----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.511398173043342 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -5.537264180200492 0.000000000000000 7.271441106647909 Atomic positions (fractional): *1 Ba 0.41244992423422 0.68146049519882 0.63730006514005 137.327 2 Ba 0.41244992423422 0.81853950480118 0.13730006514005 137.327 3 Ba 0.58755007576578 0.31853950480118 0.36269993485995 137.327 4 Ba 0.58755007576578 0.18146049519882 0.86269993485995 137.327 *5 Zr 0.87887666679129 0.53524398312460 0.13491282033032 91.224 6 Zr 0.87887666679129 0.96475601687540 0.63491282033032 91.224 7 Zr 0.12112333320871 0.46475601687540 0.86508717966968 91.224 8 Zr 0.12112333320871 0.03524398312460 0.36508717966968 91.224 *9 F 0.92854060648790 0.89446829844702 0.86054462412745 18.998 *10 F 0.98508399648647 0.87713348077322 0.47151899050512 18.998 *11 F 0.45436830712732 0.53230577632207 0.11674109245959 18.998 12 F 0.92854060648790 0.60553170155298 0.36054462412744 18.998 *13 F 0.16450818354014 0.84542332590170 0.28900161116583 18.998 14 F 0.54563169287268 0.46769422367793 0.88325890754041 18.998 *15 F 0.67971869868201 0.78242764443496 0.52780953884444 18.998 16 F 0.83549181645986 0.34542332590170 0.21099838883417 18.998 17 F 0.45436830712732 0.96769422367793 0.61674109245959 18.998 *18 F 0.27182256941399 0.53761229542060 0.32329519391865 18.998 19 F 0.72817743058601 0.03761229542060 0.17670480608135 18.998 20 F 0.01491600351353 0.12286651922678 0.52848100949488 18.998 21 F 0.32028130131799 0.28242764443496 0.97219046115556 18.998 22 F 0.01491600351353 0.37713348077322 0.02848100949488 18.998 23 F 0.07145939351210 0.10553170155298 0.13945537587255 18.998 24 F 0.32028130131799 0.21757235556504 0.47219046115556 18.998 25 F 0.67971869868201 0.71757235556504 0.02780953884444 18.998 26 F 0.98508399648647 0.62286651922678 0.97151899050512 18.998 27 F 0.27182256941399 0.96238770457940 0.82329519391865 18.998 28 F 0.07145939351210 0.39446829844702 0.63945537587255 18.998 29 F 0.16450818354014 0.65457667409830 0.78900161116583 18.998 30 F 0.72817743058601 0.46238770457940 0.67670480608135 18.998 31 F 0.54563169287268 0.03230577632207 0.38325890754041 18.998 32 F 0.83549181645986 0.15457667409830 0.71099838883417 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.511398173043342 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -5.537264180200492 0.000000000000000 7.271441106647909 Atomic positions (fractional): *1 Ba 0.41244992423422 0.68146049519882 0.63730006514005 137.327 > 1 2 Ba 0.41244992423422 0.81853950480118 0.13730006514005 137.327 > 2 3 Ba 0.58755007576578 0.31853950480118 0.36269993485995 137.327 > 3 4 Ba 0.58755007576578 0.18146049519882 0.86269993485995 137.327 > 4 *5 Zr 0.87887666679129 0.53524398312460 0.13491282033032 91.224 > 5 6 Zr 0.87887666679129 0.96475601687540 0.63491282033032 91.224 > 6 7 Zr 0.12112333320871 0.46475601687540 0.86508717966968 91.224 > 7 8 Zr 0.12112333320871 0.03524398312460 0.36508717966968 91.224 > 8 *9 F 0.92854060648790 0.89446829844702 0.86054462412745 18.998 > 9 *10 F 0.98508399648647 0.87713348077322 0.47151899050512 18.998 > 10 *11 F 0.45436830712732 0.53230577632207 0.11674109245959 18.998 > 11 12 F 0.92854060648790 0.60553170155298 0.36054462412744 18.998 > 12 *13 F 0.16450818354014 0.84542332590170 0.28900161116583 18.998 > 13 14 F 0.54563169287268 0.46769422367793 0.88325890754041 18.998 > 14 *15 F 0.67971869868201 0.78242764443496 0.52780953884444 18.998 > 15 16 F 0.83549181645986 0.34542332590170 0.21099838883417 18.998 > 16 17 F 0.45436830712732 0.96769422367793 0.61674109245959 18.998 > 17 *18 F 0.27182256941399 0.53761229542060 0.32329519391865 18.998 > 18 19 F 0.72817743058601 0.03761229542060 0.17670480608135 18.998 > 19 20 F 0.01491600351353 0.12286651922678 0.52848100949488 18.998 > 20 21 F 0.32028130131799 0.28242764443496 0.97219046115556 18.998 > 21 22 F 0.01491600351353 0.37713348077322 0.02848100949488 18.998 > 22 23 F 0.07145939351210 0.10553170155298 0.13945537587255 18.998 > 23 24 F 0.32028130131799 0.21757235556504 0.47219046115556 18.998 > 24 25 F 0.67971869868201 0.71757235556504 0.02780953884444 18.998 > 25 26 F 0.98508399648647 0.62286651922678 0.97151899050512 18.998 > 26 27 F 0.27182256941399 0.96238770457940 0.82329519391865 18.998 > 27 28 F 0.07145939351210 0.39446829844702 0.63945537587255 18.998 > 28 29 F 0.16450818354014 0.65457667409830 0.78900161116583 18.998 > 29 30 F 0.72817743058601 0.46238770457940 0.67670480608135 18.998 > 30 31 F 0.54563169287268 0.03230577632207 0.38325890754041 18.998 > 31 32 F 0.83549181645986 0.15457667409830 0.71099838883417 18.998 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.022796346086684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -11.074528360400985 0.000000000000000 14.542882213295819 Atomic positions (fractional): *1 Ba 0.20622496211711 0.68146049519882 0.31865003257002 137.327 > 1 2 Ba 0.70622496211711 0.68146049519882 0.31865003257002 137.327 > 1 3 Ba 0.20622496211711 0.68146049519882 0.81865003257002 137.327 > 1 4 Ba 0.70622496211711 0.68146049519882 0.81865003257002 137.327 > 1 5 Ba 0.20622496211711 0.81853950480118 0.06865003257002 137.327 > 2 6 Ba 0.70622496211711 0.81853950480118 0.06865003257002 137.327 > 2 7 Ba 0.20622496211711 0.81853950480118 0.56865003257002 137.327 > 2 8 Ba 0.70622496211711 0.81853950480118 0.56865003257002 137.327 > 2 9 Ba 0.29377503788289 0.31853950480118 0.18134996742998 137.327 > 3 10 Ba 0.79377503788289 0.31853950480118 0.18134996742998 137.327 > 3 11 Ba 0.29377503788289 0.31853950480118 0.68134996742998 137.327 > 3 12 Ba 0.79377503788289 0.31853950480118 0.68134996742998 137.327 > 3 13 Ba 0.29377503788289 0.18146049519882 0.43134996742998 137.327 > 4 14 Ba 0.79377503788289 0.18146049519882 0.43134996742998 137.327 > 4 15 Ba 0.29377503788289 0.18146049519882 0.93134996742998 137.327 > 4 16 Ba 0.79377503788289 0.18146049519882 0.93134996742998 137.327 > 4 *17 Zr 0.43943833339564 0.53524398312460 0.06745641016516 91.224 > 5 18 Zr 0.93943833339564 0.53524398312460 0.06745641016516 91.224 > 5 19 Zr 0.43943833339564 0.53524398312460 0.56745641016516 91.224 > 5 20 Zr 0.93943833339564 0.53524398312460 0.56745641016516 91.224 > 5 21 Zr 0.43943833339564 0.96475601687540 0.31745641016516 91.224 > 6 22 Zr 0.93943833339564 0.96475601687540 0.31745641016516 91.224 > 6 23 Zr 0.43943833339564 0.96475601687540 0.81745641016516 91.224 > 6 24 Zr 0.93943833339564 0.96475601687540 0.81745641016516 91.224 > 6 25 Zr 0.06056166660436 0.46475601687540 0.43254358983484 91.224 > 7 26 Zr 0.56056166660436 0.46475601687540 0.43254358983484 91.224 > 7 27 Zr 0.06056166660436 0.46475601687540 0.93254358983484 91.224 > 7 28 Zr 0.56056166660436 0.46475601687540 0.93254358983484 91.224 > 7 29 Zr 0.06056166660436 0.03524398312460 0.18254358983484 91.224 > 8 30 Zr 0.56056166660436 0.03524398312460 0.18254358983484 91.224 > 8 31 Zr 0.06056166660436 0.03524398312460 0.68254358983484 91.224 > 8 32 Zr 0.56056166660436 0.03524398312460 0.68254358983484 91.224 > 8 *33 F 0.46427030324395 0.89446829844702 0.43027231206372 18.998 > 9 34 F 0.96427030324395 0.89446829844702 0.43027231206372 18.998 > 9 35 F 0.46427030324395 0.89446829844702 0.93027231206372 18.998 > 9 36 F 0.96427030324395 0.89446829844702 0.93027231206372 18.998 > 9 *37 F 0.49254199824323 0.87713348077322 0.23575949525256 18.998 > 10 38 F 0.99254199824323 0.87713348077322 0.23575949525256 18.998 > 10 39 F 0.49254199824323 0.87713348077322 0.73575949525256 18.998 > 10 40 F 0.99254199824323 0.87713348077322 0.73575949525256 18.998 > 10 *41 F 0.22718415356366 