.489) 2.573 2.784 ( -0.845 3.657 5.277) 6.476 2.875 ( 3.265 3.243 -0.573) 4.638 2.940 ( -0.761 -3.425 4.672) 5.843 3.069 ( 0.943 2.454 -0.478) 2.672 3.166 ( -2.406 4.440 0.923) 5.133 3.242 ( -4.256 -0.322 3.823) 5.730 3.353 ( 0.565 4.266 -0.904) 4.397 3.417 ( -0.224 3.297 3.222) 4.615 3.620 ( -0.259 2.832 6.847) 7.414 3.686 ( 0.070 4.086 -0.515) 4.119 3.764 ( -1.307 -0.085 -5.909) 6.053 3.934 ( 0.043 -1.708 3.812) 4.177 4.011 ( 3.793 1.227 5.263) 6.602 4.206 ( 0.779 -1.712 -0.915) 2.091 4.218 ( -2.862 -2.350 -1.157) 3.880 4.312 ( -0.277 0.978 2.389) 2.596 4.479 ( 7.151 -0.418 -5.519) 9.043 4.543 ( 3.858 -1.795 -11.213) 11.993 4.760 ( 2.035 -1.949 0.077) 2.819 4.993 ( 8.730 -3.150 -2.461) 9.602 5.091 ( 3.440 1.505 -0.571) 3.798 5.242 ( -1.633 -1.840 -2.337) 3.393 5.399 ( 1.577 0.753 3.017) 3.486 5.604 ( 0.796 -4.635 2.181) 5.184 5.826 ( -4.099 1.795 -4.133) 6.092 5.944 ( 0.267 2.187 -5.003) 5.466 6.185 ( -1.310 -2.046 0.789) 2.555 6.327 ( 2.702 4.016 -1.647) 5.113 6.444 ( 0.357 1.758 -4.003) 4.387 6.542 ( 0.143 3.733 -4.460) 5.818 6.841 ( 1.819 -6.181 3.450) 7.309 6.937 ( 1.971 -5.871 -1.070) 6.285 7.099 ( -5.036 -0.027 1.668) 5.305 7.166 ( -1.883 0.332 -0.757) 2.056 7.454 ( 0.265 1.839 2.780) 3.343 7.589 ( 0.106 -3.025 -2.878) 4.177 7.728 ( 0.881 1.304 0.741) 1.740 7.752 ( 0.518 0.934 0.222) 1.091 8.949 ( -6.719 -2.832 3.474) 8.077 9.070 ( -6.904 -3.296 -0.128) 7.651 9.183 ( -2.592 5.420 2.698) 6.586 9.329 ( -6.215 6.018 -2.741) 9.075 9.576 ( 3.759 -0.024 4.011) 5.497 9.777 ( 2.532 -3.030 0.502) 3.981 9.874 ( 5.963 -0.412 -4.270) 7.346 9.979 ( 2.239 -4.913 -5.206) 7.500 10.389 ( -2.897 3.924 9.761) 10.912 10.667 ( -4.069 -3.484 15.529) 16.427 10.880 ( -1.697 8.318 -10.419) 13.439 11.339 ( -4.506 -4.243 -13.745) 15.074 15.045 ( -0.023 1.352 21.546) 21.588 15.223 ( -3.596 -3.193 15.789) 16.505 15.675 ( 0.782 0.931 -9.175) 9.256 15.748 ( 0.748 -0.952 -9.297) 9.376 20.325 ( -0.747 2.283 8.995) 9.310 20.547 ( -4.239 -2.618 5.221) 7.217 20.639 ( 3.569 1.600 -3.546) 5.280 20.866 ( 4.628 -5.375 -7.212) 10.116 22.247 ( 1.127 -1.235 1.132) 2.019 22.295 ( 1.896 -1.466 -0.862) 2.547 22.388 ( 0.135 3.557 0.154) 3.563 22.483 ( 0.139 0.031 -3.591) 3.594 23.693 ( -0.169 2.382 2.920) 3.772 23.807 ( -0.810 3.199 -0.210) 3.306 23.841 ( -0.419 -2.354 -4.254) 4.880 23.954 ( -1.048 0.438 -6.970) 7.062 ======================= Grid point 149 (55/72) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 5.811 -0.919 5.974) 8.385 1.999 ( 0.832 -3.622 9.928) 10.601 2.258 ( -4.051 5.588 6.553) 9.517 2.344 ( -3.392 7.499 6.719) 10.624 2.484 ( 10.830 -7.610 1.880) 13.369 2.595 ( 12.076 -5.924 3.480) 13.893 2.804 ( 0.977 -2.532 2.285) 3.548 2.896 ( -0.477 -0.933 4.890) 5.001 2.978 ( 4.890 4.987 0.198) 6.987 3.086 ( 1.641 3.410 -0.145) 3.787 3.134 ( 0.463 1.347 -3.522) 3.799 3.252 ( 4.070 2.084 0.178) 4.576 3.360 ( 0.163 3.305 -2.009) 3.871 3.450 ( 2.849 2.540 -3.079) 4.904 3.559 ( -4.346 3.183 0.143) 5.388 3.718 ( -1.025 0.285 -6.510) 6.596 3.727 ( 0.527 -0.340 1.094) 1.261 3.821 ( -8.053 -2.158 0.148) 8.339 4.002 ( -6.184 1.432 1.174) 6.456 4.125 ( -5.670 -0.214 -2.318) 6.130 4.223 ( 0.110 -2.081 1.063) 2.340 4.320 ( 2.332 0.691 1.308) 2.761 4.532 ( -3.158 -3.172 -8.416) 9.532 4.624 ( 3.503 -1.338 -12.373) 12.929 4.952 ( 11.861 0.239 8.890) 14.824 5.108 ( 3.062 -2.912 1.045) 4.353 5.235 ( 6.599 -0.068 -0.262) 6.605 5.273 ( 7.250 0.230 0.261) 7.259 5.437 ( 2.489 1.589 -0.968) 3.107 5.607 ( -0.730 -2.690 1.388) 3.114 5.733 ( -3.726 3.504 -0.296) 5.123 5.934 ( -1.434 -0.226 -3.079) 3.404 6.196 ( 2.313 -1.226 5.268) 5.882 6.356 ( 0.835 4.329 3.592) 5.687 6.492 ( 4.153 0.036 -4.882) 6.410 6.603 ( 4.662 0.853 -4.574) 6.586 6.860 ( 0.115 -5.224 3.145) 6.098 6.971 ( 2.103 -7.451 -2.370) 8.097 7.019 ( -2.266 -0.529 2.230) 3.223 7.152 ( 0.347 -1.085 -3.019) 3.227 7.451 ( -0.540 2.288 2.935) 3.760 7.577 ( -1.235 -0.182 -2.362) 2.671 7.723 ( -2.217 1.670 0.963) 2.938 7.735 ( -2.156 1.762 0.663) 2.863 8.813 ( -5.346 -2.520 1.796) 6.177 8.919 ( -6.655 -2.683 -1.473) 7.325 9.066 ( -8.072 4.932 -0.481) 9.472 9.134 ( -11.341 4.683 -3.046) 12.643 9.712 ( 8.351 0.149 5.328) 9.907 9.841 ( 3.403 -2.049 2.076) 4.482 10.017 ( 6.654 -0.615 -6.086) 9.039 10.044 ( 3.888 -2.392 -5.379) 7.055 10.322 ( -2.759 3.117 12.048) 12.746 10.549 ( -7.068 -2.680 16.457) 18.109 10.849 ( -0.787 5.434 -11.453) 12.701 11.206 ( -8.113 -3.709 -13.554) 16.226 15.047 ( 0.275 0.740 21.751) 21.766 15.145 ( -3.494 -1.644 19.071) 19.458 15.697 ( 1.206 0.527 -10.062) 10.148 15.756 ( -0.062 -0.862 -10.841) 10.876 20.319 ( 0.267 1.437 10.946) 11.043 20.453 ( -4.134 -1.335 10.714) 11.562 20.748 ( 5.920 1.065 -9.008) 10.832 20.936 ( 1.767 -3.873 -12.133) 12.858 22.281 ( 2.036 -0.690 1.579) 2.667 22.341 ( 2.238 -1.156 -0.269) 2.533 22.390 ( 0.132 2.123 -0.165) 2.134 22.481 ( -0.459 -0.448 -3.256) 3.318 23.689 ( -0.187 1.568 2.472) 2.934 23.787 ( -1.039 3.530 0.490) 3.712 23.832 ( -0.364 -2.337 -4.257) 4.870 23.927 ( -1.483 0.404 -5.954) 6.149 ======================= Grid point 150 (56/72) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 4.656 1.407 6.003) 7.726 2.044 ( 3.002 1.659 8.458) 9.127 2.138 ( -5.973 3.445 7.088) 9.889 2.253 ( -3.673 7.413 8.987) 12.215 2.661 ( 5.449 -6.891 2.730) 9.199 2.750 ( -2.566 -6.716 4.465) 8.463 2.826 ( 4.796 -3.733 0.504) 6.098 2.992 ( 7.073 1.383 1.606) 7.383 3.031 ( 0.827 -0.028 -3.761) 3.851 3.119 ( 1.369 2.371 -0.253) 2.750 3.246 ( 6.100 6.208 0.181) 8.705 3.289 ( -1.455 2.509 -1.329) 3.190 3.392 ( -0.519 -0.449 -2.013) 2.127 3.464 ( 5.375 3.483 -0.369) 6.415 3.550 ( -1.551 1.349 0.110) 2.059 3.636 ( -0.192 -0.532 -3.490) 3.536 3.724 ( -1.749 0.687 -3.645) 4.101 3.758 ( -0.019 -0.976 -5.779) 5.861 3.815 ( -7.829 2.520 -3.390) 8.896 3.946 ( -9.883 1.409 -8.208) 12.924 4.251 ( 2.215 -4.395 4.647) 6.769 4.354 ( -1.622 -0.427 1.373) 2.168 4.502 ( 3.177 -5.973 -3.376) 7.561 4.632 ( -2.721 -3.126 -8.891) 9.809 5.090 ( 3.870 2.210 2.814) 5.271 5.155 ( -0.819 2.425 -0.657) 2.642 5.312 ( 3.744 2.464 -4.186) 6.133 5.391 ( -1.508 2.231 -4.306) 5.078 5.544 ( 5.799 -2.317 3.369) 7.095 5.639 ( 8.578 -1.847 -0.375) 8.783 5.701 ( -1.522 0.233 4.888) 5.125 5.839 ( -8.013 -1.188 -0.789) 8.139 6.278 ( 5.105 1.267 8.805) 10.256 6.368 ( -0.871 4.283 8.252) 9.338 6.592 ( 4.754 -1.600 -3.129) 5.912 6.668 ( 0.462 -1.090 -2.599) 2.856 6.870 ( 0.766 -3.168 3.017) 4.441 6.989 ( -0.246 -2.643 2.693) 3.781 7.029 ( 1.826 -6.974 -3.133) 7.861 7.167 ( 0.814 -1.436 -4.476) 4.771 7.445 ( 0.327 -0.945 2.607) 2.792 7.555 ( -0.440 0.572 -1.736) 1.880 7.643 ( -3.893 3.585 2.122) 5.701 7.677 ( -2.738 2.915 0.456) 4.025 8.768 ( 1.519 -0.403 -0.999) 1.862 8.841 ( -0.240 0.287 -3.404) 3.425 8.887 ( -8.127 2.475 -1.945) 8.715 8.923 ( -7.701 3.026 -3.933) 9.161 9.870 ( 5.321 0.086 4.899) 7.233 9.904 ( 2.223 -0.319 3.534) 4.187 10.084 ( 0.408 -1.300 -3.518) 3.772 10.126 ( 2.601 0.466 -5.434) 6.042 10.312 ( 2.061 1.085 12.421) 12.638 10.401 ( -6.437 -1.083 15.374) 16.703 10.879 ( 4.351 1.074 -12.361) 13.148 11.024 ( -8.840 -2.242 -13.114) 15.974 15.057 ( 0.793 0.015 21.734) 21.748 15.089 ( -1.896 -0.443 20.950) 21.040 15.721 ( 1.072 -0.099 -10.792) 10.846 15.747 ( -0.728 -0.311 -11.433) 11.460 20.337 ( 1.400 0.514 12.365) 12.455 20.383 ( -2.633 -0.135 12.427) 12.704 20.862 ( 4.747 -0.156 -12.480) 13.353 20.934 ( -1.867 -1.847 -13.856) 14.103 22.324 ( 1.973 0.029 1.787) 2.663 22.358 ( -0.770 0.619 1.728) 1.990 22.410 ( 1.682 -1.126 -1.956) 2.815 22.462 ( -1.186 -0.443 -2.878) 3.144 23.686 ( -0.069 0.728 1.964) 2.095 23.770 ( -0.483 4.052 1.209) 4.257 23.828 ( -0.034 -2.589 -4.619) 5.295 23.901 ( -0.790 0.560 -4.846) 4.942 ======================= Grid point 154 (57/72) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.000 1.078 -0.206) 1.097 1.745 ( 0.000 -5.999 -2.521) 6.507 2.052 ( 0.000 -2.750 7.536) 8.022 2.068 ( 0.000 -4.217 5.613) 7.021 2.504 ( 0.000 2.625 3.421) 4.313 2.545 ( 0.000 -1.068 1.044) 1.493 2.794 ( 0.000 0.697 4.244) 4.301 2.837 ( 0.000 -3.529 1.772) 3.949 3.104 ( 0.000 9.756 1.891) 9.937 3.127 ( 0.000 3.694 5.412) 6.553 3.247 ( 0.000 0.518 7.807) 7.824 3.307 ( 0.000 -2.814 3.770) 4.704 3.445 ( 0.000 4.588 0.612) 4.629 3.468 ( 0.000 1.540 3.613) 3.928 3.653 ( 0.000 4.477 8.659) 9.748 3.737 ( 0.000 -2.794 12.321) 12.634 3.815 ( 0.000 0.036 -8.160) 8.160 3.826 ( 0.000 -0.144 -4.500) 4.502 4.044 ( 0.000 3.879 4.064) 5.618 4.099 ( 0.000 -3.213 4.212) 5.297 4.241 ( 0.000 0.360 -1.986) 2.019 4.300 ( 0.000 -3.498 -2.134) 4.098 4.414 ( 0.000 1.697 -2.411) 2.949 4.433 ( 0.000 -1.467 -4.195) 4.444 4.772 ( 0.000 -0.589 -5.750) 5.780 4.794 ( 0.000 -2.665 -5.266) 5.902 5.119 ( 0.000 3.799 -1.737) 4.178 5.194 ( 0.000 -4.183 -0.926) 4.284 5.408 ( 0.000 2.116 0.285) 2.135 5.482 ( 0.000 -5.638 1.134) 5.750 5.902 ( 0.000 1.212 -0.794) 1.449 5.933 ( 0.000 -1.059 -0.741) 1.292 6.268 ( 0.000 5.466 -10.008) 11.403 6.327 ( 0.000 0.993 -10.501) 10.547 6.505 ( 0.000 2.743 2.224) 3.532 6.578 ( 0.000 -3.880 -0.127) 3.882 6.754 ( 0.000 1.307 0.925) 1.601 6.814 ( 0.000 -4.515 -1.048) 4.635 7.187 ( 0.000 0.793 2.264) 2.399 7.197 ( 0.000 -0.202 1.567) 1.580 7.456 ( 0.000 0.705 -0.610) 0.932 7.493 ( 0.000 -3.594 -2.030) 4.128 7.733 ( 0.000 1.033 1.154) 1.549 7.747 ( 0.000 -0.340 0.785) 0.855 9.034 ( 0.000 1.060 2.036) 2.295 9.076 ( 0.000 -3.426 0.248) 3.435 9.316 ( 0.000 6.953 4.433) 8.246 9.410 ( 0.000 -1.940 0.566) 2.021 9.603 ( 0.000 3.438 -0.072) 3.439 9.678 ( 0.000 -4.137 -1.604) 4.437 9.810 ( 0.000 0.571 -1.980) 2.060 9.849 ( 0.000 -4.030 -3.024) 5.038 10.517 ( 0.000 5.796 11.893) 13.230 10.624 ( 0.000 -5.399 14.336) 15.319 11.091 ( 0.000 10.372 -12.517) 16.256 11.267 ( 0.000 -8.148 -13.547) 15.809 15.093 ( 0.000 3.556 19.783) 20.100 15.175 ( 0.000 -5.009 16.932) 17.658 15.691 ( 0.000 1.393 -8.718) 8.829 15.717 ( 0.000 -1.281 -8.482) 8.578 20.416 ( 0.000 5.424 5.445) 7.686 20.519 ( 0.000 -4.477 0.055) 4.477 20.649 ( 0.000 0.226 1.779) 1.794 20.679 ( 0.000 -3.852 1.181) 4.029 22.226 ( 0.000 0.338 0.209) 0.398 22.244 ( 0.000 -1.457 -0.621) 1.583 22.450 ( 0.000 2.497 -1.743) 3.045 22.479 ( 0.000 -0.687 -2.827) 2.910 23.746 ( 0.000 2.685 -0.512) 2.733 23.796 ( 0.000 -2.721 -2.813) 3.914 23.893 ( 0.000 4.314 -2.669) 5.072 23.954 ( 0.000 -1.956 -5.570) 5.903 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 5.805 0.288 1.593) 6.026 1.865 ( 8.358 -3.221 0.104) 8.957 2.094 ( 6.575 -2.420 7.828) 10.505 2.136 ( 6.904 -5.435 5.402) 10.314 2.488 ( -1.812 1.394 3.232) 3.959 2.577 ( 1.865 2.226 -0.275) 2.917 2.789 ( -1.027 1.514 6.066) 6.336 2.851 ( 0.107 -3.973 3.602) 5.363 3.013 ( -2.403 3.438 5.099) 6.602 3.123 ( -0.414 3.660 2.593) 4.504 3.226 ( -4.070 2.299 0.449) 4.696 3.256 ( -2.428 0.514 0.660) 2.568 3.441 ( -0.403 4.166 1.180) 4.349 3.484 ( 2.548 1.983 2.990) 4.401 3.622 ( 1.017 0.225 7.123) 7.199 3.758 ( -2.758 1.654 -2.154) 3.871 3.789 ( -3.418 0.590 -5.319) 6.350 3.868 ( 0.725 -3.535 1.383) 3.865 4.039 ( -0.874 2.094 3.751) 4.383 4.141 ( -4.426 -3.780 0.800) 5.876 4.205 ( 6.977 0.519 3.140) 7.668 4.341 ( 0.639 1.222 0.835) 1.613 4.465 ( 5.866 -1.046 -7.660) 9.704 4.518 ( 4.457 -0.484 -8.444) 9.560 4.729 ( 2.725 -0.791 1.794) 3.357 4.936 ( 8.087 -2.258 -1.633) 8.553 5.119 ( 0.592 1.221 -1.407) 1.955 5.207 ( 1.652 -1.536 -2.048) 3.047 5.425 ( 2.449 2.414 2.387) 4.186 5.504 ( 1.934 -5.250 1.743) 5.860 5.835 ( -3.515 0.082 -1.125) 3.692 5.978 ( 0.192 0.260 -0.434) 0.541 6.217 ( -0.835 4.373 -6.729) 8.069 6.415 ( 4.128 2.588 -8.505) 9.802 6.464 ( -2.284 2.418 1.363) 3.594 6.554 ( -1.094 -3.381 -2.979) 4.637 6.768 ( 1.559 -0.342 1.126) 1.953 6.828 ( 0.191 -4.864 -1.324) 5.045 7.085 ( -6.033 -0.823 1.772) 6.341 7.156 ( -3.578 -0.760 -0.749) 3.734 7.478 ( 2.009 0.531 1.699) 2.684 7.565 ( 3.721 0.021 -1.845) 4.154 7.746 ( 0.823 0.577 1.250) 1.604 7.757 ( 0.656 -0.126 1.113) 1.298 8.918 ( -7.783 -0.665 1.999) 8.063 9.010 ( -6.331 -1.989 -1.017) 6.714 9.303 ( -3.284 5.705 3.967) 7.686 9.397 ( -5.441 0.191 0.643) 5.483 9.597 ( 3.208 3.366 -0.062) 4.650 9.695 ( 2.646 -5.610 -1.715) 6.436 9.861 ( 5.218 -0.646 -2.596) 5.864 9.909 ( 4.535 -1.751 -2.752) 5.586 10.480 ( -3.350 5.469 12.549) 14.093 10.585 ( -3.660 -5.097 14.621) 15.910 11.056 ( -3.198 9.662 -12.389) 16.033 11.225 ( -4.047 -7.747 -13.485) 16.070 15.084 ( -0.771 2.901 20.273) 20.494 15.152 ( -2.019 -4.005 18.100) 18.647 15.697 ( 0.540 1.331 -9.173) 9.285 15.725 ( 0.648 -1.369 -9.329) 9.451 20.384 ( -2.032 3.545 7.681) 8.701 20.485 ( -3.189 -3.633 5.750) 7.512 20.676 ( 4.249 2.254 -2.932) 5.633 20.764 ( 5.107 -4.517 -3.901) 7.855 22.237 ( 1.240 0.044 0.572) 1.367 22.268 ( 2.042 -1.101 -0.612) 2.399 22.445 ( -0.461 2.331 -1.505) 2.813 22.476 ( -0.243 -0.841 -2.738) 2.874 23.741 ( -0.481 2.633 -0.482) 2.720 23.791 ( -0.435 -2.711 -2.747) 3.884 23.884 ( -0.830 4.160 -2.340) 4.845 23.943 ( -1.038 -1.890 -5.139) 5.573 ======================= Grid point 156 (59/72) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 5.511 -1.044 6.326) 8.455 2.001 ( 5.926 2.453 4.959) 8.107 2.280 ( 3.777 -3.299 5.414) 7.380 2.353 ( 12.234 -1.950 5.179) 13.427 2.443 ( -0.596 -0.326 5.496) 5.537 2.581 ( 0.205 3.694 1.400) 3.955 2.773 ( -0.269 0.925 3.676) 3.800 2.842 ( 1.756 -4.206 2.237) 5.078 3.041 ( 2.691 1.223 -0.211) 2.963 3.111 ( -3.393 -0.372 -2.238) 4.082 3.209 ( 7.340 4.833 0.071) 8.788 3.284 ( 4.277 0.581 -3.467) 5.536 3.426 ( -0.814 3.116 1.148) 3.419 3.515 ( -0.700 2.318 0.042) 2.422 3.621 ( -2.564 4.279 2.166) 5.438 3.702 ( -2.352 -1.071 -0.602) 2.653 3.711 ( -3.044 -3.237 -0.240) 4.450 3.792 ( -4.718 -0.404 -3.065) 5.641 4.001 ( -4.124 -0.812 1.941) 4.630 4.081 ( -1.317 -2.527 1.242) 3.108 4.250 ( -3.989 2.580 -1.243) 4.911 4.329 ( -0.421 0.434 0.867) 1.057 4.491 ( -4.769 -0.784 -8.967) 10.187 4.575 ( 2.398 -2.904 -13.138) 13.667 4.961 ( 14.214 1.020 6.590) 15.701 5.041 ( 4.377 -3.433 2.037) 5.923 5.245 ( 10.121 0.661 0.112) 10.143 5.275 ( 5.576 -0.016 0.050) 5.577 5.483 ( 1.762 3.177 1.728) 4.023 5.551 ( 1.878 -3.180 3.743) 5.258 5.762 ( -3.726 -0.081 -0.992) 3.856 5.929 ( -3.464 -0.341 -1.883) 3.957 6.249 ( 2.915 5.523 1.900) 6.528 6.427 ( 0.402 2.969 1.933) 3.566 6.492 ( 4.047 -1.386 -3.276) 5.388 6.576 ( 1.574 -2.404 -3.584) 4.594 6.797 ( 1.111 -1.599 -1.395) 2.396 6.839 ( 1.907 -4.803 -2.365) 5.683 6.985 ( -3.613 -1.905 1.302) 4.287 7.119 ( 0.314 -1.231 -3.806) 4.012 7.493 ( -1.062 1.550 3.263) 3.765 7.601 ( -0.260 1.514 -1.347) 2.043 7.740 ( -1.648 0.189 1.795) 2.444 7.755 ( -1.318 0.503 1.552) 2.097 8.782 ( -4.378 -0.802 0.771) 4.517 8.881 ( -4.816 -1.055 -2.357) 5.465 9.156 ( -9.927 3.790 0.083) 10.626 9.191 ( -12.341 0.874 -1.329) 12.443 9.730 ( 7.936 2.065 2.893) 8.695 9.788 ( 5.462 -3.417 1.409) 6.595 10.000 ( 7.443 -0.890 -4.586) 8.788 10.013 ( 4.953 -0.651 -3.975) 6.384 10.395 ( -4.355 4.186 13.796) 15.061 10.484 ( -5.780 -3.956 14.971) 16.529 10.973 ( -4.279 7.287 -12.223) 14.860 11.109 ( -6.814 -6.387 -13.210) 16.178 15.068 ( -0.693 1.477 21.160) 21.223 15.108 ( -1.911 -2.035 20.034) 20.228 15.710 ( 0.615 0.815 -10.031) 10.083 15.737 ( 0.393 -1.020 -10.716) 10.771 20.354 ( -0.828 1.892 10.635) 10.833 20.421 ( -2.703 -1.833 10.262) 10.769 20.780 ( 5.025 2.284 -8.656) 10.267 20.856 ( 3.465 -3.942 -9.556) 10.902 22.276 ( 2.447 0.117 1.120) 2.693 22.318 ( 2.543 -0.987 -0.399) 2.757 22.428 ( -1.236 1.618 -0.854) 2.208 22.467 ( -0.624 -0.872 -2.604) 2.816 23.728 ( -0.610 2.533 -0.438) 2.642 23.781 ( -0.433 -2.744 -2.717) 3.886 23.863 ( -1.086 3.799 -1.578) 4.255 23.916 ( -1.374 -1.686 -4.133) 4.670 ======================= Grid point 157 (60/72) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 7.437 -0.110 6.842) 10.106 2.120 ( 4.363 4.035 2.998) 6.656 2.189 ( -7.747 1.384 7.806) 11.084 2.412 ( -2.412 8.068 5.013) 9.800 2.546 ( 5.919 -4.641 5.427) 9.275 2.615 ( -0.304 -6.311 5.015) 8.067 2.767 ( -0.614 -1.728 -0.755) 1.983 2.951 ( 6.001 -3.123 -4.280) 8.005 3.080 ( 2.122 2.959 3.230) 4.867 3.134 ( 4.756 -0.531 -0.268) 4.793 3.307 ( -3.777 0.754 0.895) 3.954 3.380 ( 4.696 6.685 -3.358) 8.833 3.420 ( -3.787 1.974 0.093) 4.271 3.489 ( 5.498 -3.193 -4.300) 7.675 3.606 ( -1.851 1.652 -0.055) 2.482 3.618 ( 2.313 1.145 -0.843) 2.715 3.705 ( -0.792 0.150 -2.613) 2.735 3.769 ( 2.936 -0.046 -2.544) 3.885 3.862 ( -8.006 1.637 -0.842) 8.215 3.963 ( -10.463 0.221 -3.332) 10.983 4.193 ( 0.688 -1.108 2.358) 2.694 4.322 ( -1.142 -2.929 -0.191) 3.149 4.411 ( -1.261 -2.081 -5.291) 5.823 4.561 ( -2.239 -3.109 -9.088) 9.863 5.135 ( 6.933 2.213 1.054) 7.354 5.196 ( 3.655 0.867 1.155) 3.930 5.353 ( -0.123 1.149 -4.739) 4.877 5.400 ( 2.350 -0.553 -2.818) 3.711 5.538 ( 3.637 1.374 2.575) 4.663 5.604 ( 7.430 -1.308 3.129) 8.168 5.690 ( -3.212 -1.171 3.616) 4.977 5.819 ( -7.863 -0.759 -0.073) 7.900 6.343 ( 5.130 4.470 7.133) 9.858 6.464 ( 1.879 5.855 4.933) 7.884 6.570 ( 1.556 -0.942 -0.534) 1.896 6.605 ( 1.726 -5.827 0.863) 6.138 6.821 ( 1.023 -1.870 -1.732) 2.747 6.886 ( 1.368 -4.246 -0.896) 4.550 6.926 ( -1.782 -3.627 -1.683) 4.378 7.150 ( 1.520 -0.502 -7.058) 7.238 7.448 ( -2.022 0.667 4.273) 4.774 7.579 ( -0.954 1.122 -1.228) 1.918 7.696 ( -1.982 1.794 2.201) 3.462 7.709 ( -2.015 0.518 1.696) 2.684 8.766 ( 3.023 0.043 -1.031) 3.194 8.850 ( 2.157 0.445 -3.827) 4.415 8.928 ( -10.308 1.405 -1.441) 10.503 8.968 ( -8.602 1.385 -3.539) 9.404 9.874 ( 4.211 0.283 4.103) 5.886 9.896 ( 4.815 -0.423 3.633) 6.047 10.066 ( -0.391 -0.555 -2.155) 2.259 10.130 ( 3.907 0.008 -5.528) 6.769 10.339 ( -0.421 1.590 12.636) 12.742 10.374 ( -3.952 -1.588 14.198) 14.823 10.912 ( -0.672 2.461 -12.283) 12.545 10.970 ( -5.686 -3.171 -12.829) 14.387 15.058 ( -0.223 0.060 21.755) 21.756 15.080 ( -0.684 -0.326 21.030) 21.043 15.720 ( 0.263 -0.049 -10.508) 10.512 15.741 ( 0.063 -0.203 -11.551) 11.553 20.347 ( 0.073 0.443 12.350) 12.359 20.380 ( -1.175 -0.196 12.042) 12.101 20.863 ( 2.679 0.367 -12.035) 12.335 20.898 ( 0.568 -1.603 -12.570) 12.685 22.331 ( 2.643 0.578 1.245) 2.978 22.360 ( 0.946 -0.512 0.403) 1.149 22.396 ( -1.607 -0.219 -0.478) 1.691 22.453 ( -0.619 -0.399 -2.691) 2.790 23.719 ( -0.274 2.481 -0.431) 2.533 23.775 ( -0.133 -2.876 -2.885) 4.076 23.845 ( -0.510 3.498 -0.914) 3.651 23.894 ( -0.653 -1.432 -3.244) 3.606 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 0.000 -7.495) 7.495 1.874 ( 0.000 0.000 7.495) 7.495 2.397 ( 0.000 0.000 -1.428) 1.428 2.397 ( 0.000 0.000 1.428) 1.428 2.436 ( 0.000 0.000 -8.115) 8.115 2.436 ( 0.000 0.000 8.115) 8.115 2.744 ( 0.000 0.000 -16.880) 16.880 2.744 ( 0.000 0.000 16.880) 16.880 2.992 ( 0.000 0.000 -3.599) 3.599 2.992 ( 0.000 0.000 3.599) 3.599 3.245 ( 0.000 0.000 -2.492) 2.492 3.245 ( 0.000 0.000 2.492) 2.492 3.449 ( 0.000 0.000 -3.711) 3.711 3.449 ( 0.000 0.000 3.711) 3.711 3.672 ( 0.000 0.000 -2.826) 2.826 3.672 ( 0.000 0.000 2.826) 2.826 3.867 ( 0.000 0.000 -4.707) 4.707 3.867 ( 0.000 0.000 4.707) 4.707 4.115 ( 0.000 0.000 -8.870) 8.870 4.115 ( 0.000 0.000 8.870) 8.870 4.321 ( 0.000 0.000 -4.194) 4.194 4.321 ( 0.000 0.000 4.194) 4.194 4.343 ( 0.000 0.000 -0.886) 0.886 4.343 ( 0.000 0.000 0.886) 0.886 4.759 ( 0.000 0.000 -2.225) 2.225 4.759 ( 0.000 0.000 2.225) 2.225 5.155 ( 0.000 0.000 -8.166) 8.166 5.155 ( 0.000 0.000 8.166) 8.166 5.571 ( 0.000 0.000 -13.409) 13.409 5.571 ( 0.000 0.000 13.409) 13.409 5.781 ( 0.000 0.000 -7.510) 7.510 5.781 ( 0.000 0.000 7.510) 7.510 6.298 ( 0.000 0.000 -2.843) 2.843 6.298 ( 0.000 0.000 2.843) 2.843 6.375 ( 0.000 0.000 -6.161) 6.161 6.375 ( 0.000 0.000 6.161) 6.161 6.931 ( 0.000 0.000 -1.159) 1.159 6.931 ( 0.000 0.000 1.159) 1.159 7.180 ( 0.000 0.000 -0.853) 0.853 7.180 ( 0.000 0.000 0.853) 0.853 7.552 ( 0.000 0.000 -5.519) 5.519 7.552 ( 0.000 0.000 5.519) 5.519 7.712 ( 0.000 0.000 -0.326) 0.326 7.712 ( 0.000 0.000 0.326) 0.326 9.187 ( 0.000 0.000 -5.287) 5.287 9.187 ( 0.000 0.000 5.287) 5.287 9.192 ( 0.000 0.000 -3.801) 3.801 9.192 ( 0.000 0.000 3.801) 3.801 9.672 ( 0.000 0.000 -7.391) 7.391 9.672 ( 0.000 0.000 7.391) 7.391 9.875 ( 0.000 0.000 -6.368) 6.368 9.875 ( 0.000 0.000 6.368) 6.368 10.573 ( 0.000 0.000 -10.324) 10.324 10.573 ( 0.000 0.000 10.324) 10.324 11.109 ( 0.000 0.000 -16.314) 16.314 11.109 ( 0.000 0.000 16.314) 16.314 15.413 ( 0.000 0.000 -14.663) 14.663 15.413 ( 0.000 0.000 14.663) 14.663 15.549 ( 0.000 0.000 -10.544) 10.544 15.549 ( 0.000 0.000 10.544) 10.544 20.462 ( 0.000 0.000 -6.006) 6.006 20.462 ( 0.000 0.000 6.006) 6.006 20.747 ( 0.000 0.000 -5.047) 5.047 20.747 ( 0.000 0.000 5.047) 5.047 22.272 ( 0.000 0.000 -0.590) 0.590 22.272 ( 0.000 0.000 0.590) 0.590 22.394 ( 0.000 0.000 -3.587) 3.587 22.394 ( 0.000 0.000 3.587) 3.587 23.796 ( 0.000 