0.53230577632207 0.05837054622980 18.998 > 11 42 F 0.72718415356366 0.53230577632207 0.05837054622980 18.998 > 11 43 F 0.22718415356366 0.53230577632207 0.55837054622980 18.998 > 11 44 F 0.72718415356366 0.53230577632207 0.55837054622980 18.998 > 11 45 F 0.46427030324395 0.60553170155298 0.18027231206372 18.998 > 12 46 F 0.96427030324395 0.60553170155298 0.18027231206372 18.998 > 12 47 F 0.46427030324395 0.60553170155298 0.68027231206372 18.998 > 12 48 F 0.96427030324395 0.60553170155298 0.68027231206372 18.998 > 12 *49 F 0.08225409177007 0.84542332590170 0.14450080558292 18.998 > 13 50 F 0.58225409177007 0.84542332590170 0.14450080558292 18.998 > 13 51 F 0.08225409177007 0.84542332590170 0.64450080558292 18.998 > 13 52 F 0.58225409177007 0.84542332590170 0.64450080558292 18.998 > 13 53 F 0.27281584643634 0.46769422367793 0.44162945377020 18.998 > 14 54 F 0.77281584643634 0.46769422367793 0.44162945377020 18.998 > 14 55 F 0.27281584643634 0.46769422367793 0.94162945377020 18.998 > 14 56 F 0.77281584643634 0.46769422367793 0.94162945377020 18.998 > 14 *57 F 0.33985934934100 0.78242764443496 0.26390476942222 18.998 > 15 58 F 0.83985934934100 0.78242764443496 0.26390476942222 18.998 > 15 59 F 0.33985934934100 0.78242764443496 0.76390476942222 18.998 > 15 60 F 0.83985934934100 0.78242764443496 0.76390476942222 18.998 > 15 61 F 0.41774590822993 0.34542332590170 0.10549919441708 18.998 > 16 62 F 0.91774590822993 0.34542332590170 0.10549919441708 18.998 > 16 63 F 0.41774590822993 0.34542332590170 0.60549919441708 18.998 > 16 64 F 0.91774590822993 0.34542332590170 0.60549919441708 18.998 > 16 65 F 0.22718415356366 0.96769422367793 0.30837054622980 18.998 > 17 66 F 0.72718415356366 0.96769422367793 0.30837054622980 18.998 > 17 67 F 0.22718415356366 0.96769422367793 0.80837054622980 18.998 > 17 68 F 0.72718415356366 0.96769422367793 0.80837054622980 18.998 > 17 *69 F 0.13591128470699 0.53761229542060 0.16164759695933 18.998 > 18 70 F 0.63591128470699 0.53761229542060 0.16164759695933 18.998 > 18 71 F 0.13591128470699 0.53761229542060 0.66164759695933 18.998 > 18 72 F 0.63591128470699 0.53761229542060 0.66164759695933 18.998 > 18 73 F 0.36408871529301 0.03761229542060 0.08835240304067 18.998 > 19 74 F 0.86408871529301 0.03761229542060 0.08835240304067 18.998 > 19 75 F 0.36408871529301 0.03761229542060 0.58835240304067 18.998 > 19 76 F 0.86408871529301 0.03761229542060 0.58835240304067 18.998 > 19 77 F 0.00745800175677 0.12286651922678 0.26424050474744 18.998 > 20 78 F 0.50745800175677 0.12286651922678 0.26424050474744 18.998 > 20 79 F 0.00745800175677 0.12286651922678 0.76424050474744 18.998 > 20 80 F 0.50745800175677 0.12286651922678 0.76424050474744 18.998 > 20 81 F 0.16014065065899 0.28242764443496 0.48609523057778 18.998 > 21 82 F 0.66014065065899 0.28242764443496 0.48609523057778 18.998 > 21 83 F 0.16014065065899 0.28242764443496 0.98609523057778 18.998 > 21 84 F 0.66014065065899 0.28242764443496 0.98609523057778 18.998 > 21 85 F 0.00745800175677 0.37713348077322 0.01424050474744 18.998 > 22 86 F 0.50745800175677 0.37713348077322 0.01424050474744 18.998 > 22 87 F 0.00745800175677 0.37713348077322 0.51424050474744 18.998 > 22 88 F 0.50745800175677 0.37713348077322 0.51424050474744 18.998 > 22 89 F 0.03572969675605 0.10553170155298 0.06972768793628 18.998 > 23 90 F 0.53572969675605 0.10553170155298 0.06972768793628 18.998 > 23 91 F 0.03572969675605 0.10553170155298 0.56972768793628 18.998 > 23 92 F 0.53572969675605 0.10553170155298 0.56972768793628 18.998 > 23 93 F 0.16014065065899 0.21757235556504 0.23609523057778 18.998 > 24 94 F 0.66014065065899 0.21757235556504 0.23609523057778 18.998 > 24 95 F 0.16014065065899 0.21757235556504 0.73609523057778 18.998 > 24 96 F 0.66014065065899 0.21757235556504 0.73609523057778 18.998 > 24 97 F 0.33985934934100 0.71757235556504 0.01390476942222 18.998 > 25 98 F 0.83985934934100 0.71757235556504 0.01390476942222 18.998 > 25 99 F 0.33985934934100 0.71757235556504 0.51390476942222 18.998 > 25 100 F 0.83985934934100 0.71757235556504 0.51390476942222 18.998 > 25 101 F 0.49254199824323 0.62286651922678 0.48575949525256 18.998 > 26 102 F 0.99254199824323 0.62286651922678 0.48575949525256 18.998 > 26 103 F 0.49254199824323 0.62286651922678 0.98575949525256 18.998 > 26 104 F 0.99254199824323 0.62286651922678 0.98575949525256 18.998 > 26 105 F 0.13591128470699 0.96238770457940 0.41164759695933 18.998 > 27 106 F 0.63591128470699 0.96238770457940 0.41164759695933 18.998 > 27 107 F 0.13591128470699 0.96238770457940 0.91164759695933 18.998 > 27 108 F 0.63591128470699 0.96238770457940 0.91164759695933 18.998 > 27 109 F 0.03572969675605 0.39446829844702 0.31972768793628 18.998 > 28 110 F 0.53572969675605 0.39446829844702 0.31972768793628 18.998 > 28 111 F 0.03572969675605 0.39446829844702 0.81972768793628 18.998 > 28 112 F 0.53572969675605 0.39446829844702 0.81972768793628 18.998 > 28 113 F 0.08225409177007 0.65457667409830 0.39450080558292 18.998 > 29 114 F 0.58225409177007 0.65457667409830 0.39450080558292 18.998 > 29 115 F 0.08225409177007 0.65457667409830 0.89450080558292 18.998 > 29 116 F 0.58225409177007 0.65457667409830 0.89450080558292 18.998 > 29 117 F 0.36408871529301 0.46238770457940 0.33835240304067 18.998 > 30 118 F 0.86408871529301 0.46238770457940 0.33835240304067 18.998 > 30 119 F 0.36408871529301 0.46238770457940 0.83835240304067 18.998 > 30 120 F 0.86408871529301 0.46238770457940 0.83835240304067 18.998 > 30 121 F 0.27281584643634 0.03230577632207 0.19162945377020 18.998 > 31 122 F 0.77281584643634 0.03230577632207 0.19162945377020 18.998 > 31 123 F 0.27281584643634 0.03230577632207 0.69162945377020 18.998 > 31 124 F 0.77281584643634 0.03230577632207 0.69162945377020 18.998 > 31 125 F 0.41774590822993 0.15457667409830 0.35549919441708 18.998 > 32 126 F 0.91774590822993 0.15457667409830 0.35549919441708 18.998 > 32 127 F 0.41774590822993 0.15457667409830 0.85549919441708 18.998 > 32 128 F 0.91774590822993 0.15457667409830 0.85549919441708 18.998 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6414069 0.0000000 -0.0041466 0.0000000 2.5728576 0.0000000 -0.0041453 0.0000000 2.6671494 -------------------------- Born effective charges -------------------------- 1 Ba 2.7196279 0.0127781 -0.0270877 0.2368384 2.6917133 -0.3656796 -0.0402340 -0.2886658 2.8582739 2 Ba 2.7196279 -0.0127781 -0.0270877 -0.2368384 2.6917133 0.3656796 -0.0402340 0.2886658 2.8582739 3 Ba 2.7196279 0.0127781 -0.0270877 0.2368384 2.6917133 -0.3656796 -0.0402340 -0.2886658 2.8582739 4 Ba 2.7196279 -0.0127781 -0.0270877 -0.2368384 2.6917133 0.3656796 -0.0402340 0.2886658 2.8582739 5 Zr 4.6360076 -0.0355424 -0.0003191 -0.0268378 4.2094444 0.0988235 0.0240794 0.0415432 4.6341117 6 Zr 4.6360076 0.0355424 -0.0003191 0.0268378 4.2094444 -0.0988235 0.0240794 -0.0415432 4.6341117 7 Zr 4.6360076 -0.0355424 -0.0003191 -0.0268378 4.2094444 0.0988235 0.0240794 0.0415432 4.6341117 8 Zr 4.6360076 0.0355424 -0.0003191 0.0268378 4.2094444 -0.0988235 0.0240794 -0.0415432 4.6341117 9 F -0.9783395 -0.0873607 0.1786102 -0.1096483 -0.8559997 0.4429473 0.1811086 0.3960991 -1.6903260 10 F -1.6133580 0.0109158 0.4417016 -0.0011602 -1.0043311 0.0561037 0.4315532 0.0259051 -1.0550585 11 F -1.2075077 -0.1314759 -0.3245381 -0.1212235 -1.0978968 -0.0995821 -0.3177396 -0.1225777 -1.3898920 12 F -0.9783395 0.0873607 0.1786102 0.1096483 -0.8559997 -0.4429473 0.1811086 -0.3960991 -1.6903260 13 F -1.0836953 0.3779304 0.2511437 0.3859623 -1.6187240 -0.2632422 0.2485738 -0.2900216 -0.9066367 14 F -1.2075077 -0.1314759 -0.3245381 -0.1212235 -1.0978968 -0.0995821 -0.3177396 -0.1225777 -1.3898920 15 F -1.1102386 -0.4816681 -0.0472187 -0.4571932 -1.4406299 -0.2195391 -0.0310910 -0.2581264 -1.0431787 16 F -1.0836953 -0.3779304 0.2511437 -0.3859623 -1.6187240 0.2632422 0.2485738 0.2900216 -0.9066367 17 F -1.2075077 0.1314759 -0.3245381 0.1212235 -1.0978968 0.0995821 -0.3177396 0.1225777 -1.3898920 18 F -1.3624964 0.1752677 -0.4722919 0.1445207 -0.8835762 -0.1098657 -0.4962503 -0.0962157 -1.4072937 19 F -1.3624964 -0.1752677 -0.4722919 -0.1445207 -0.8835762 0.1098657 -0.4962503 0.0962157 -1.4072937 20 F -1.6133580 0.0109158 0.4417016 -0.0011602 -1.0043311 0.0561037 0.4315532 0.0259051 -1.0550585 21 F -1.1102386 0.4816681 -0.0472187 0.4571932 -1.4406299 0.2195391 -0.0310910 0.2581264 -1.0431787 22 F -1.6133580 -0.0109158 0.4417016 0.0011602 -1.0043311 -0.0561037 0.4315532 -0.0259051 -1.0550585 23 F -0.9783395 -0.0873607 0.1786102 -0.1096483 -0.8559997 0.4429473 0.1811086 0.3960991 -1.6903260 24 F -1.1102386 -0.4816681 -0.0472187 -0.4571932 -1.4406299 -0.2195391 -0.0310910 -0.2581264 -1.0431787 25 F -1.1102386 0.4816681 -0.0472187 0.4571932 -1.4406299 0.2195391 -0.0310910 0.2581264 -1.0431787 26 F -1.6133580 -0.0109158 0.4417016 0.0011602 -1.0043311 -0.0561037 0.4315532 -0.0259051 -1.0550585 27 F -1.3624964 -0.1752677 -0.4722919 -0.1445207 -0.8835762 0.1098657 -0.4962503 0.0962157 -1.4072937 28 F -0.9783395 0.0873607 0.1786102 0.1096483 -0.8559997 -0.4429473 0.1811086 -0.3960991 -1.6903260 29 F -1.0836953 -0.3779304 0.2511437 -0.3859623 -1.6187240 0.2632422 0.2485738 0.2900216 -0.9066367 30 F -1.3624964 0.1752677 -0.4722919 0.1445207 -0.8835762 -0.1098657 -0.4962503 -0.0962157 -1.4072937 31 F -1.2075077 0.1314759 -0.3245381 0.1212235 -1.0978968 0.0995821 -0.3177396 0.1225777 -1.3898920 32 F -1.0836953 0.3779304 0.2511437 0.3859623 -1.6187240 -0.2632422 0.2485738 -0.2900216 -0.9066367 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.292 Solver_block: 200 / 960 - Time: 1.128 Solver_block: 300 / 960 - Time: 1.146 Solver_block: 400 / 960 - Time: 1.128 Solver_block: 500 / 960 - Time: 1.129 Solver_block: 600 / 960 - Time: 1.127 Solver_block: 700 / 960 - Time: 1.155 Solver_block: 800 / 960 - Time: 1.137 Solver_block: 900 / 960 - Time: 1.152 Solver_block: 960 / 960 - Time: 0.779 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 12:52:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:52:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.511398173043342 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -5.537264180200492 0.000000000000000 7.271441106647909 Atomic positions (fractional): 1 Ba 0.41244992423422 0.68146049519882 0.63730006514005 137.327 2 Ba 0.41244992423422 0.81853950480118 0.13730006514005 137.327 3 Ba 0.58755007576578 0.31853950480118 0.36269993485995 137.327 4 Ba 0.58755007576578 0.18146049519882 0.86269993485995 137.327 5 Zr 0.87887666679129 0.53524398312460 0.13491282033032 91.224 6 Zr 0.87887666679129 0.96475601687540 0.63491282033032 91.224 7 Zr 0.12112333320871 0.46475601687540 0.86508717966968 91.224 8 Zr 0.12112333320871 0.03524398312460 0.36508717966968 91.224 9 F 0.92854060648790 0.89446829844702 0.86054462412745 18.998 10 F 0.98508399648647 0.87713348077322 0.47151899050512 18.998 11 F 0.45436830712732 0.53230577632207 0.11674109245959 18.998 12 F 0.92854060648790 0.60553170155298 0.36054462412744 18.998 13 F 0.16450818354014 0.84542332590170 0.28900161116583 18.998 14 F 0.54563169287268 0.46769422367793 0.88325890754041 18.998 15 F 0.67971869868201 0.78242764443496 0.52780953884444 18.998 16 F 0.83549181645986 0.34542332590170 0.21099838883417 18.998 17 F 0.45436830712732 0.96769422367793 0.61674109245959 18.998 18 F 0.27182256941399 0.53761229542060 0.32329519391865 18.998 19 F 0.72817743058601 0.03761229542060 0.17670480608135 18.998 20 F 0.01491600351353 0.12286651922678 0.52848100949488 18.998 21 F 0.32028130131799 0.28242764443496 0.97219046115556 18.998 22 F 0.01491600351353 0.37713348077322 0.02848100949488 18.998 23 F 0.07145939351210 0.10553170155298 0.13945537587255 18.998 24 F 0.32028130131799 0.21757235556504 0.47219046115556 18.998 25 F 0.67971869868201 0.71757235556504 0.02780953884444 18.998 26 F 0.98508399648647 0.62286651922678 0.97151899050512 18.998 27 F 0.27182256941399 0.96238770457940 0.82329519391865 18.998 28 F 0.07145939351210 0.39446829844702 0.63945537587255 18.998 29 F 0.16450818354014 0.65457667409830 0.78900161116583 18.998 30 F 0.72817743058601 0.46238770457940 0.67670480608135 18.998 31 F 0.54563169287268 0.03230577632207 0.38325890754041 18.998 32 F 0.83549181645986 0.15457667409830 0.71099838883417 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.022796346086684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -11.074528360400985 0.000000000000000 14.542882213295819 Atomic positions (fractional): 1 Ba 0.20622496211711 0.68146049519882 0.31865003257002 137.327 > 1 2 Ba 0.70622496211711 0.68146049519882 0.31865003257002 137.327 > 1 3 Ba 0.20622496211711 0.68146049519882 0.81865003257002 137.327 > 1 4 Ba 0.70622496211711 0.68146049519882 0.81865003257002 137.327 > 1 5 Ba 0.20622496211711 0.81853950480118 0.06865003257002 137.327 > 5 6 Ba 0.70622496211711 0.81853950480118 0.06865003257002 137.327 > 5 7 Ba 0.20622496211711 0.81853950480118 0.56865003257002 137.327 > 5 8 Ba 0.70622496211711 0.81853950480118 0.56865003257002 137.327 > 5 9 Ba 0.29377503788289 0.31853950480118 0.18134996742998 137.327 > 9 10 Ba 0.79377503788289 0.31853950480118 0.18134996742998 137.327 > 9 11 Ba 0.29377503788289 0.31853950480118 0.68134996742998 137.327 > 9 12 Ba 0.79377503788289 0.31853950480118 0.68134996742998 137.327 > 9 13 Ba 0.29377503788289 0.18146049519882 0.43134996742998 137.327 > 13 14 Ba 0.79377503788289 0.18146049519882 0.43134996742998 137.327 > 13 15 Ba 0.29377503788289 0.18146049519882 0.93134996742998 137.327 > 13 16 Ba 0.79377503788289 0.18146049519882 0.93134996742998 137.327 > 13 17 Zr 0.43943833339564 0.53524398312460 0.06745641016516 91.224 > 17 18 Zr 0.93943833339564 0.53524398312460 0.06745641016516 91.224 > 17 19 Zr 0.43943833339564 0.53524398312460 0.56745641016516 91.224 > 17 20 Zr 0.93943833339564 0.53524398312460 0.56745641016516 91.224 > 17 21 Zr 0.43943833339564 0.96475601687540 0.31745641016516 91.224 > 21 22 Zr 0.93943833339564 0.96475601687540 0.31745641016516 91.224 > 21 23 Zr 0.43943833339564 0.96475601687540 0.81745641016516 91.224 > 21 24 Zr 0.93943833339564 0.96475601687540 0.81745641016516 91.224 > 21 25 Zr 0.06056166660436 0.46475601687540 0.43254358983484 91.224 > 25 26 Zr 0.56056166660436 0.46475601687540 0.43254358983484 91.224 > 25 27 Zr 0.06056166660436 0.46475601687540 0.93254358983484 91.224 > 25 28 Zr 0.56056166660436 0.46475601687540 0.93254358983484 91.224 > 25 29 Zr 0.06056166660436 0.03524398312460 0.18254358983484 91.224 > 29 30 Zr 0.56056166660436 0.03524398312460 0.18254358983484 91.224 > 29 31 Zr 0.06056166660436 0.03524398312460 0.68254358983484 91.224 > 29 32 Zr 0.56056166660436 0.03524398312460 0.68254358983484 91.224 > 29 33 F 0.46427030324395 0.89446829844702 0.43027231206372 18.998 > 33 34 F 0.96427030324395 0.89446829844702 0.43027231206372 18.998 > 33 35 F 0.46427030324395 0.89446829844702 0.93027231206372 18.998 > 33 36 F 0.96427030324395 0.89446829844702 0.93027231206372 18.998 > 33 37 F 0.49254199824323 0.87713348077322 0.23575949525256 18.998 > 37 38 F 0.99254199824323 0.87713348077322 0.23575949525256 18.998 > 37 39 F 0.49254199824323 0.87713348077322 0.73575949525256 18.998 > 37 40 F 0.99254199824323 0.87713348077322 0.73575949525256 18.998 > 37 41 F 0.22718415356366 0.53230577632207 0.05837054622980 18.998 > 41 42 F 0.72718415356366 0.53230577632207 0.05837054622980 18.998 > 41 43 F 0.22718415356366 0.53230577632207 0.55837054622980 18.998 > 41 44 F 0.72718415356366 0.53230577632207 0.55837054622980 18.998 > 41 45 F 0.46427030324395 0.60553170155298 0.18027231206372 18.998 > 45 46 F 0.96427030324395 0.60553170155298 0.18027231206372 18.998 > 45 47 F 0.46427030324395 0.60553170155298 0.68027231206372 18.998 > 45 48 F 0.96427030324395 0.60553170155298 0.68027231206372 18.998 > 45 49 F 0.08225409177007 0.84542332590170 0.14450080558292 18.998 > 49 50 F 0.58225409177007 0.84542332590170 0.14450080558292 18.998 > 49 51 F 0.08225409177007 0.84542332590170 0.64450080558292 18.998 > 49 52 F 0.58225409177007 0.84542332590170 0.64450080558292 18.998 > 49 53 F 0.27281584643634 0.46769422367793 0.44162945377020 18.998 > 53 54 F 0.77281584643634 0.46769422367793 0.44162945377020 18.998 > 53 55 F 0.27281584643634 0.46769422367793 0.94162945377020 18.998 > 53 56 F 0.77281584643634 0.46769422367793 0.94162945377020 18.998 > 53 57 F 0.33985934934100 0.78242764443496 0.26390476942222 18.998 > 57 58 F 0.83985934934100 0.78242764443496 0.26390476942222 18.998 > 57 59 F 0.33985934934100 0.78242764443496 0.76390476942222 18.998 > 57 60 F 0.83985934934100 0.78242764443496 0.76390476942222 18.998 > 57 61 F 0.41774590822993 0.34542332590170 0.10549919441708 18.998 > 61 62 F 0.91774590822993 0.34542332590170 0.10549919441708 18.998 > 61 63 F 0.41774590822993 0.34542332590170 0.60549919441708 18.998 > 61 64 F 0.91774590822993 0.34542332590170 0.60549919441708 18.998 > 61 65 F 0.22718415356366 0.96769422367793 0.30837054622980 18.998 > 65 66 F 0.72718415356366 0.96769422367793 0.30837054622980 18.998 > 65 67 F 0.22718415356366 0.96769422367793 0.80837054622980 18.998 > 65 68 F 0.72718415356366 0.96769422367793 0.80837054622980 18.998 > 65 69 F 0.13591128470699 0.53761229542060 0.16164759695933 18.998 > 69 70 F 0.63591128470699 0.53761229542060 0.16164759695933 18.998 > 69 71 F 0.13591128470699 0.53761229542060 0.66164759695933 18.998 > 69 72 F 0.63591128470699 0.53761229542060 0.66164759695933 18.998 > 69 73 F 0.36408871529301 0.03761229542060 0.08835240304067 18.998 > 73 74 F 0.86408871529301 0.03761229542060 0.08835240304067 18.998 > 73 75 F 0.36408871529301 0.03761229542060 0.58835240304067 18.998 > 73 76 F 0.86408871529301 0.03761229542060 0.58835240304067 18.998 > 73 77 F 0.00745800175677 0.12286651922678 0.26424050474744 18.998 > 77 78 F 0.50745800175677 0.12286651922678 0.26424050474744 18.998 > 77 79 F 0.00745800175677 0.12286651922678 0.76424050474744 18.998 > 77 80 F 0.50745800175677 0.12286651922678 0.76424050474744 18.998 > 77 81 F 0.16014065065899 0.28242764443496 0.48609523057778 18.998 > 81 82 F 0.66014065065899 0.28242764443496 0.48609523057778 18.998 > 81 83 F 0.16014065065899 0.28242764443496 0.98609523057778 18.998 > 81 84 F 0.66014065065899 0.28242764443496 0.98609523057778 18.998 > 81 85 F 0.00745800175677 0.37713348077322 0.01424050474744 18.998 > 85 86 F 0.50745800175677 0.37713348077322 0.01424050474744 18.998 > 85 87 F 0.00745800175677 0.37713348077322 0.51424050474744 18.998 > 85 88 F 0.50745800175677 0.37713348077322 0.51424050474744 18.998 > 85 89 F 0.03572969675605 0.10553170155298 0.06972768793628 18.998 > 89 90 F 0.53572969675605 0.10553170155298 0.06972768793628 18.998 > 89 91 F 0.03572969675605 0.10553170155298 0.56972768793628 18.998 > 89 92 F 0.53572969675605 0.10553170155298 0.56972768793628 18.998 > 89 93 F 0.16014065065899 0.21757235556504 0.23609523057778 18.998 > 93 94 F 0.66014065065899 0.21757235556504 0.23609523057778 18.998 > 93 95 F 0.16014065065899 0.21757235556504 0.73609523057778 18.998 > 93 96 F 0.66014065065899 0.21757235556504 0.73609523057778 18.998 > 93 97 F 0.33985934934100 0.71757235556504 0.01390476942222 18.998 > 97 98 F 0.83985934934100 0.71757235556504 0.01390476942222 18.998 > 97 99 F 0.33985934934100 0.71757235556504 0.51390476942222 18.998 > 97 100 F 0.83985934934100 0.71757235556504 0.51390476942222 18.998 > 97 101 F 0.49254199824323 0.62286651922678 0.48575949525256 18.998 > 101 102 F 0.99254199824323 0.62286651922678 0.48575949525256 18.998 > 101 103 F 0.49254199824323 0.62286651922678 0.98575949525256 18.998 > 101 104 F 0.99254199824323 0.62286651922678 0.98575949525256 18.998 > 101 105 F 0.13591128470699 0.96238770457940 0.41164759695933 18.998 > 105 106 F 0.63591128470699 0.96238770457940 0.41164759695933 18.998 > 105 107 F 0.13591128470699 0.96238770457940 0.91164759695933 18.998 > 105 108 F 0.63591128470699 0.96238770457940 0.91164759695933 18.998 > 105 109 F 0.03572969675605 0.39446829844702 0.31972768793628 18.998 > 109 110 F 0.53572969675605 0.39446829844702 0.31972768793628 18.998 > 109 111 F 0.03572969675605 0.39446829844702 0.81972768793628 18.998 > 109 112 F 0.53572969675605 0.39446829844702 0.81972768793628 18.998 > 109 113 F 0.08225409177007 0.65457667409830 0.39450080558292 18.998 > 113 114 F 0.58225409177007 0.65457667409830 0.39450080558292 18.998 > 113 115 F 0.08225409177007 0.65457667409830 0.89450080558292 18.998 > 113 116 F 0.58225409177007 0.65457667409830 0.89450080558292 18.998 > 113 117 F 0.36408871529301 0.46238770457940 0.33835240304067 18.998 > 117 118 F 0.86408871529301 0.46238770457940 0.33835240304067 18.998 > 117 119 F 0.36408871529301 0.46238770457940 0.83835240304067 18.998 > 117 120 F 0.86408871529301 0.46238770457940 0.83835240304067 18.998 > 117 121 F 0.27281584643634 0.03230577632207 0.19162945377020 18.998 > 121 122 F 0.77281584643634 0.03230577632207 0.19162945377020 18.998 > 121 123 F 0.27281584643634 0.03230577632207 0.69162945377020 18.998 > 121 124 F 0.77281584643634 0.03230577632207 0.69162945377020 18.998 > 121 125 F 0.41774590822993 0.15457667409830 0.35549919441708 18.998 > 125 126 F 0.91774590822993 0.15457667409830 0.35549919441708 18.998 > 125 127 F 0.41774590822993 0.15457667409830 0.85549919441708 18.998 > 125 128 F 0.91774590822993 0.15457667409830 0.85549919441708 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6414069 0.0000000 -0.0041466 0.0000000 2.5728576 0.0000000 -0.0041453 0.0000000 2.6671494 -------------------------- Born effective charges -------------------------- 1 Ba 2.7196279 0.0127781 -0.0270877 0.2368384 2.6917133 -0.3656796 -0.0402340 -0.2886658 2.8582739 2 Ba 2.7196279 -0.0127781 -0.0270877 -0.2368384 2.6917133 0.3656796 -0.0402340 0.2886658 2.8582739 3 Ba 2.7196279 0.0127781 -0.0270877 0.2368384 2.6917133 -0.3656796 -0.0402340 -0.2886658 2.8582739 4 Ba 2.7196279 -0.0127781 -0.0270877 -0.2368384 2.6917133 0.3656796 -0.0402340 0.2886658 2.8582739 5 Zr 4.6360076 -0.0355424 -0.0003191 -0.0268378 4.2094444 0.0988235 0.0240794 0.0415432 4.6341117 6 Zr 4.6360076 0.0355424 -0.0003191 0.0268378 4.2094444 -0.0988235 0.0240794 -0.0415432 4.6341117 7 Zr 4.6360076 -0.0355424 -0.0003191 -0.0268378 4.2094444 0.0988235 0.0240794 0.0415432 4.6341117 8 Zr 4.6360076 0.0355424 -0.0003191 0.0268378 4.2094444 -0.0988235 0.0240794 -0.0415432 4.6341117 9 F -0.9783395 -0.0873607 0.1786102 -0.1096483 -0.8559997 0.4429473 0.1811086 0.3960991 -1.6903260 10 F -1.6133580 0.0109158 0.4417016 -0.0011602 -1.0043311 0.0561037 0.4315532 0.0259051 -1.0550585 11 F -1.2075077 -0.1314759 -0.3245381 -0.1212235 -1.0978968 -0.0995821 -0.3177396 -0.1225777 -1.3898920 12 F -0.9783395 0.0873607 0.1786102 0.1096483 -0.8559997 -0.4429473 0.1811086 -0.3960991 -1.6903260 13 F -1.0836953 0.3779304 0.2511437 0.3859623 -1.6187240 -0.2632422 0.2485738 -0.2900216 -0.9066367 14 F -1.2075077 -0.1314759 -0.3245381 -0.1212235 -1.0978968 -0.0995821 -0.3177396 -0.1225777 -1.3898920 