0.000 -6.988) 6.988 23.796 ( 0.000 0.000 6.988) 6.988 23.804 ( 0.000 0.000 -1.982) 1.982 23.804 ( 0.000 0.000 1.982) 1.982 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.847 0.000 -9.513) 12.332 1.973 ( 7.847 0.000 9.513) 12.332 2.340 ( -4.233 0.000 -2.749) 5.048 2.340 ( -4.233 0.000 2.749) 5.048 2.476 ( 4.804 0.000 -6.625) 8.183 2.476 ( 4.804 0.000 6.625) 8.183 2.822 ( 5.967 0.000 -14.167) 15.373 2.822 ( 5.967 0.000 14.167) 15.373 2.999 ( 0.227 0.000 -5.437) 5.442 2.999 ( 0.227 0.000 5.437) 5.442 3.197 ( -3.870 0.000 -5.401) 6.644 3.197 ( -3.870 0.000 5.401) 6.644 3.396 ( -3.761 0.000 -4.015) 5.502 3.396 ( -3.761 0.000 4.015) 5.502 3.621 ( -3.976 0.000 -6.749) 7.832 3.621 ( -3.976 0.000 6.749) 7.832 3.836 ( -1.562 0.000 -10.377) 10.494 3.836 ( -1.562 0.000 10.377) 10.494 4.137 ( -0.750 0.000 -5.993) 6.040 4.137 ( -0.750 0.000 5.993) 6.040 4.318 ( 1.196 0.000 -8.094) 8.182 4.318 ( 1.196 0.000 8.094) 8.182 4.403 ( 2.323 0.000 -5.056) 5.564 4.403 ( 2.323 0.000 5.056) 5.564 4.874 ( 11.755 0.000 -7.639) 14.020 4.874 ( 11.755 0.000 7.639) 14.020 5.173 ( 1.392 0.000 -5.459) 5.634 5.173 ( 1.392 0.000 5.459) 5.634 5.561 ( -1.701 0.000 -11.481) 11.607 5.561 ( -1.701 0.000 11.481) 11.607 5.790 ( 1.214 0.000 -7.617) 7.713 5.790 ( 1.214 0.000 7.617) 7.713 6.321 ( 2.029 0.000 -3.434) 3.989 6.321 ( 2.029 0.000 3.434) 3.989 6.356 ( -0.063 0.000 -6.252) 6.253 6.356 ( -0.063 0.000 6.252) 6.253 6.981 ( 3.750 0.000 -2.242) 4.369 6.981 ( 3.750 0.000 2.242) 4.369 7.123 ( -4.453 0.000 -1.654) 4.750 7.123 ( -4.453 0.000 1.654) 4.750 7.539 ( -1.205 0.000 -5.317) 5.452 7.539 ( -1.205 0.000 5.317) 5.452 7.723 ( 0.462 0.000 -0.857) 0.973 7.723 ( 0.462 0.000 0.857) 0.973 9.118 ( -6.827 0.000 -4.835) 8.366 9.118 ( -6.827 0.000 4.835) 8.366 9.133 ( -5.344 0.000 -4.082) 6.725 9.133 ( -5.344 0.000 4.082) 6.725 9.724 ( 5.051 0.000 -8.057) 9.510 9.724 ( 5.051 0.000 8.057) 9.510 9.896 ( 1.912 0.000 -5.877) 6.180 9.896 ( 1.912 0.000 5.877) 6.180 10.561 ( -1.035 0.000 -10.921) 10.970 10.561 ( -1.035 0.000 10.921) 10.970 11.061 ( -4.573 0.000 -16.307) 16.936 11.061 ( -4.573 0.000 16.307) 16.936 15.417 ( 0.408 0.000 -14.867) 14.873 15.417 ( 0.408 0.000 14.867) 14.873 15.535 ( -1.268 0.000 -11.938) 12.005 15.535 ( -1.268 0.000 11.938) 12.005 20.481 ( 1.757 0.000 -7.498) 7.701 20.481 ( 1.757 0.000 7.498) 7.701 20.737 ( -0.992 0.000 -8.236) 8.296 20.737 ( -0.992 0.000 8.236) 8.296 22.288 ( 1.446 0.000 -1.176) 1.864 22.288 ( 1.446 0.000 1.176) 1.864 22.401 ( 0.602 0.000 -3.520) 3.571 22.401 ( 0.602 0.000 3.520) 3.571 23.791 ( -0.376 0.000 -6.689) 6.699 23.791 ( -0.376 0.000 6.689) 6.699 23.798 ( -0.542 0.000 -2.127) 2.195 23.798 ( -0.542 0.000 2.127) 2.195 ======================= Grid point 179 (63/72) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 3.786 0.000 -10.180) 10.861 2.103 ( 3.786 0.000 10.180) 10.861 2.256 ( -3.687 0.000 -3.330) 4.968 2.256 ( -3.687 0.000 3.330) 4.968 2.661 ( 11.801 0.000 -5.560) 13.046 2.661 ( 11.801 0.000 5.560) 13.046 2.919 ( 1.767 0.000 -8.010) 8.202 2.919 ( 1.767 0.000 8.010) 8.202 3.001 ( 1.048 0.000 -5.988) 6.079 3.001 ( 1.048 0.000 5.988) 6.079 3.140 ( -0.220 0.000 -8.275) 8.278 3.140 ( -0.220 0.000 8.275) 8.278 3.354 ( 0.366 0.000 -6.628) 6.638 3.354 ( 0.366 0.000 6.628) 6.638 3.545 ( -2.616 0.000 -6.064) 6.604 3.545 ( -2.616 0.000 6.064) 6.604 3.799 ( -3.062 0.000 -3.672) 4.781 3.799 ( -3.062 0.000 3.672) 4.781 4.012 ( -10.598 0.000 -3.878) 11.285 4.012 ( -10.598 0.000 3.878) 11.285 4.390 ( 4.406 0.000 -8.226) 9.332 4.390 ( 4.406 0.000 8.226) 9.332 4.422 ( 0.963 0.000 -7.670) 7.730 4.422 ( 0.963 0.000 7.670) 7.730 5.157 ( 11.442 0.000 -8.721) 14.386 5.157 ( 11.442 0.000 8.721) 14.386 5.189 ( -0.202 0.000 -3.463) 3.469 5.189 ( -0.202 0.000 3.463) 3.469 5.505 ( -1.323 0.000 -7.121) 7.243 5.505 ( -1.323 0.000 7.121) 7.243 5.832 ( 1.921 0.000 -7.091) 7.347 5.832 ( 1.921 0.000 7.091) 7.347 6.374 ( 3.308 0.000 -5.816) 6.691 6.374 ( 3.308 0.000 5.816) 6.691 6.424 ( 6.130 0.000 -8.313) 10.329 6.424 ( 6.130 0.000 8.313) 10.329 7.045 ( 2.093 0.000 -3.508) 4.085 7.045 ( 2.093 0.000 3.508) 4.085 7.049 ( -1.822 0.000 -3.395) 3.853 7.049 ( -1.822 0.000 3.395) 3.853 7.512 ( -1.017 0.000 -4.454) 4.569 7.512 ( -1.017 0.000 4.455) 4.569 7.704 ( -2.626 0.000 -0.618) 2.697 7.704 ( -2.626 0.000 0.618) 2.697 8.943 ( -8.974 0.000 -4.965) 10.256 8.943 ( -8.974 0.000 4.965) 10.256 8.980 ( -8.749 0.000 -2.354) 9.060 8.980 ( -8.749 0.000 2.354) 9.060 9.862 ( 7.486 0.000 -7.771) 10.790 9.862 ( 7.486 0.000 7.771) 10.790 9.948 ( 2.915 0.000 -5.247) 6.002 9.948 ( 2.915 0.000 5.247) 6.002 10.545 ( 0.019 0.000 -12.269) 12.269 10.545 ( 0.019 0.000 12.269) 12.269 10.928 ( -8.138 0.000 -16.085) 18.026 10.928 ( -8.138 0.000 16.085) 18.026 15.429 ( 0.740 0.000 -15.294) 15.312 15.429 ( 0.740 0.000 15.294) 15.312 15.504 ( -1.648 0.000 -14.177) 14.272 15.504 ( -1.648 0.000 14.177) 14.272 20.530 ( 2.929 0.000 -10.354) 10.760 20.530 ( 2.929 0.000 10.354) 10.760 20.707 ( -1.934 0.000 -12.050) 12.205 20.707 ( -1.934 0.000 12.050) 12.205 22.327 ( 2.218 0.000 -1.870) 2.901 22.327 ( 2.218 0.000 1.870) 2.901 22.411 ( 0.193 0.000 -3.287) 3.292 22.411 ( 0.193 0.000 3.287) 3.292 23.782 ( -0.499 0.000 -5.857) 5.878 23.782 ( -0.499 0.000 5.857) 5.878 23.785 ( -0.666 0.000 -2.623) 2.706 23.785 ( -0.666 0.000 2.623) 2.706 ======================= Grid point 181 (64/72) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.651 0.000 -6.906) 7.101 2.150 ( 1.651 0.000 6.906) 7.101 2.192 ( -2.533 0.000 -4.819) 5.444 2.192 ( -2.533 0.000 4.819) 5.444 2.835 ( 4.177 0.000 -8.768) 9.712 2.835 ( 4.177 0.000 8.768) 9.712 2.896 ( -2.526 0.000 -4.521) 5.179 2.896 ( -2.526 0.000 4.521) 5.179 3.095 ( 6.347 0.000 -5.660) 8.504 3.095 ( 6.347 0.000 5.660) 8.504 3.161 ( 0.003 0.000 -4.637) 4.637 3.161 ( 0.003 0.000 4.637) 4.637 3.438 ( 8.627 0.000 -4.262) 9.622 3.438 ( 8.627 0.000 4.262) 9.622 3.543 ( 2.142 0.000 -5.244) 5.664 3.543 ( 2.142 0.000 5.244) 5.664 3.698 ( -5.846 0.000 -3.823) 6.985 3.698 ( -5.846 0.000 3.823) 6.985 3.747 ( -13.363 0.000 -5.360) 14.398 3.747 ( -13.363 0.000 5.360) 14.398 4.458 ( 1.801 0.000 -9.037) 9.215 4.458 ( 1.801 0.000 9.037) 9.215 4.461 ( 1.882 0.000 -6.547) 6.812 4.461 ( 1.882 0.000 6.547) 6.812 5.178 ( -0.030 0.000 -5.037) 5.037 5.178 ( -0.030 0.000 5.037) 5.037 5.211 ( -2.746 0.000 -8.561) 8.990 5.211 ( -2.746 0.000 8.561) 8.990 5.629 ( 10.510 0.000 -2.275) 10.754 5.629 ( 10.510 0.000 2.275) 10.754 5.806 ( -5.333 0.000 -3.866) 6.587 5.806 ( -5.333 0.000 3.866) 6.587 6.469 ( 5.306 0.000 -8.772) 10.252 6.469 ( 5.306 0.000 8.772) 10.252 6.525 ( 1.440 0.000 -9.286) 9.397 6.525 ( 1.440 0.000 9.286) 9.397 7.052 ( 1.412 0.000 -4.910) 5.109 7.052 ( 1.412 0.000 4.910) 5.109 7.069 ( 0.238 0.000 -4.985) 4.991 7.069 ( 0.238 0.000 4.985) 4.991 7.520 ( 2.519 0.000 -2.541) 3.578 7.520 ( 2.519 0.000 2.541) 