15 F -1.1102386 -0.4816681 -0.0472187 -0.4571932 -1.4406299 -0.2195391 -0.0310910 -0.2581264 -1.0431787 16 F -1.0836953 -0.3779304 0.2511437 -0.3859623 -1.6187240 0.2632422 0.2485738 0.2900216 -0.9066367 17 F -1.2075077 0.1314759 -0.3245381 0.1212235 -1.0978968 0.0995821 -0.3177396 0.1225777 -1.3898920 18 F -1.3624964 0.1752677 -0.4722919 0.1445207 -0.8835762 -0.1098657 -0.4962503 -0.0962157 -1.4072937 19 F -1.3624964 -0.1752677 -0.4722919 -0.1445207 -0.8835762 0.1098657 -0.4962503 0.0962157 -1.4072937 20 F -1.6133580 0.0109158 0.4417016 -0.0011602 -1.0043311 0.0561037 0.4315532 0.0259051 -1.0550585 21 F -1.1102386 0.4816681 -0.0472187 0.4571932 -1.4406299 0.2195391 -0.0310910 0.2581264 -1.0431787 22 F -1.6133580 -0.0109158 0.4417016 0.0011602 -1.0043311 -0.0561037 0.4315532 -0.0259051 -1.0550585 23 F -0.9783395 -0.0873607 0.1786102 -0.1096483 -0.8559997 0.4429473 0.1811086 0.3960991 -1.6903260 24 F -1.1102386 -0.4816681 -0.0472187 -0.4571932 -1.4406299 -0.2195391 -0.0310910 -0.2581264 -1.0431787 25 F -1.1102386 0.4816681 -0.0472187 0.4571932 -1.4406299 0.2195391 -0.0310910 0.2581264 -1.0431787 26 F -1.6133580 -0.0109158 0.4417016 0.0011602 -1.0043311 -0.0561037 0.4315532 -0.0259051 -1.0550585 27 F -1.3624964 -0.1752677 -0.4722919 -0.1445207 -0.8835762 0.1098657 -0.4962503 0.0962157 -1.4072937 28 F -0.9783395 0.0873607 0.1786102 0.1096483 -0.8559997 -0.4429473 0.1811086 -0.3960991 -1.6903260 29 F -1.0836953 -0.3779304 0.2511437 -0.3859623 -1.6187240 0.2632422 0.2485738 0.2900216 -0.9066367 30 F -1.3624964 0.1752677 -0.4722919 0.1445207 -0.8835762 -0.1098657 -0.4962503 -0.0962157 -1.4072937 31 F -1.2075077 0.1314759 -0.3245381 0.1212235 -1.0978968 0.0995821 -0.3177396 0.1225777 -1.3898920 32 F -1.0836953 0.3779304 0.2511437 0.3859623 -1.6187240 -0.2632422 0.2485738 -0.2900216 -0.9066367 ---------------------------------------------------------------------------- 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] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Computing fc3[ 37, 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] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Computing fc3[ 41, 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] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] 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] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0080] [ 0.0061 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzy) -0.00000001 (xzy) -0.00000001 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) 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 12:53:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:53:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.511398173043342 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -5.537264180200492 0.000000000000000 7.271441106647909 Atomic positions (fractional): 1 Ba 0.41244992423422 0.68146049519882 0.63730006514005 137.327 2 Ba 0.41244992423422 0.81853950480118 0.13730006514005 137.327 3 Ba 0.58755007576578 0.31853950480118 0.36269993485995 137.327 4 Ba 0.58755007576578 0.18146049519882 0.86269993485995 137.327 5 Zr 0.87887666679129 0.53524398312460 0.13491282033032 91.224 6 Zr 0.87887666679129 0.96475601687540 0.63491282033032 91.224 7 Zr 0.12112333320871 0.46475601687540 0.86508717966968 91.224 8 Zr 0.12112333320871 0.03524398312460 0.36508717966968 91.224 9 F 0.92854060648790 0.89446829844702 0.86054462412745 18.998 10 F 0.98508399648647 0.87713348077322 0.47151899050512 18.998 11 F 0.45436830712732 0.53230577632207 0.11674109245959 18.998 12 F 0.92854060648790 0.60553170155298 0.36054462412744 18.998 13 F 0.16450818354014 0.84542332590170 0.28900161116583 18.998 14 F 0.54563169287268 0.46769422367793 0.88325890754041 18.998 15 F 0.67971869868201 0.78242764443496 0.52780953884444 18.998 16 F 0.83549181645986 0.34542332590170 0.21099838883417 18.998 17 F 0.45436830712732 0.96769422367793 0.61674109245959 18.998 18 F 0.27182256941399 0.53761229542060 0.32329519391865 18.998 19 F 0.72817743058601 0.03761229542060 0.17670480608135 18.998 20 F 0.01491600351353 0.12286651922678 0.52848100949488 18.998 21 F 0.32028130131799 0.28242764443496 0.97219046115556 18.998 22 F 0.01491600351353 0.37713348077322 0.02848100949488 18.998 23 F 0.07145939351210 0.10553170155298 0.13945537587255 18.998 24 F 0.32028130131799 0.21757235556504 0.47219046115556 18.998 25 F 0.67971869868201 0.71757235556504 0.02780953884444 18.998 26 F 0.98508399648647 0.62286651922678 0.97151899050512 18.998 27 F 0.27182256941399 0.96238770457940 0.82329519391865 18.998 28 F 0.07145939351210 0.39446829844702 0.63945537587255 18.998 29 F 0.16450818354014 0.65457667409830 0.78900161116583 18.998 30 F 0.72817743058601 0.46238770457940 0.67670480608135 18.998 31 F 0.54563169287268 0.03230577632207 0.38325890754041 18.998 32 F 0.83549181645986 0.15457667409830 0.71099838883417 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.022796346086684 0.000000000000000 0.000000000000000 b 0.000000000000000 9.537789650000001 0.000000000000000 c -11.074528360400985 0.000000000000000 14.542882213295819 Atomic positions (fractional): 1 Ba 0.20622496211711 0.68146049519882 0.31865003257002 137.327 > 1 2 Ba 0.70622496211711 0.68146049519882 0.31865003257002 137.327 > 1 3 Ba 0.20622496211711 0.68146049519882 0.81865003257002 137.327 > 1 4 Ba 0.70622496211711 0.68146049519882 0.81865003257002 137.327 > 1 5 Ba 0.20622496211711 0.81853950480118 0.06865003257002 137.327 > 5 6 Ba 0.70622496211711 0.81853950480118 0.06865003257002 137.327 > 5 7 Ba 0.20622496211711 0.81853950480118 0.56865003257002 137.327 > 5 8 Ba 0.70622496211711 0.81853950480118 0.56865003257002 137.327 > 5 9 Ba 0.29377503788289 0.31853950480118 0.18134996742998 137.327 > 9 10 Ba 0.79377503788289 0.31853950480118 0.18134996742998 137.327 > 9 11 Ba 0.29377503788289 0.31853950480118 0.68134996742998 137.327 > 9 12 Ba 0.79377503788289 0.31853950480118 0.68134996742998 137.327 > 9 13 Ba 0.29377503788289 0.18146049519882 0.43134996742998 137.327 > 13 14 Ba 0.79377503788289 0.18146049519882 0.43134996742998 137.327 > 13 15 Ba 0.29377503788289 0.18146049519882 0.93134996742998 137.327 > 13 16 Ba 0.79377503788289 0.18146049519882 0.93134996742998 137.327 > 13 17 Zr 0.43943833339564 0.53524398312460 0.06745641016516 91.224 > 17 18 Zr 0.93943833339564 0.53524398312460 0.06745641016516 91.224 > 17 19 Zr 0.43943833339564 0.53524398312460 0.56745641016516 91.224 > 17 20 Zr 0.93943833339564 0.53524398312460 0.56745641016516 91.224 > 17 21 Zr 0.43943833339564 0.96475601687540 0.31745641016516 91.224 > 21 22 Zr 0.93943833339564 0.96475601687540 0.31745641016516 91.224 > 21 23 Zr 0.43943833339564 0.96475601687540 0.81745641016516 91.224 > 21 24 Zr 0.93943833339564 0.96475601687540 0.81745641016516 91.224 > 21 25 Zr 0.06056166660436 0.46475601687540 0.43254358983484 91.224 > 25 26 Zr 0.56056166660436 0.46475601687540 0.43254358983484 91.224 > 25 27 Zr 0.06056166660436 0.46475601687540 0.93254358983484 91.224 > 25 28 Zr 0.56056166660436 0.46475601687540 0.93254358983484 91.224 > 25 29 Zr 0.06056166660436 0.03524398312460 0.18254358983484 91.224 > 29 30 Zr 0.56056166660436 0.03524398312460 0.18254358983484 91.224 > 29 31 Zr 0.06056166660436 0.03524398312460 0.68254358983484 91.224 > 29 32 Zr 0.56056166660436 0.03524398312460 0.68254358983484 91.224 > 29 33 F 0.46427030324395 0.89446829844702 0.43027231206372 18.998 > 33 34 F 0.96427030324395 0.89446829844702 0.43027231206372 18.998 > 33 35 F 0.46427030324395 0.89446829844702 0.93027231206372 18.998 > 33 36 F 0.96427030324395 0.89446829844702 0.93027231206372 18.998 > 33 37 F 0.49254199824323 0.87713348077322 0.23575949525256 18.998 > 37 38 F 0.99254199824323 0.87713348077322 0.23575949525256 18.998 > 37 39 F 0.49254199824323 0.87713348077322 0.73575949525256 18.998 > 37 40 F 0.99254199824323 0.87713348077322 0.73575949525256 18.998 > 37 41 F 0.22718415356366 0.53230577632207 0.05837054622980 18.998 > 41 42 F 0.72718415356366 0.53230577632207 0.05837054622980 18.998 > 41 43 F 0.22718415356366 0.53230577632207 0.55837054622980 18.998 > 41 44 F 0.72718415356366 0.53230577632207 0.55837054622980 18.998 > 41 45 F 0.46427030324395 0.60553170155298 0.18027231206372 18.998 > 45 46 F 0.96427030324395 0.60553170155298 0.18027231206372 18.998 > 45 47 F 0.46427030324395 0.60553170155298 0.68027231206372 18.998 > 45 48 F 0.96427030324395 0.60553170155298 0.68027231206372 18.998 > 45 49 F 0.08225409177007 0.84542332590170 0.14450080558292 18.998 > 49 50 F 0.58225409177007 0.84542332590170 0.14450080558292 18.998 > 49 51 F 0.08225409177007 0.84542332590170 0.64450080558292 18.998 > 49 52 F 0.58225409177007 0.84542332590170 0.64450080558292 18.998 > 49 53 F 0.27281584643634 0.46769422367793 0.44162945377020 18.998 > 53 54 F 0.77281584643634 0.46769422367793 0.44162945377020 18.998 > 53 55 F 0.27281584643634 0.46769422367793 0.94162945377020 18.998 > 53 56 F 0.77281584643634 0.46769422367793 0.94162945377020 18.998 > 53 57 F 0.33985934934100 0.78242764443496 0.26390476942222 18.998 > 57 58 F 0.83985934934100 0.78242764443496 0.26390476942222 18.998 > 57 59 F 0.33985934934100 0.78242764443496 0.76390476942222 18.998 > 57 60 F 0.83985934934100 0.78242764443496 0.76390476942222 18.998 > 57 61 F 0.41774590822993 0.34542332590170 0.10549919441708 18.998 > 61 62 F 0.91774590822993 0.34542332590170 0.10549919441708 18.998 > 61 63 F 0.41774590822993 0.34542332590170 0.60549919441708 18.998 > 61 64 F 0.91774590822993 0.34542332590170 0.60549919441708 18.998 > 61 65 F 0.22718415356366 0.96769422367793 0.30837054622980 18.998 > 65 66 F 0.72718415356366 0.96769422367793 0.30837054622980 18.998 > 65 67 F 0.22718415356366 0.96769422367793 0.80837054622980 18.998 > 65 68 F 0.72718415356366 0.96769422367793 0.80837054622980 18.998 > 65 69 F 0.13591128470699 0.53761229542060 0.16164759695933 18.998 > 69 70 F 0.63591128470699 0.53761229542060 0.16164759695933 18.998 > 69 71 F 0.13591128470699 0.53761229542060 0.66164759695933 18.998 > 69 72 F 0.63591128470699 0.53761229542060 0.66164759695933 18.998 > 69 73 F 0.36408871529301 0.03761229542060 0.08835240304067 18.998 > 73 74 F 0.86408871529301 0.03761229542060 0.08835240304067 18.998 > 73 75 F 0.36408871529301 0.03761229542060 0.58835240304067 18.998 > 73 76 F 0.86408871529301 0.03761229542060 0.58835240304067 18.998 > 73 77 F 0.00745800175677 0.12286651922678 0.26424050474744 18.998 > 77 78 F 0.50745800175677 0.12286651922678 0.26424050474744 18.998 > 77 79 F 0.00745800175677 0.12286651922678 0.76424050474744 18.998 > 77 80 F 0.50745800175677 0.12286651922678 0.76424050474744 18.998 > 77 81 F 0.16014065065899 0.28242764443496 0.48609523057778 18.998 > 81 82 F 0.66014065065899 0.28242764443496 0.48609523057778 18.998 > 81 83 F 0.16014065065899 0.28242764443496 0.98609523057778 18.998 > 81 84 F 0.66014065065899 0.28242764443496 0.98609523057778 18.998 > 81 85 F 0.00745800175677 0.37713348077322 0.01424050474744 18.998 > 85 86 F 0.50745800175677 0.37713348077322 0.01424050474744 18.998 > 85 87 F 0.00745800175677 0.37713348077322 0.51424050474744 18.998 > 85 88 F 0.50745800175677 0.37713348077322 0.51424050474744 18.998 > 85 89 F 0.03572969675605 0.10553170155298 0.06972768793628 18.998 > 89 90 F 0.53572969675605 0.10553170155298 0.06972768793628 18.998 > 89 91 F 0.03572969675605 0.10553170155298 0.56972768793628 18.998 > 89 92 F 0.53572969675605 0.10553170155298 0.56972768793628 18.998 > 89 93 F 0.16014065065899 0.21757235556504 0.23609523057778 18.998 > 93 94 F 0.66014065065899 0.21757235556504 0.23609523057778 18.998 > 93 95 F 0.16014065065899 0.21757235556504 0.73609523057778 18.998 > 93 96 F 0.66014065065899 0.21757235556504 0.73609523057778 18.998 > 93 97 F 0.33985934934100 0.71757235556504 0.01390476942222 18.998 > 97 98 F 0.83985934934100 0.71757235556504 0.01390476942222 18.998 > 97 99 F 0.33985934934100 0.71757235556504 0.51390476942222 18.998 > 97 100 F 0.83985934934100 0.71757235556504 0.51390476942222 18.998 > 97 101 F 0.49254199824323 0.62286651922678 0.48575949525256 18.998 > 101 102 F 0.99254199824323 0.62286651922678 0.48575949525256 18.998 > 101 103 F 0.49254199824323 0.62286651922678 0.98575949525256 18.998 > 101 104 F 0.99254199824323 0.62286651922678 0.98575949525256 18.998 > 101 105 F 0.13591128470699 0.96238770457940 0.41164759695933 18.998 > 105 106 F 0.63591128470699 0.96238770457940 0.41164759695933 18.998 > 105 107 F 0.13591128470699 0.96238770457940 0.91164759695933 18.998 > 105 108 F 0.63591128470699 0.96238770457940 0.91164759695933 18.998 > 105 109 F 0.03572969675605 0.39446829844702 0.31972768793628 18.998 > 109 110 F 0.53572969675605 0.39446829844702 0.31972768793628 18.998 > 109 111 F 0.03572969675605 0.39446829844702 0.81972768793628 18.998 > 109 112 F 0.53572969675605 0.39446829844702 0.81972768793628 18.998 > 109 113 F 0.08225409177007 0.65457667409830 0.39450080558292 18.998 > 113 114 F 0.58225409177007 0.65457667409830 0.39450080558292 18.998 > 113 115 F 0.08225409177007 0.65457667409830 0.89450080558292 18.998 > 113 116 F 0.58225409177007 0.65457667409830 0.89450080558292 18.998 > 113 117 F 0.36408871529301 0.46238770457940 0.33835240304067 18.998 > 117 118 F 0.86408871529301 0.46238770457940 0.33835240304067 18.998 > 117 119 F 0.36408871529301 0.46238770457940 0.83835240304067 18.998 > 117 120 F 0.86408871529301 0.46238770457940 0.83835240304067 18.998 > 117 121 F 0.27281584643634 0.03230577632207 0.19162945377020 18.998 > 121 122 F 0.77281584643634 0.03230577632207 0.19162945377020 18.998 > 121 123 F 0.27281584643634 0.03230577632207 0.69162945377020 18.998 > 121 124 F 0.77281584643634 0.03230577632207 0.69162945377020 18.998 > 121 125 F 0.41774590822993 0.15457667409830 0.35549919441708 18.998 > 125 126 F 0.91774590822993 0.15457667409830 0.35549919441708 18.998 > 125 127 F 0.41774590822993 0.15457667409830 0.85549919441708 18.998 > 125 128 F 0.91774590822993 0.15457667409830 0.85549919441708 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6414069 0.0000000 -0.0041466 0.0000000 2.5728576 0.0000000 -0.0041453 0.0000000 2.6671494 -------------------------- Born effective charges -------------------------- 1 Ba 2.7196279 0.0127781 -0.0270877 0.2368384 2.6917133 -0.3656796 -0.0402340 -0.2886658 2.8582739 2 Ba 2.7196279 -0.0127781 -0.0270877 -0.2368384 2.6917133 0.3656796 -0.0402340 0.2886658 2.8582739 3 Ba 2.7196279 0.0127781 -0.0270877 0.2368384 2.6917133 -0.3656796 -0.0402340 -0.2886658 2.8582739 4 Ba 2.7196279 -0.0127781 -0.0270877 -0.2368384 2.6917133 0.3656796 -0.0402340 0.2886658 2.8582739 5 Zr 4.6360076 -0.0355424 -0.0003191 -0.0268378 4.2094444 0.0988235 0.0240794 0.0415432 4.6341117 6 Zr 4.6360076 0.0355424 -0.0003191 0.0268378 4.2094444 -0.0988235 0.0240794 -0.0415432 4.6341117 7 Zr 4.6360076 -0.0355424 -0.0003191 -0.0268378 4.2094444 0.0988235 0.0240794 0.0415432 4.6341117 8 Zr 4.6360076 0.0355424 -0.0003191 0.0268378 4.2094444 -0.0988235 0.0240794 -0.0415432 4.6341117 9 F -0.9783395 -0.0873607 0.1786102 -0.1096483 -0.8559997 0.4429473 0.1811086 0.3960991 -1.6903260 10 F -1.6133580 0.0109158 0.4417016 -0.0011602 -1.0043311 0.0561037 0.4315532 0.0259051 -1.0550585 11 F -1.2075077 -0.1314759 -0.3245381 -0.1212235 -1.0978968 -0.0995821 -0.3177396 -0.1225777 -1.3898920 12 F -0.9783395 0.0873607 0.1786102 0.1096483 -0.8559997 -0.4429473 0.1811086 -0.3960991 -1.6903260 13 F -1.0836953 0.3779304 0.2511437 0.3859623 -1.6187240 -0.2632422 0.2485738 -0.2900216 -0.9066367 14 F -1.2075077 -0.1314759 -0.3245381 -0.1212235 -1.0978968 -0.0995821 -0.3177396 -0.1225777 -1.3898920 15 F -1.1102386 -0.4816681 -0.0472187 -0.4571932 -1.4406299 -0.2195391 -0.0310910 -0.2581264 -1.0431787 16 F -1.0836953 -0.3779304 0.2511437 -0.3859623 -1.6187240 0.2632422 0.2485738 0.2900216 -0.9066367 17 F -1.2075077 0.1314759 -0.3245381 0.1212235 -1.0978968 0.0995821 -0.3177396 0.1225777 -1.3898920 18 F -1.3624964 0.1752677 -0.4722919 0.1445207 -0.8835762 -0.1098657 -0.4962503 -0.0962157 -1.4072937 19 F -1.3624964 -0.1752677 -0.4722919 -0.1445207 -0.8835762 0.1098657 -0.4962503 0.0962157 -1.4072937 20 F -1.6133580 0.0109158 0.4417016 -0.0011602 -1.0043311 0.0561037 0.4315532 0.0259051 -1.0550585 21 F -1.1102386 0.4816681 -0.0472187 0.4571932 -1.4406299 0.2195391 -0.0310910 0.2581264 -1.0431787 22 F -1.6133580 -0.0109158 0.4417016 0.0011602 -1.0043311 -0.0561037 0.4315532 -0.0259051 -1.0550585 23 F -0.9783395 -0.0873607 0.1786102 -0.1096483 -0.8559997 0.4429473 0.1811086 0.3960991 -1.6903260 24 F -1.1102386 -0.4816681 -0.0472187 -0.4571932 -1.4406299 -0.2195391 -0.0310910 -0.2581264 -1.0431787 25 F -1.1102386 0.4816681 -0.0472187 0.4571932 -1.4406299 0.2195391 -0.0310910 0.2581264 -1.0431787 26 F -1.6133580 -0.0109158 0.4417016 0.0011602 -1.0043311 -0.0561037 0.4315532 -0.0259051 -1.0550585 27 F -1.3624964 -0.1752677 -0.4722919 -0.1445207 -0.8835762 0.1098657 -0.4962503 0.0962157 -1.4072937 28 F -0.9783395 0.0873607 0.1786102 0.1096483 -0.8559997 -0.4429473 0.1811086 -0.3960991 -1.6903260 29 F -1.0836953 -0.3779304 0.2511437 -0.3859623 -1.6187240 0.2632422 0.2485738 0.2900216 -0.9066367 30 F -1.3624964 0.1752677 -0.4722919 0.1445207 -0.8835762 -0.1098657 -0.4962503 -0.0962157 -1.4072937 31 F -1.2075077 0.1314759 -0.3245381 0.1212235 -1.0978968 0.0995821 -0.3177396 0.1225777 -1.3898920 32 F -1.0836953 0.3779304 0.2511437 0.3859623 -1.6187240 -0.2632422 0.2485738 -0.2900216 -0.9066367 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzy) -0.00000001 (xzy) -0.00000001 (xyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 291, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.963 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.704 ( 0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.673 ( 0.000 0.000 0.000) 0.000 12.786 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.140 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.334 ( 0.000 0.000 0.000) 0.000 14.390 ( 0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 15.011 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.395 ( 0.000 0.000 0.000) 0.000 16.477 ( 0.000 0.000 0.000) 0.000 16.573 ( 0.000 0.000 0.000) 0.000 16.925 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 20.546 0.000 1.776) 20.623 0.416 ( 19.115 0.000 9.254) 21.237 0.690 ( 19.678 0.000 28.679) 34.781 1.100 ( 2.796 0.000 17.595) 17.815 1.832 ( -5.929 0.000 -0.306) 5.936 1.868 ( -13.089 0.000 -2.389) 13.305 2.104 ( -0.684 0.000 -1.397) 1.556 2.147 ( -2.678 0.000 -0.858) 2.812 2.229 ( 2.322 0.000 -2.716) 3.574 2.384 ( -11.307 0.000 5.066) 12.390 2.449 ( 1.165 0.000 -2.214) 2.502 2.638 ( 4.724 0.000 0.394) 4.741 2.642 ( -7.577 0.000 -1.723) 7.771 2.796 ( 1.006 0.000 -1.680) 1.958 2.879 ( 3.298 0.000 -0.836) 3.402 2.908 ( -3.632 0.000 3.027) 4.728 3.067 ( 1.869 0.000 0.039) 1.869 3.072 ( -9.879 0.000 7.213) 12.232 3.185 ( 4.185 0.000 0.087) 4.186 3.266 ( 3.096 0.000 -3.447) 4.634 3.428 ( -18.072 0.000 17.650) 25.261 3.606 ( -7.549 0.000 1.043) 7.621 3.635 ( -6.787 0.000 4.318) 8.044 3.916 ( 3.992 0.000 -1.868) 4.408 4.108 ( -3.119 0.000 -1.157) 3.327 4.277 ( -11.454 0.000 -3.325) 11.927 4.405 ( -2.512 0.000 -5.444) 5.996 4.479 ( 0.872 0.000 1.817) 2.015 4.702 ( 1.614 0.000 2.538) 3.008 4.759 ( 4.647 0.000 2.060) 5.083 4.838 ( 2.853 0.000 -1.791) 3.369 4.867 ( 9.921 0.000 -11.271) 15.015 4.969 ( 10.118 0.000 -0.384) 10.126 5.096 ( -1.062 0.000 -0.382) 1.128 5.292 ( 7.083 0.000 -0.655) 7.113 5.364 ( 4.512 0.000 1.871) 4.885 5.555 ( 5.203 0.000 2.933) 5.972 5.671 ( 4.013 0.000 -3.441) 5.287 5.806 ( 23.468 0.000 -27.957) 36.501 5.947 ( 3.858 0.000 2.065) 4.376 6.279 ( 0.016 0.000 -3.728) 3.728 6.374 ( -3.341 0.000 0.165) 3.345 6.443 ( 0.226 0.000 -0.810) 0.841 6.514 ( -0.064 0.000 -5.566) 5.566 6.596 ( 1.376 0.000 1.309) 1.899 6.820 ( -3.069 0.000 3.058) 4.332 6.979 ( -1.431 0.000 -2.382) 2.779 6.980 ( 2.131 0.000 3.052) 3.723 7.227 ( -2.942 0.000 -5.208) 5.982 7.270 ( -2.168 0.000 1.460) 2.614 7.526 ( -4.914 0.000 -3.769) 6.193 7.622 ( 1.858 0.000 -2.450) 3.074 7.678 ( -1.707 0.000 3.971) 4.322 7.782 ( 3.558 0.000 4.831) 6.000 7.858 ( 6.796 0.000 -9.786) 11.915 8.005 ( 2.333 0.000 -1.326) 2.683 8.518 ( 4.200 0.000 -0.018) 4.200 8.660 ( -5.410 0.000 -3.555) 6.474 8.804 ( -6.036 0.000 0.836) 6.094 9.009 ( 1.197 0.000 2.664) 2.920 9.030 ( 4.514 0.000 0.069) 4.515 9.108 ( -1.994 0.000 -0.541) 2.066 9.484 ( 9.559 0.000 0.066) 9.559 9.510 ( -16.998 0.000 11.922) 20.762 9.673 ( -9.820 0.000 -2.442) 10.119 9.700 ( -6.945 0.000 0.589) 6.970 9.771 ( 5.609 0.000 3.901) 6.832 9.917 ( 1.737 0.000 0.714) 1.878 10.041 ( 10.534 0.000 -1.286) 10.612 10.194 ( 6.051 0.000 -1.865) 6.332 11.104 ( 3.201 0.000 2.565) 4.102 11.257 ( 0.655 0.000 -3.742) 3.798 11.298 ( 5.695 0.000 -7.271) 9.236 11.490 ( -0.688 0.000 -0.222) 0.723 12.240 ( -4.958 0.000 1.092) 5.076 12.483 ( 0.333 0.000 0.437) 0.549 12.537 ( -0.554 0.000 -0.226) 0.599 12.614 ( -5.865 0.000 -1.342) 6.017 12.771 ( -0.129 0.000 -2.017) 2.021 12.885 ( 1.328 0.000 -1.116) 1.735 13.287 ( 8.191 0.000 5.330) 9.772 13.626 ( 12.863 0.000 -20.883) 24.527 13.811 ( 20.956 0.000 -16.685) 26.787 13.945 ( 0.367 0.000 -2.509) 2.536 14.101 ( -1.994 0.000 -5.187) 5.557 14.185 ( 4.493 0.000 -5.173) 6.852 14.188 ( 0.301 0.000 1.528) 1.557 14.463 ( 3.575 0.000 5.085) 6.216 14.710 ( -0.419 0.000 -8.119) 8.130 15.019 ( -8.493 0.000 13.670) 16.093 16.322 ( 0.808 0.000 1.514) 1.716 16.323 ( -8.641 0.000 -3.699) 9.399 16.422 ( 6.637 0.000 -10.867) 12.733 16.574 ( -2.121 0.000 2.325) 3.147 16.718 ( -44.754 0.000 55.975) 71.667 16.943 ( 0.378 0.000 2.639) 2.666 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 20.737 0.000 1.273) 20.776 0.791 ( 16.070 0.000 8.245) 18.061 1.179 ( 6.673 0.000 14.161) 15.655 1.397 ( 3.243 0.000 22.390) 22.624 1.598 ( -18.484 0.000 0.196) 18.486 1.791 ( 1.294 0.000 6.422) 6.551 2.069 ( -1.754 0.000 -0.644) 1.869 2.071 ( -7.322 0.000 0.754) 7.361 2.236 ( -15.033 0.000 5.518) 16.014 2.240 ( 2.292 0.000 -1.115) 2.549 2.450 ( 4.442 0.000 -3.954) 5.946 2.536 ( -1.236 0.000 -6.574) 6.689 2.698 ( -3.311 0.000 -8.186) 8.830 2.742 ( 6.539 0.000 0.858) 6.595 2.881 ( -6.154 0.000 4.756) 7.778 2.965 ( -12.685 0.000 -0.162) 12.686 2.970 ( 2.559 0.000 5.187) 5.784 3.029 ( -4.754 0.000 0.046) 4.754 3.158 ( -9.633 0.000 3.006) 10.091 3.252 ( 1.613 0.000 1.531) 2.224 3.382 ( -12.195 0.000 9.580) 15.508 3.559 ( -0.187 0.000 -0.011) 0.187 3.640 ( 4.295 0.000 1.404) 4.519 3.816 ( -7.211 0.000 -4.305) 8.398 4.074 ( -12.124 0.000 0.928) 12.159 4.105 ( -2.609 0.000 2.421) 3.559 4.341 ( 3.700 0.000 -5.398) 6.545 4.490 ( -2.856 0.000 1.622) 3.284 4.726 ( 0.325 0.000 -0.328) 0.462 4.856 ( 4.358 0.000 -3.379) 5.514 4.888 ( 6.801 0.000 3.297) 7.558 4.916 ( 9.258 0.000 -5.119) 10.579 5.073 ( -1.805 0.000 0.236) 1.820 5.084 ( 5.663 0.000 -2.461) 6.174 5.411 ( 7.707 0.000 -0.968) 7.768 5.469 ( 7.847 0.000 0.221) 7.851 5.603 ( 1.170 0.000 -5.091) 5.223 