3.578 7.615 ( -5.561 0.000 -0.706) 5.605 7.615 ( -5.561 0.000 0.706) 5.605 8.801 ( -3.595 0.000 -2.916) 4.629 8.801 ( -3.595 0.000 2.916) 4.629 8.821 ( -5.293 0.000 -0.641) 5.332 8.821 ( -5.293 0.000 0.641) 5.332 9.986 ( 3.525 0.000 -5.911) 6.882 9.986 ( 3.525 0.000 5.911) 6.882 10.000 ( 1.608 0.000 -5.158) 5.403 10.000 ( 1.608 0.000 5.158) 5.403 10.590 ( 5.019 0.000 -13.938) 14.814 10.590 ( 5.019 0.000 13.938) 14.814 10.744 ( -9.044 0.000 -15.360) 17.825 10.744 ( -9.044 0.000 15.360) 17.825 15.447 ( 1.026 0.000 -15.600) 15.634 15.447 ( 1.026 0.000 15.600) 15.634 15.472 ( -1.376 0.000 -15.398) 15.459 15.472 ( -1.376 0.000 15.398) 15.459 20.595 ( 3.225 0.000 -12.724) 13.126 20.595 ( 3.225 0.000 12.724) 13.126 20.658 ( -2.769 0.000 -13.533) 13.814 20.658 ( -2.769 0.000 13.533) 13.814 22.372 ( 2.000 0.000 -2.390) 3.116 22.372 ( 2.000 0.000 2.390) 3.116 22.404 ( -0.974 0.000 -2.875) 3.035 22.404 ( -0.974 0.000 2.875) 3.035 23.774 ( -0.227 0.000 -4.696) 4.702 23.774 ( -0.227 0.000 4.696) 4.702 23.774 ( -0.299 0.000 -3.521) 3.533 23.774 ( -0.299 0.000 3.521) 3.533 ======================= Grid point 189 (65/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 -6.616 -5.354) 8.511 1.794 ( 0.000 -6.616 5.354) 8.511 2.275 ( 0.000 -9.215 -1.392) 9.320 2.275 ( 0.000 -9.215 1.392) 9.320 2.491 ( 0.000 3.828 -0.694) 3.890 2.491 ( 0.000 3.828 0.694) 3.890 2.878 ( 0.000 8.586 -5.817) 10.371 2.878 ( 0.000 8.586 5.817) 10.371 2.936 ( 0.000 -1.065 -0.498) 1.176 2.936 ( 0.000 -1.065 0.498) 1.176 3.303 ( 0.000 4.802 -1.285) 4.971 3.303 ( 0.000 4.802 1.285) 4.971 3.504 ( 0.000 2.996 -4.306) 5.245 3.504 ( 0.000 2.996 4.306) 5.245 3.651 ( 0.000 -0.326 -1.788) 1.818 3.651 ( 0.000 -0.326 1.788) 1.818 3.891 ( 0.000 0.885 -4.277) 4.367 3.891 ( 0.000 0.885 4.277) 4.367 4.110 ( 0.000 0.007 -8.218) 8.218 4.110 ( 0.000 0.007 8.218) 8.218 4.282 ( 0.000 -2.856 -2.211) 3.611 4.282 ( 0.000 -2.856 2.211) 3.611 4.358 ( 0.000 0.648 -1.474) 1.610 4.358 ( 0.000 0.648 1.474) 1.610 4.744 ( 0.000 -1.185 -2.350) 2.632 4.744 ( 0.000 -1.185 2.350) 2.632 5.145 ( 0.000 -0.780 -6.967) 7.011 5.145 ( 0.000 -0.780 6.967) 7.011 5.549 ( 0.000 -2.531 -9.375) 9.710 5.549 ( 0.000 -2.531 9.375) 9.710 5.825 ( 0.000 4.352 -2.909) 5.235 5.825 ( 0.000 4.352 2.909) 5.235 6.204 ( 0.000 -4.719 -1.809) 5.054 6.204 ( 0.000 -4.719 1.809) 5.054 6.484 ( 0.000 6.196 -3.648) 7.190 6.484 ( 0.000 6.196 3.648) 7.190 6.872 ( 0.000 -5.311 -2.149) 5.730 6.872 ( 0.000 -5.311 2.149) 5.730 7.194 ( 0.000 1.158 -0.535) 1.276 7.194 ( 0.000 1.158 0.535) 1.276 7.513 ( 0.000 -3.271 -3.489) 4.783 7.513 ( 0.000 -3.271 3.489) 4.783 7.731 ( 0.000 1.439 -0.815) 1.653 7.731 ( 0.000 1.439 0.815) 1.653 9.112 ( 0.000 -3.371 -3.115) 4.590 9.112 ( 0.000 -3.371 3.115) 4.590 9.290 ( 0.000 5.673 -4.493) 7.237 9.290 ( 0.000 5.673 4.493) 7.237 9.669 ( 0.000 -0.570 -6.189) 6.215 9.669 ( 0.000 -0.570 6.189) 6.215 9.836 ( 0.000 -3.291 -4.791) 5.813 9.836 ( 0.000 -3.291 4.791) 5.813 10.640 ( 0.000 6.473 -11.279) 13.005 10.640 ( 0.000 6.473 11.279) 13.005 11.072 ( 0.000 -3.843 -15.816) 16.276 11.072 ( 0.000 -3.843 15.816) 16.276 15.415 ( 0.000 0.212 -12.925) 12.927 15.415 ( 0.000 0.212 12.925) 12.927 15.540 ( 0.000 -0.940 -9.620) 9.666 15.540 ( 0.000 -0.940 9.620) 9.666 20.472 ( 0.000 1.019 -5.182) 5.282 20.472 ( 0.000 1.019 5.182) 5.282 20.724 ( 0.000 -2.254 -3.596) 4.244 20.724 ( 0.000 -2.254 3.596) 4.244 22.254 ( 0.000 -1.444 -0.874) 1.688 22.254 ( 0.000 -1.444 0.874) 1.688 22.415 ( 0.000 1.663 -2.420) 2.936 22.415 ( 0.000 1.663 2.420) 2.936 23.769 ( 0.000 -1.167 -3.501) 3.690 23.769 ( 0.000 -1.167 3.501) 3.690 23.844 ( 0.000 2.380 -3.673) 4.377 23.844 ( 0.000 2.380 3.673) 4.377 ======================= Grid point 191 (66/72) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 7.777 -6.054 -6.597) 11.860 1.894 ( 7.777 -6.054 6.597) 11.860 2.311 ( 3.938 -6.104 -1.953) 7.521 2.311 ( 3.938 -6.104 1.953) 7.521 2.485 ( -0.125 3.481 -0.893) 3.596 2.485 ( -0.125 3.481 0.893) 3.596 2.897 ( 0.586 3.233 -7.153) 7.871 2.897 ( 0.586 3.233 7.153) 7.871 2.969 ( 3.870 1.836 -6.096) 7.450 2.969 ( 3.870 1.836 6.096) 7.450 3.236 ( -5.887 2.593 -3.497) 7.322 3.236 ( -5.887 2.593 3.497) 7.322 3.432 ( -4.095 2.837 -4.215) 6.526 3.432 ( -4.095 2.837 4.215) 6.526 3.637 ( -1.944 2.161 -1.125) 3.117 3.637 ( -1.944 2.161 1.125) 3.117 3.857 ( -2.261 0.984 -9.160) 9.486 3.857 ( -2.261 0.984 9.160) 9.486 4.141 ( 0.057 0.028 -4.891) 4.891 4.141 ( 0.057 0.028 4.891) 4.891 4.282 ( 0.586 -2.534 -8.047) 8.457 4.282 ( 0.586 -2.534 8.047) 8.457 4.401 ( 2.236 -0.324 -3.057) 3.801 4.401 ( 2.236 -0.324 3.057) 3.801 4.865 ( 11.619 -0.992 -7.621) 13.930 4.865 ( 11.619 -0.992 7.621) 13.930 5.159 ( 1.329 -1.147 -4.862) 5.169 5.159 ( 1.329 -1.147 4.862) 5.169 5.555 ( 0.115 -0.917 -8.860) 8.908 5.555 ( 0.115 -0.917 8.860) 8.908 5.820 ( -0.340 2.950 -5.365) 6.132 5.820 ( -0.340 2.950 5.365) 6.132 6.237 ( 3.215 -3.276 -4.375) 6.341 6.237 ( 3.215 -3.276 4.375) 6.341 6.455 ( -1.204 4.910 -3.338) 6.058 6.455 ( -1.204 4.910 3.338) 6.058 6.903 ( 1.767 -6.486 -2.318) 7.111 6.903 ( 1.767 -6.486 2.318) 7.111 7.137 ( -4.000 0.205 -1.823) 4.401 7.137 ( -4.000 0.205 1.823) 4.401 7.522 ( 0.395 -0.776 -3.406) 3.516 7.522 ( 0.395 -0.776 3.406) 3.516 7.745 ( 0.778 1.584 -0.724) 1.908 7.745 ( 0.778 1.584 0.724) 1.908 9.023 ( -7.140 -4.271 -3.385) 8.983 9.023 ( -7.140 -4.271 3.385) 8.983 9.255 ( -5.085 7.066 -3.796) 9.497 9.255 ( -5.085 7.066 3.796) 9.497 9.703 ( 4.188 -2.468 -6.876) 8.421 9.703 ( 4.188 -2.468 6.876) 8.421 9.872 ( 3.083 -1.765 -4.174) 5.482 9.872 ( 3.083 -1.765 4.174) 5.482 10.622 ( -1.630 5.937 -11.675) 13.199 10.622 ( -1.630 5.937 11.675) 13.199 11.026 ( -4.433 -3.700 -15.823) 16.843 11.026 ( -4.433 -3.700 15.823) 16.843 15.419 ( 0.368 0.169 -13.107) 13.113 15.419 ( 0.368 0.169 13.107) 13.113 15.527 ( -1.145 -0.811 -10.746) 10.837 15.527 ( -1.145 -0.811 10.746) 10.837 20.490 ( 1.683 0.950 -6.715) 6.988 20.490 ( 1.683 0.950 6.715) 6.988 20.716 ( -0.747 -2.008 -6.930) 7.254 20.716 ( -0.747 -2.008 6.930) 7.254 22.272 ( 1.641 -1.292 -1.206) 2.412 22.272 ( 1.641 -1.292 1.206) 2.412 22.418 ( 0.244 1.340 -2.452) 2.805 22.418 ( 0.244 1.340 2.452) 2.805 23.764 ( -0.453 -1.170 -3.459) 3.680 23.764 ( -0.453 -1.170 3.459) 3.680 23.839 ( -0.499 2.351 -3.594) 4.323 23.839 ( -0.499 2.351 3.594) 4.323 ======================= Grid point 193 (67/72) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.015 -4.104 -5.636) 8.588 2.032 ( 5.015 -4.104 5.636) 8.588 2.350 ( -2.266 5.568 -3.777) 7.100 2.350 ( -2.266 5.568 3.777) 7.100 2.594 ( 11.207 -5.213 -4.596) 13.187 2.594 ( 11.207 -5.213 4.596) 13.187 2.885 ( -0.933 -1.896 -5.793) 6.166 2.885 ( -0.933 -1.896 5.793) 6.166 3.041 ( -0.558 2.102 -4.322) 4.838 3.041 ( -0.558 2.102 4.322) 4.838 3.170 ( 3.926 2.499 -7.778) 9.064 3.170 ( 3.926 2.499 7.778) 9.064 3.382 ( -0.883 3.451 -3.425) 4.941 3.382 ( -0.883 3.451 3.425) 4.941 3.590 ( -1.829 4.174 -4.114) 6.140 3.590 ( -1.829 4.174 4.114) 6.140 3.792 ( -4.744 -1.108 -3.064) 5.755 3.792 ( -4.744 -1.108 3.064) 5.755 4.035 ( -9.371 2.056 -3.359) 10.165 4.035 ( -9.371 2.056 3.359) 10.165 4.332 ( 3.244 -3.950 -6.027) 7.903 4.332 ( 3.244 -3.950 6.027) 7.903 4.428 ( 0.942 -0.774 -4.425) 4.590 4.428 ( 0.942 -0.774 4.425) 4.590 5.110 ( 6.971 -3.204 -3.814) 8.567 5.110 ( 6.971 -3.204 3.814) 8.567 5.222 ( 6.357 1.465 -1.813) 6.771 5.222 ( 6.357 1.465 1.813) 6.771 5.530 ( -1.666 2.787 -6.957) 7.677 5.530 ( -1.666 2.787 6.957) 7.677 5.831 ( 1.101 -0.397 -6.452) 6.558 5.831 ( 1.101 -0.397 6.452) 6.558 6.330 ( 5.492 -1.109 -6.739) 8.764 6.330 ( 5.492 -1.109 6.739) 8.764 6.483 ( 3.942 2.839 -5.428) 7.285 6.483 ( 3.942 2.839 5.428) 7.285 6.919 ( 0.443 -7.775 -2.557) 8.196 6.919 ( 0.443 -7.775 2.557) 8.196 7.082 ( -1.252 -1.352 -3.456) 3.917 7.082 ( -1.252 -1.352 3.456) 3.917 7.518 ( -0.746 1.560 -3.167) 3.609 7.518 ( -0.746 1.560 3.167) 3.609 7.737 ( -1.944 2.313 -0.375) 3.045 7.737 ( -1.944 2.313 0.375) 3.045 8.868 ( -6.920 -3.645 -3.009) 8.380 8.868 ( -6.920 -3.645 3.009) 8.380 9.079 ( -10.791 5.863 -1.849) 12.420 9.079 ( -10.791 5.863 1.849) 12.420 9.836 ( 7.651 -2.454 -5.333) 9.644 9.836 ( 7.651 -2.454 5.333) 9.644 9.948 ( 3.938 0.032 -2.758) 4.808 9.948 ( 3.938 0.032 2.758) 4.808 10.586 ( -1.288 4.156 -12.578) 13.310 10.586 ( -1.288 4.156 12.578) 13.310 10.897 ( -7.745 -3.142 -15.633) 17.727 10.897 ( -7.745 -3.142 15.633) 17.727 15.430 ( 0.675 0.059 -13.451) 13.468 15.430 ( 0.675 0.059 13.451) 13.468 15.498 ( -1.494 -0.523 -12.539) 12.638 15.498 ( -1.494 -0.523 12.539) 12.638 20.537 ( 2.734 0.682 -9.490) 9.899 20.537 ( 2.734 0.682 9.490) 9.899 20.693 ( -1.541 -1.365 -10.696) 10.892 20.693 ( -1.541 -1.365 10.696) 10.892 22.316 ( 2.446 -0.951 -1.681) 3.116 22.316 ( 2.446 -0.951 1.681) 3.116 22.420 ( -0.207 0.657 -2.449) 2.544 22.420 ( -0.207 0.657 2.449) 2.544 23.752 ( -0.576 -1.171 -3.417) 3.658 23.752 ( -0.576 -1.171 3.417) 3.658 23.826 ( -0.639 2.267 -3.380) 4.120 23.826 ( -0.639 2.267 3.380) 4.120 ======================= Grid point 195 (68/72) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 2.497 -1.057 -3.266) 4.245 2.110 ( 2.497 -1.057 3.266) 4.245 2.285 ( -2.683 5.977 -6.178) 9.005 2.285 ( -2.683 5.977 6.178) 9.005 2.768 ( 4.393 -5.527 -7.368) 10.205 2.768 ( 4.393 -5.527 7.368) 10.205 2.850 ( -3.092 -3.880 -6.892) 8.492 2.850 ( -3.092 -3.880 6.892) 8.492 3.105 ( 8.116 2.152 -3.513) 9.102 3.105 ( 8.116 2.152 3.513) 9.102 3.246 ( -1.477 5.107 -1.289) 5.470 3.246 ( -1.477 5.107 1.289) 5.470 3.430 ( 7.057 -0.384 -3.457) 7.867 3.430 ( 7.057 -0.384 3.457) 7.867 3.593 ( 1.521 4.734 -5.491) 7.408 3.593 ( 1.521 4.734 5.491) 7.408 3.661 ( -6.219 -1.930 -2.560) 6.997 3.661 ( -6.219 -1.930 2.560) 6.997 3.808 ( -10.802 4.475 -3.627) 12.242 3.808 ( -10.802 4.475 3.627) 12.242 4.397 ( 2.860 -4.618 -7.109) 8.946 4.397 ( 2.860 -4.618 7.109) 8.946 4.436 ( -0.646 -3.607 -6.279) 7.270 4.436 ( -0.646 -3.607 6.279) 7.270 5.180 ( 3.042 0.906 -3.143) 4.467 5.180 ( 3.042 0.906 3.143) 4.467 5.261 ( -3.728 3.552 -5.281) 7.377 5.261 ( -3.728 3.552 5.281) 7.377 5.616 ( 8.972 -0.901 -2.493) 9.355 5.616 ( 8.972 -0.901 2.493) 9.355 5.798 ( -5.079 -0.828 -3.437) 6.189 5.798 ( -5.079 -0.828 3.437) 6.189 6.462 ( 6.702 0.190 -7.476) 10.042 6.462 ( 6.702 0.190 7.476) 10.042 6.551 ( 0.313 1.951 -7.201) 7.467 6.551 ( 0.313 1.951 7.201) 7.467 6.948 ( 1.898 -7.080 -3.905) 8.305 6.948 ( 1.898 -7.080 3.905) 8.305 7.067 ( -0.417 -3.288 -4.391) 5.501 7.067 ( -0.417 -3.288 4.391) 5.501 7.506 ( -0.062 0.533 -2.847) 2.897 7.506 ( -0.062 0.533 2.847) 2.897 7.674 ( -3.117 3.828 -0.780) 4.998 7.674 ( -3.117 3.828 0.780) 4.998 8.783 ( -0.352 -0.430 -2.044) 2.118 8.783 ( -0.352 -0.430 2.044) 2.118 8.869 ( -8.148 3.208 -0.720) 8.787 8.869 ( -8.148 3.208 0.720) 8.787 9.969 ( 4.257 -1.096 -2.530) 5.072 9.969 ( 4.257 -1.096 2.530) 5.072 10.013 ( 1.641 0.723 -2.746) 3.280 10.013 ( 1.641 0.723 2.746) 3.280 10.600 ( 3.363 1.037 -13.782) 14.224 10.600 ( 3.363 1.037 13.782) 14.224 10.727 ( -8.114 -1.762 -14.963) 17.112 10.727 ( -8.114 -1.762 14.963) 17.112 15.446 ( 0.949 -0.082 -13.668) 13.701 15.446 ( 0.949 -0.082 13.668) 13.701 15.469 ( -1.263 -0.256 -13.466) 13.528 15.469 ( -1.263 -0.256 13.466) 13.528 20.596 ( 2.844 0.113 -11.704) 12.045 20.596 ( 2.844 0.113 11.704) 12.045 20.653 ( -2.305 -0.514 -12.283) 12.508 20.653 ( -2.305 -0.514 12.283) 12.508 22.365 ( 2.063 -0.644 -1.948) 2.909 22.365 ( 2.063 -0.644 1.948) 2.909 22.406 ( -1.103 0.112 -2.384) 2.629 22.406 ( -1.103 0.112 2.384) 2.629 23.743 ( -0.260 -1.165 -3.443) 3.644 23.743 ( -0.260 -1.165 3.443) 3.644 23.816 ( -0.291 2.183 -3.172) 3.862 23.816 ( -0.291 2.183 3.172) 3.862 ======================= Grid point 203 (69/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 -3.230 -1.848) 3.721 1.692 ( 0.000 -3.230 1.848) 3.721 2.132 ( 0.000 -4.627 -0.024) 4.627 2.132 ( 0.000 -4.627 0.024) 4.627 2.545 ( 0.000 1.585 -0.845) 1.796 2.545 ( 0.000 1.585 0.845) 1.796 2.848 ( 0.000 -2.108 -0.889) 2.288 2.848 ( 0.000 -2.108 0.889) 2.288 3.132 ( 0.000 10.209 -1.994) 10.402 3.132 ( 0.000 10.209 1.994) 10.402 3.368 ( 0.000 0.472 -1.549) 1.620 3.368 ( 0.000 0.472 1.549) 1.620 3.513 ( 0.000 0.394 -3.192) 3.216 3.513 ( 0.000 0.394 3.192) 3.216 3.664 ( 0.000 -0.644 -0.213) 0.678 3.664 ( 0.000 -0.644 0.213) 0.678 3.878 ( 0.000 -1.009 -2.967) 3.134 3.878 ( 0.000 -1.009 2.967) 3.134 4.137 ( 0.000 3.118 -5.374) 6.212 4.137 ( 0.000 3.118 5.374) 6.212 4.216 ( 0.000 -4.310 -0.478) 4.336 4.216 ( 0.000 -4.310 0.478) 4.336 4.375 ( 0.000 1.032 -0.245) 1.061 4.375 ( 0.000 1.032 0.245) 1.061 4.729 ( 0.000 -0.295 -1.349) 1.380 4.729 ( 0.000 -0.295 1.349) 1.380 5.134 ( 0.000 -0.330 -3.074) 3.092 5.134 ( 0.000 -0.330 3.074) 3.092 5.491 ( 0.000 -2.572 -3.096) 4.025 5.491 ( 0.000 -2.572 3.096) 4.025 5.913 ( 0.000 3.586 -1.567) 3.913 5.913 ( 0.000 3.586 1.567) 3.913 6.151 ( 0.000 -1.241 -2.624) 2.903 6.151 ( 0.000 -1.241 2.624) 2.903 6.557 ( 0.000 1.489 -2.015) 2.505 6.557 ( 0.000 1.489 2.015) 2.505 6.784 ( 0.000 -2.769 -1.685) 3.241 6.784 ( 0.000 -2.769 1.685) 3.241 7.212 ( 0.000 0.580 -0.195) 0.612 7.212 ( 0.000 0.580 0.195) 0.612 7.461 ( 0.000 -1.749 -0.980) 2.004 7.461 ( 0.000 -1.749 0.980) 2.004 7.750 ( 0.000 0.514 -0.419) 0.663 7.750 ( 0.000 0.514 0.419) 0.663 9.068 ( 0.000 -1.264 -1.043) 1.639 9.068 ( 0.000 -1.264 1.043) 1.639 9.385 ( 0.000 3.591 -2.355) 4.294 9.385 ( 0.000 3.591 2.355) 4.294 9.641 ( 0.000 -1.954 -2.478) 3.155 9.641 ( 0.000 -1.954 2.478) 3.155 9.791 ( 0.000 -1.097 -1.308) 1.707 9.791 ( 0.000 -1.097 1.308) 1.707 10.777 ( 0.000 6.785 -10.520) 12.518 10.777 ( 0.000 6.785 10.520) 12.518 10.978 ( 0.000 -5.425 -12.115) 13.274 10.978 ( 0.000 -5.425 12.115) 13.274 15.420 ( 0.000 0.192 -5.904) 5.907 15.420 ( 0.000 0.192 5.904) 5.907 15.522 ( 0.000 -0.641 -4.658) 4.702 15.522 ( 0.000 -0.641 4.658) 4.702 20.493 ( 0.000 0.906 -2.308) 2.479 20.493 ( 0.000 0.906 2.308) 2.479 20.681 ( 0.000 -1.651 -0.948) 1.904 20.681 ( 0.000 -1.651 0.948) 1.904 22.233 ( 0.000 -0.652 -0.440) 0.787 22.233 ( 0.000 -0.652 0.440) 0.787 22.440 ( 0.000 0.780 -0.769) 1.096 22.440 ( 0.000 0.780 0.769) 1.096 23.755 ( 0.000 -0.350 -1.213) 1.262 23.755 ( 0.000 -0.350 1.213) 1.262 23.879 ( 0.000 1.089 -1.477) 1.835 23.879 ( 0.000 1.089 1.477) 1.835 ======================= Grid point 205 (70/72) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 9.384 -2.353 -3.677) 10.350 1.809 ( 9.384 -2.353 3.677) 10.350 2.191 ( 6.410 -4.455 -0.731) 7.841 2.191 ( 6.410 -4.455 0.731) 7.841 2.545 ( -0.306 1.880 -2.402) 3.066 2.545 ( -0.306 1.880 2.402) 3.066 2.874 ( 2.007 -1.454 -1.687) 2.998 2.874 ( 2.007 -1.454 1.687) 2.998 3.114 ( -1.988 7.780 -3.211) 8.648 3.114 ( -1.988 7.780 3.211) 8.648 3.249 ( -7.742 -1.522 -3.002) 8.443 3.249 ( -7.742 -1.522 3.002) 8.443 3.495 ( -1.070 3.555 -3.551) 5.138 3.495 ( -1.070 3.555 3.551) 5.138 3.674 ( -0.110 0.601 -3.956) 4.003 3.674 ( -0.110 0.601 3.956) 4.003 3.839 ( -3.166 -2.114 -5.921) 7.039 3.839 ( -3.166 -2.114 5.921) 7.039 4.147 ( -0.674 1.349 -5.149) 5.365 4.147 ( -0.674 1.349 5.149) 5.365 4.236 ( 1.213 -2.740 -7.353) 7.940 4.236 ( 1.213 -2.740 7.353) 7.940 4.410 ( 2.176 1.223 -1.375) 2.850 4.410 ( 2.176 1.223 1.375) 2.850 4.842 ( 10.093 -1.074 -6.245) 11.917 4.842 ( 10.093 -1.074 6.245) 11.917 5.142 ( 1.575 -0.495 -3.033) 3.454 5.142 ( 1.575 -0.495 3.033) 3.454 5.527 ( 3.411 -1.430 -3.098) 4.824 5.527 ( 3.411 -1.430 3.098) 4.824 5.880 ( -3.095 2.436 -6.388) 7.504 5.880 ( -3.095 2.436 6.388) 7.504 6.217 ( 5.891 0.368 -7.343) 9.421 6.217 ( 5.891 0.368 7.343) 9.421 6.507 ( -3.199 0.668 -2.080) 3.874 6.507 ( -3.199 0.668 2.080) 3.874 6.798 ( 0.344 -3.423 -1.551) 3.774 6.798 ( 0.344 -3.423 1.551) 3.774 7.126 ( -5.545 -0.733 -1.877) 5.900 7.126 ( -5.545 -0.733 1.877) 5.900 7.522 ( 3.545 0.323 -2.212) 4.191 7.522 ( 3.545 0.323 2.212) 4.191 7.765 ( 0.947 0.464 -0.370) 1.118 7.765 ( 0.947 0.464 0.370) 1.118 8.969 ( -7.535 -1.485 -2.589) 8.105 8.969 ( -7.535 -1.485 2.589) 8.105 9.370 ( -5.456 4.350 -2.539) 7.425 9.370 ( -5.456 4.350 2.539) 7.425 9.641 ( 3.915 -3.080 -3.321) 5.987 9.641 ( 3.915 -3.080 3.321) 5.987 9.851 ( 4.441 -0.459 -1.917) 4.859 9.851 ( 4.441 -0.459 1.917) 4.859 10.749 ( -2.616 6.408 -10.788) 12.817 10.749 ( -2.616 6.408 10.788) 12.817 10.935 ( -4.056 -5.245 -12.275) 13.951 10.935 ( -4.056 -5.245 12.275) 13.951 15.423 ( 0.287 0.156 -5.999) 6.008 15.423 ( 0.287 0.156 5.999) 6.008 15.512 ( -0.931 -0.551 -5.089) 5.203 15.512 ( -0.931 -0.551 5.089) 5.203 20.510 ( 1.535 0.848 -3.821) 4.204 20.510 ( 1.535 0.848 3.821) 4.204 20.678 ( -0.330 -1.490 -3.582) 3.894 20.678 ( -0.330 -1.490 3.582) 3.894 22.253 ( 1.816 -0.603 -0.810) 2.078 22.253 ( 1.816 -0.603 0.810) 2.078 22.438 ( -0.186 0.631 -0.813) 1.046 22.438 ( -0.186 0.631 0.813) 1.046 23.750 ( -0.447 -0.345 -1.241) 1.363 23.750 ( -0.447 -0.345 1.241) 1.363 23.873 ( -0.559 1.064 -1.422) 1.862 23.873 ( -0.559 1.064 1.422) 1.862 ======================= Grid point 207 (71/72) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 7.346 -0.710 -4.744) 8.773 1.989 ( 7.346 -0.710 4.744) 8.773 2.373 ( 6.417 -1.932 -2.518) 7.159 2.373 ( 6.417 -1.932 2.518) 7.159 2.553 ( 3.994 0.601 -3.941) 5.643 2.553 ( 3.994 0.601 3.941) 5.643 2.871 ( -3.127 0.138 -3.275) 4.530 2.871 ( -3.127 0.138 3.275) 4.530 3.046 ( -2.022 -0.834 -2.515) 3.333 3.046 ( -2.022 -0.834 2.515) 3.333 3.218 ( 4.911 1.969 -2.782) 5.978 3.218 ( 4.911 1.969 2.782) 5.978 3.470 ( -1.821 4.439 -3.024) 5.671 3.470 ( -1.821 4.439 3.024) 5.671 3.665 ( -0.203 2.912 -2.744) 4.007 3.665 ( -0.203 2.912 2.744) 4.007 3.750 ( -5.519 -2.966 -2.087) 6.604 3.750 ( -5.519 -2.966 2.087) 6.604 4.067 ( -7.154 1.108 -4.279) 8.409 4.067 ( -7.154 1.108 4.279) 8.409 4.270 ( 2.125 -2.426 -6.646) 7.387 4.270 ( 2.125 -2.426 6.646) 7.387 4.412 ( -1.964 -0.272 -2.395) 3.110 4.412 ( -1.964 -0.272 2.395) 3.110 5.055 ( 8.479 -2.072 -1.850) 8.922 5.055 ( 8.479 -2.072 1.850) 8.922 5.237 ( 7.234 0.351 -1.351) 7.367 5.237 ( 7.234 0.351 1.351) 7.367 5.589 ( 0.745 2.426 -3.519) 4.339 5.589 ( 0.745 2.426 3.519) 4.339 5.815 ( -1.702 -0.891 -6.832) 7.097 5.815 ( -1.702 -0.891 6.832) 7.097 6.364 ( 7.232 4.066 -7.693) 11.314 6.364 ( 7.232 4.066 7.693) 11.314 6.487 ( 2.402 -2.577 -3.308) 4.832 6.487 ( 2.402 -2.577 3.308) 4.832 6.796 ( 0.268 -4.036 -1.335) 4.259 6.796 ( 0.268 -4.036 1.335) 4.259 7.041 ( -2.791 -1.707 -3.427) 4.738 7.041 ( -2.791 -1.707 3.427) 4.738 7.558 ( -0.213 1.684 -2.678) 3.171 7.558 ( -0.213 1.684 2.678) 3.171 7.766 ( -1.238 0.670 -0.511) 1.498 7.766 ( -1.238 0.670 0.511) 1.498 8.824 ( -5.413 -1.120 -2.817) 6.204 8.824 ( -5.413 -1.120 2.817) 6.204 9.163 ( -12.546 2.635 -0.918) 12.852 9.163 ( -12.546 2.635 0.918) 12.852 9.793 ( 8.862 -1.569 -2.081) 9.237 9.793 ( 8.862 -1.569 2.081) 9.237 9.949 ( 4.731 0.043 -1.030) 4.842 9.949 ( 4.731 0.043 1.030) 4.842 10.680 ( -3.680 4.943 -11.324) 12.892 10.680 ( -3.680 4.943 11.324) 12.892 10.821 ( -6.629 -4.406 -12.430) 14.760 10.821 ( -6.629 -4.406 12.430) 14.760 15.431 ( 0.549 0.065 -6.152) 6.177 15.431 ( 0.549 0.065 6.152) 6.177 15.489 ( -1.223 -0.351 -5.743) 5.882 15.489 ( -1.223 -0.351 5.743) 5.882 20.551 ( 2.332 0.618 -5.831) 6.310 20.551 ( 2.332 0.618 5.831) 6.310 20.667 ( -0.826 -1.036 -6.026) 6.170 20.667 ( -0.826 -1.036 6.026) 6.170 22.301 ( 2.694 -0.479 -1.114) 2.954 22.301 ( 2.694 -0.479 1.114) 2.954 22.429 ( -0.730 0.301 -0.972) 1.253 22.429 ( -0.730 0.301 0.972) 1.253 23.739 ( -0.561 -0.330 -1.327) 1.478 23.739 ( -0.561 -0.330 1.327) 1.478 23.859 ( -0.732 0.999 -1.289) 1.788 23.859 ( -0.732 0.999 1.289) 1.788 ======================= Grid point 209 (72/72) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 4.152 0.687 -3.597) 5.536 2.113 ( 4.152 0.687 3.597) 5.536 2.369 ( -2.524 2.377 -7.394) 8.166 2.369 ( -2.524 2.377 7.394) 8.166 2.677 ( 3.153 -3.055 -2.999) 5.317 2.677 ( 3.153 -3.055 2.999) 5.317 2.801 ( -2.365 -1.155 -7.926) 8.352 2.801 ( -2.365 -1.155 7.926) 8.352 3.131 ( 10.042 0.409 -0.436) 10.060 3.131 ( 10.042 0.409 0.436) 10.060 3.318 ( -2.326 2.263 -4.043) 5.184 3.318 ( -2.326 2.263 4.043) 5.184 3.430 ( 2.261 0.387 -1.631) 2.815 3.430 ( 2.261 0.387 1.631) 2.815 3.608 ( -6.317 -1.649 -1.313) 6.659 3.608 ( -6.317 -1.649 1.313) 6.659 3.712 ( 3.951 4.277 -2.728) 6.430 3.712 ( 3.951 4.277 2.728) 6.430 3.883 ( -9.135 2.810 -2.971) 10.009 3.883 ( -9.135 2.810 2.971) 10.009 4.314 ( 1.989 -3.307 -5.091) 6.388 4.314 ( 1.989 -3.307 5.091) 6.388 4.361 ( -2.293 -2.921 -4.844) 6.104 4.361 ( -2.293 -2.921 4.844) 6.104 5.198 ( 6.116 0.531 -2.418) 6.598 5.198 ( 6.116 0.531 2.418) 6.598 5.310 ( -2.437 1.363 -2.878) 4.009 5.310 ( -2.437 1.363 2.878) 4.009 5.614 ( 4.063 0.524 -2.392) 4.744 5.614 ( 4.063 0.524 2.392) 4.744 5.779 ( -3.218 -0.903 -3.627) 4.932 5.779 ( -3.218 -0.903 3.627) 4.932 6.486 ( 4.455 1.714 -4.922) 6.857 6.486 ( 4.455 1.714 4.922) 6.857 6.579 ( 3.493 0.794 -2.923) 4.623 6.579 ( 3.493 0.794 2.923) 4.623 6.827 ( 2.223 -4.564 -2.504) 5.661 6.827 ( 2.223 -4.564 2.504) 5.661 6.993 ( -1.972 -2.948 -6.433) 7.346 6.993 ( -1.972 -2.948 6.433) 7.346 7.531 ( -1.390 1.211 -3.293) 3.774 7.531 ( -1.390 1.211 3.293) 3.774 7.724 ( -1.919 1.357 -0.370) 2.379 7.724 ( -1.919 1.357 0.370) 2.379 8.784 ( 2.107 0.208 -2.351) 3.164 8.784 ( 2.107 0.208 2.351) 3.164 8.917 ( -10.064 1.520 -0.860) 10.214 8.917 ( -10.064 1.520 0.860) 10.214 9.954 ( 5.560 -0.497 -1.738) 5.846 9.954 ( 5.560 -0.497 1.738) 5.846 10.022 ( 1.601 0.245 -2.593) 3.058 10.022 ( 1.601 0.245 2.593) 3.058 10.628 ( -0.406 1.708 -11.875) 12.004 10.628 ( -0.406 1.708 11.875) 12.004 10.686 ( -5.531 -2.154 -12.193) 13.561 10.686 ( -5.531 -2.154 12.193) 13.561 15.445 ( 0.807 -0.043 -6.440) 6.490 15.445 ( 0.807 -0.043 6.439) 6.490 15.465 ( -1.063 -0.166 -6.120) 6.214 15.465 ( -1.063 -0.166 6.120) 6.214 20.599 ( 2.066 0.117 -8.077) 8.338 20.599 ( 2.066 0.117 8.077) 8.338 20.643 ( -1.394 -0.364 -8.103) 8.230 20.643 ( -1.394 -0.364 8.103) 8.230 22.355 ( 2.217 -0.334 -0.869) 2.405 22.355 ( 2.217 -0.334 0.869) 2.405 22.407 ( -1.367 0.011 -1.557) 2.072 22.407 ( -1.367 0.011 1.557) 2.072 23.730 ( -0.251 -0.314 -1.423) 1.479 23.730 ( -0.251 -0.314 1.423) 1.479 23.847 ( -0.339 0.939 -1.175) 1.542 23.847 ( -0.339 0.939 1.175) 1.542 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25200 10.0 247.638 305.442 271.735 0.000 0.000 0.000 3/25200 20.0 54.931 60.931 59.110 0.000 0.000 0.000 3/25200 30.0 20.902 22.889 21.426 0.000 0.000 0.000 3/25200 40.0 11.708 12.373 11.638 0.000 0.000 0.000 3/25200 50.0 7.898 8.075 7.694 0.000 0.000 0.000 3/25200 60.0 5.907 5.880 5.685 0.000 0.000 0.000 3/25200 70.0 4.709 4.592 4.504 0.000 0.000 0.000 3/25200 80.0 3.919 3.759 3.741 0.000 0.000 0.000 3/25200 90.0 3.361 3.183 3.214 0.000 0.000 0.000 3/25200 100.0 2.948 2.763 2.831 0.000 0.000 0.000 3/25200 110.0 2.630 2.444 2.543 0.000 0.000 0.000 3/25200 120.0 2.378 2.195 2.318 0.000 0.000 0.000 3/25200 130.0 2.173 1.994 2.138 0.000 0.000 0.000 3/25200 140.0 2.004 1.830 1.992 0.000 0.000 0.000 3/25200 150.0 1.861 1.693 1.870 0.000 0.000 0.000 3/25200 160.0 1.740 1.577 1.766 0.000 0.000 0.000 3/25200 170.0 1.635 1.477 1.678 0.000 0.000 0.000 3/25200 180.0 1.544 1.391 1.600 0.000 0.000 0.000 3/25200 190.0 1.464 1.316 1.532 0.000 0.000 0.000 3/25200 200.0 1.393 1.250 1.471 0.000 0.000 0.000 3/25200 210.0 1.329 1.191 1.416 0.000 0.000 0.000 3/25200 220.0 1.272 1.138 1.366 0.000 0.000 0.000 3/25200 230.0 1.221 1.090 1.321 0.000 0.000 0.000 3/25200 240.0 1.173 1.047 1.279 0.000 0.000 0.000 3/25200 250.0 1.130 1.008 1.241 0.000 0.000 0.000 3/25200 260.0 1.091 0.972 1.205 0.000 0.000 0.000 3/25200 270.0 1.054 0.939 1.171 0.000 0.000 0.000 3/25200 280.0 1.020 0.908 1.139 0.000 0.000 0.000 3/25200 290.0 0.988 0.880 1.110 0.000 0.000 0.000 3/25200 300.0 0.959 0.853 1.082 0.000 0.000 0.000 3/25200 310.0 0.931 0.829 1.055 0.000 0.000 0.000 3/25200 320.0 0.905 0.806 1.030 0.000 0.000 0.000 3/25200 330.0 0.881 0.784 1.006 0.000 0.000 0.000 3/25200 340.0 0.858 0.763 0.983 0.000 0.000 0.000 3/25200 350.0 0.836 0.744 0.961 0.000 0.000 0.000 3/25200 360.0 0.815 0.726 0.940 0.000 0.000 0.000 3/25200 370.0 0.795 0.709 0.920 0.000 0.000 0.000 3/25200 380.0 0.777 0.692 0.901 0.000 0.000 0.000 3/25200 390.0 0.759 0.677 0.883 0.000 0.000 0.000 3/25200 400.0 0.742 0.662 0.865 0.000 0.000 0.000 3/25200 410.0 0.726 0.647 0.848 0.000 0.000 0.000 3/25200 420.0 0.710 0.634 0.832 0.000 0.000 0.000 3/25200 430.0 0.695 0.621 0.816 0.000 0.000 0.000 3/25200 440.0 0.681 0.608 0.801 0.000 0.000 0.000 3/25200 450.0 0.667 0.597 0.787 0.000 0.000 0.000 3/25200 460.0 0.654 0.585 0.773 0.000 0.000 0.000 3/25200 470.0 0.642 0.574 0.759 0.000 0.000 0.000 3/25200 480.0 0.629 0.563 0.746 0.000 0.000 0.000 3/25200 490.0 0.618 0.553 0.733 0.000 0.000 0.000 3/25200 500.0 0.607 0.543 0.721 0.000 0.000 0.000 3/25200 510.0 0.596 0.534 0.709 0.000 0.000 0.000 3/25200 520.0 0.585 0.525 0.697 0.000 0.000 0.000 3/25200 530.0 0.575 0.516 0.686 0.000 0.000 0.000 3/25200 540.0 0.565 0.507 0.675 0.000 0.000 0.000 3/25200 550.0 0.556 0.499 0.665 0.000 0.000 0.000 3/25200 560.0 0.547 0.491 0.654 0.000 0.000 0.000 3/25200 570.0 0.538 0.484 0.644 0.000 0.000 0.000 3/25200 580.0 0.529 0.476 0.635 0.000 0.000 0.000 3/25200 590.0 0.521 0.469 0.625 0.000 0.000 0.000 3/25200 600.0 0.513 0.462 0.616 0.000 0.000 0.000 3/25200 610.0 0.505 0.455 0.607 0.000 0.000 0.000 3/25200 620.0 0.498 0.448 0.599 0.000 0.000 0.000 3/25200 630.0 0.490 0.442 0.590 0.000 0.000 0.000 3/25200 640.0 0.483 0.436 0.582 0.000 0.000 0.000 3/25200 650.0 0.476 0.429 0.574 0.000 0.000 0.000 3/25200 660.0 0.469 0.424 0.567 0.000 0.000 0.000 3/25200 670.0 0.463 0.418 0.559 0.000 0.000 0.000 3/25200 680.0 0.456 0.412 0.552 0.000 0.000 0.000 3/25200 690.0 0.450 0.407 0.545 0.000 0.000 0.000 3/25200 700.0 0.444 0.401 0.538 0.000 0.000 0.000 3/25200 710.0 0.438 0.396 0.531 0.000 0.000 0.000 3/25200 720.0 0.433 0.391 0.524 0.000 0.000 0.000 3/25200 730.0 0.427 0.386 0.518 0.000 0.000 0.000 3/25200 740.0 0.422 0.382 0.511 0.000 0.000 0.000 3/25200 750.0 0.416 0.377 0.505 0.000 0.000 0.000 3/25200 760.0 0.411 0.372 0.499 0.000 0.000 0.000 3/25200 770.0 0.406 0.368 0.493 0.000 0.000 0.000 3/25200 780.0 0.401 0.363 0.487 0.000 0.000 0.000 3/25200 790.0 0.396 0.359 0.482 0.000 0.000 0.000 3/25200 800.0 0.392 0.355 0.476 0.000 0.000 0.000 3/25200 810.0 0.387 0.351 0.471 0.000 0.000 0.000 3/25200 820.0 0.382 0.347 0.466 0.000 0.000 0.000 3/25200 830.0 0.378 0.343 0.460 0.000 0.000 0.000 3/25200 840.0 0.374 0.339 0.455 0.000 0.000 0.000 3/25200 850.0 0.370 0.336 0.450 0.000 0.000 0.000 3/25200 860.0 0.365 0.332 0.446 0.000 0.000 0.000 3/25200 870.0 0.361 0.328 0.441 0.000 0.000 0.000 3/25200 880.0 0.358 0.325 0.436 0.000 0.000 0.000 3/25200 890.0 0.354 0.322 0.432 0.000 0.000 0.000 3/25200 900.0 0.350 0.318 0.427 0.000 0.000 0.000 3/25200 910.0 0.346 0.315 0.423 0.000 0.000 0.000 3/25200 920.0 0.343 0.312 0.419 0.000 0.000 0.000 3/25200 930.0 0.339 0.309 0.414 0.000 0.000 0.000 3/25200 940.0 0.336 0.306 0.410 0.000 0.000 0.000 3/25200 950.0 0.332 0.303 0.406 0.000 0.000 0.000 3/25200 960.0 0.329 0.300 0.402 0.000 0.000 0.000 3/25200 970.0 0.326 0.297 0.398 0.000 0.000 0.000 3/25200 980.0 0.322 0.294 0.395 0.000 0.000 0.000 3/25200 990.0 0.319 0.291 0.391 0.000 0.000 0.000 3/25200 1000.0 0.316 0.288 0.387 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m7510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:58:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|