5.773 ( 6.827 0.000 2.846) 7.396 5.912 ( 21.902 0.000 -8.957) 23.662 6.063 ( 5.867 0.000 4.447) 7.362 6.221 ( -1.403 0.000 -4.240) 4.466 6.304 ( -4.539 0.000 -0.997) 4.647 6.444 ( 2.210 0.000 -1.805) 2.853 6.467 ( 3.649 0.000 -5.477) 6.581 6.652 ( 4.471 0.000 0.408) 4.490 6.791 ( -1.852 0.000 -2.389) 3.023 6.920 ( -2.218 0.000 -1.856) 2.892 7.032 ( -1.927 0.000 3.033) 3.593 7.138 ( 1.945 0.000 -6.255) 6.551 7.249 ( -3.699 0.000 2.883) 4.690 7.403 ( -6.800 0.000 -1.296) 6.923 7.627 ( -1.820 0.000 3.278) 3.749 7.682 ( -3.767 0.000 4.102) 5.569 7.838 ( -0.541 0.000 -2.013) 2.085 7.880 ( 0.937 0.000 5.442) 5.522 8.021 ( 3.453 0.000 -3.978) 5.268 8.569 ( -0.822 0.000 -3.675) 3.765 8.603 ( 6.846 0.000 -0.718) 6.884 8.717 ( -6.806 0.000 1.391) 6.946 8.951 ( -4.325 0.000 0.460) 4.349 9.090 ( 1.247 0.000 1.471) 1.929 9.201 ( 4.365 0.000 1.997) 4.800 9.329 ( -12.601 0.000 -0.664) 12.619 9.469 ( -10.423 0.000 -2.146) 10.642 9.601 ( 5.333 0.000 0.426) 5.349 9.655 ( -2.171 0.000 1.957) 2.923 9.934 ( 8.335 0.000 3.475) 9.030 9.966 ( 2.731 0.000 1.976) 3.371 10.173 ( 9.347 0.000 -2.723) 9.736 10.271 ( 7.853 0.000 -3.002) 8.407 11.204 ( 4.333 0.000 3.577) 5.618 11.221 ( -1.390 0.000 -1.172) 1.818 11.291 ( 1.610 0.000 -3.463) 3.819 11.481 ( -0.070 0.000 0.541) 0.545 12.162 ( -5.469 0.000 -0.134) 5.470 12.478 ( -4.762 0.000 -2.708) 5.479 12.505 ( -1.826 0.000 0.810) 1.998 12.519 ( -1.242 0.000 -0.399) 1.304 12.741 ( -0.610 0.000 -2.179) 2.263 12.883 ( 1.150 0.000 -2.840) 3.064 13.514 ( 10.509 0.000 7.170) 12.722 13.588 ( 7.348 0.000 -12.292) 14.321 13.862 ( -3.382 0.000 -6.087) 6.964 13.968 ( 12.649 0.000 -1.746) 12.769 13.990 ( -2.759 0.000 -6.367) 6.939 14.211 ( 7.174 0.000 -6.999) 10.022 14.271 ( 4.592 0.000 6.030) 7.580 14.470 ( -2.474 0.000 -12.810) 13.046 14.656 ( 1.403 0.000 5.923) 6.087 15.070 ( -10.233 0.000 18.509) 21.149 16.066 ( -14.026 0.000 -9.192) 16.770 16.362 ( 1.184 0.000 2.481) 2.749 16.392 ( 2.143 0.000 -6.627) 6.965 16.559 ( -2.666 0.000 1.694) 3.158 16.685 ( -21.350 0.000 25.731) 33.435 16.998 ( 1.153 0.000 4.704) 4.843 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 16.817 0.000 2.398) 16.987 1.093 ( 11.229 0.000 7.231) 13.356 1.253 ( 0.825 0.000 -0.980) 1.281 1.323 ( -16.976 0.000 3.215) 17.278 1.691 ( 3.287 0.000 13.204) 13.607 1.956 ( -8.495 0.000 1.273) 8.590 2.012 ( 8.558 0.000 8.818) 12.288 2.013 ( -8.718 0.000 5.880) 10.516 2.143 ( -2.597 0.000 4.820) 5.475 2.282 ( 1.851 0.000 4.139) 4.534 2.366 ( -7.209 0.000 -11.470) 13.548 2.469 ( 1.004 0.000 -5.258) 5.353 2.589 ( -1.266 0.000 -4.418) 4.596 2.669 ( -14.709 0.000 -2.128) 14.862 2.841 ( 3.258 0.000 0.369) 3.279 2.861 ( -6.551 0.000 6.899) 9.514 2.913 ( -5.022 0.000 -3.798) 6.296 3.085 ( 1.347 0.000 6.699) 6.833 3.095 ( -3.407 0.000 -0.453) 3.437 3.267 ( -1.898 0.000 2.124) 2.849 3.282 ( -10.830 0.000 6.270) 12.514 3.558 ( -0.490 0.000 0.061) 0.494 3.696 ( -1.405 0.000 -4.455) 4.671 3.768 ( 6.874 0.000 4.122) 8.016 3.952 ( -7.502 0.000 4.679) 8.841 4.049 ( -6.582 0.000 2.001) 6.880 4.372 ( 4.699 0.000 -2.297) 5.230 4.428 ( -5.697 0.000 -0.286) 5.704 4.706 ( -0.406 0.000 -3.341) 3.366 4.899 ( 5.645 0.000 -2.331) 6.108 5.003 ( 2.009 0.000 2.368) 3.106 5.017 ( 7.794 0.000 -1.218) 7.889 5.077 ( 2.359 0.000 2.304) 3.297 5.096 ( 1.314 0.000 -3.288) 3.541 5.475 ( 2.575 0.000 -0.730) 2.676 5.516 ( -2.138 0.000 -7.579) 7.875 5.591 ( 8.262 0.000 -3.104) 8.826 5.901 ( 6.785 0.000 2.426) 7.206 6.152 ( -1.670 0.000 -2.404) 2.927 6.184 ( 14.704 0.000 -2.626) 14.937 6.226 ( -3.254 0.000 -1.595) 3.624 6.244 ( 11.976 0.000 6.452) 13.603 6.474 ( 5.964 0.000 -3.381) 6.856 6.518 ( 9.406 0.000 -3.360) 9.988 6.708 ( -3.684 0.000 -3.070) 4.795 6.734 ( 6.257 0.000 -0.948) 6.328 6.885 ( -1.065 0.000 0.130) 1.073 6.995 ( -3.109 0.000 0.194) 3.115 7.138 ( 3.598 0.000 -3.953) 5.345 7.230 ( -4.135 0.000 4.460) 6.082 7.296 ( -7.398 0.000 1.936) 7.647 7.634 ( -2.107 0.000 2.280) 3.104 7.672 ( -3.770 0.000 4.753) 6.067 7.799 ( -3.244 0.000 1.188) 3.455 7.942 ( -0.644 0.000 5.585) 5.622 8.011 ( 1.949 0.000 -4.780) 5.162 8.541 ( 2.042 0.000 -3.372) 3.942 8.596 ( -6.216 0.000 -3.399) 7.085 8.718 ( 5.201 0.000 1.395) 5.385 8.877 ( -5.738 0.000 -3.099) 6.521 9.050 ( -7.637 0.000 0.583) 7.659 9.195 ( -3.798 0.000 -0.822) 3.886 9.206 ( -1.231 0.000 -1.050) 1.618 9.387 ( -0.769 0.000 2.716) 2.822 9.661 ( 0.128 0.000 1.570) 1.575 9.688 ( 4.078 0.000 2.111) 4.592 10.044 ( 3.057 0.000 3.490) 4.639 10.077 ( 6.194 0.000 1.390) 6.348 10.260 ( 7.012 0.000 -3.840) 7.995 10.366 ( 8.319 0.000 -2.449) 8.672 11.191 ( -1.612 0.000 0.050) 1.613 11.269 ( -0.130 0.000 -2.105) 2.109 11.284 ( 0.964 0.000 1.957) 2.181 11.532 ( 4.352 0.000 3.775) 5.762 12.078 ( -4.740 0.000 -0.694) 4.791 12.345 ( -6.746 0.000 -2.202) 7.096 12.494 ( -1.413 0.000 -0.337) 1.452 12.515 ( 1.255 0.000 -0.630) 1.404 12.701 ( -1.353 0.000 -2.092) 2.491 12.847 ( -0.083 0.000 -4.812) 4.813 13.559 ( 2.388 0.000 -5.793) 6.265 13.722 ( -2.691 0.000 -7.895) 8.341 13.739 ( 7.769 0.000 5.536) 9.540 13.880 ( -2.151 0.000 -5.760) 6.149 14.118 ( -4.411 0.000 -15.082) 15.714 14.171 ( 11.690 0.000 4.115) 12.394 14.362 ( 6.998 0.000 -4.252) 8.189 14.445 ( 7.345 0.000 6.918) 10.090 14.758 ( -0.186 0.000 6.685) 6.688 15.116 ( -9.191 0.000 14.481) 17.152 15.702 ( -17.694 0.000 -10.452) 20.551 16.330 ( -1.397 0.000 -4.532) 4.743 16.410 ( 1.029 0.000 2.553) 2.752 16.537 ( -2.202 0.000 0.990) 2.415 16.669 ( -10.379 0.000 13.206) 16.796 17.082 ( 1.793 0.000 5.230) 5.529 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.938 0.000 4.026) 4.133 1.161 ( -7.592 0.000 2.821) 8.099 1.313 ( 5.923 0.000 6.657) 8.911 1.383 ( 19.122 0.000 -3.243) 19.395 1.737 ( -2.129 0.000 -1.208) 2.448 1.856 ( -6.971 0.000 2.833) 7.525 1.983 ( -8.188 0.000 -1.975) 8.423 2.151 ( 3.042 0.000 0.513) 3.085 2.184 ( -0.190 0.000 4.824) 4.827 2.210 ( -16.059 0.000 -8.499) 18.169 2.233 ( 0.814 0.000 7.716) 7.758 2.399 ( 2.162 0.000 7.508) 7.814 2.498 ( -3.374 0.000 -6.148) 7.013 2.610 ( 0.277 0.000 2.222) 2.240 2.802 ( -2.236 0.000 -4.601) 5.116 2.838 ( -6.959 0.000 8.615) 11.074 2.889 ( 3.326 0.000 -2.208) 3.992 2.999 ( -3.022 0.000 -6.042) 6.755 3.173 ( 0.556 0.000 5.519) 5.547 3.236 ( -3.873 0.000 4.324) 5.805 3.263 ( -0.873 0.000 0.991) 1.321 3.553 ( -0.241 0.000 0.397) 0.465 3.634 ( -1.150 0.000 -3.930) 4.095 3.912 ( 3.439 0.000 4.271) 5.483 3.953 ( 0.556 0.000 4.776) 4.808 3.986 ( -3.549 0.000 1.244) 3.761 4.327 ( -5.543 0.000 -1.496) 5.741 4.410 ( 2.539 0.000 -0.876) 2.685 4.643 ( -1.871 0.000 -3.306) 3.799 4.970 ( 4.636 0.000 0.292) 4.645 5.034 ( -0.088 0.000 2.008) 2.010 5.058 ( -1.170 0.000 -0.714) 1.370 5.118 ( 5.517 0.000 -1.324) 5.673 5.161 ( 3.499 0.000 1.557) 3.830 5.381 ( -3.778 0.000 -6.552) 7.563 5.490 ( 0.922 0.000 -0.889) 1.281 5.630 ( 2.103 0.000 -2.765) 3.474 6.029 ( 5.517 0.000 2.041) 5.882 6.123 ( 0.612 0.000 -1.681) 1.789 6.174 ( -1.873 0.000 -0.320) 1.901 6.314 ( 5.491 0.000 -0.096) 5.492 6.427 ( 3.282 0.000 1.488) 3.604 6.546 ( 6.787 0.000 -5.124) 8.504 6.648 ( 9.571 0.000 -1.000) 9.623 6.670 ( 2.115 0.000 1.408) 2.541 6.798 ( 3.501 0.000 -2.270) 4.172 6.887 ( 0.567 0.000 0.945) 1.102 6.978 ( 1.148 0.000 0.504) 1.253 7.121 ( -1.920 0.000 -1.683) 2.553 7.229 ( -3.829 0.000 1.660) 4.173 7.239 ( -2.007 0.000 5.673) 6.017 7.603 ( -3.183 0.000 -0.143) 3.187 7.690 ( -0.699 0.000 3.882) 3.945 7.783 ( -1.391 0.000 2.022) 2.454 7.978 ( 0.653 0.000 -3.631) 3.689 8.010 ( 0.339 0.000 6.936) 6.944 8.424 ( -8.072 0.000 -4.819) 9.401 8.521 ( -0.012 0.000 -5.106) 5.106 8.703 ( -6.866 0.000 -5.089) 8.546 8.803 ( 3.919 0.000 0.317) 3.932 8.975 ( -2.850 0.000 1.349) 3.154 9.171 ( -0.481 0.000 1.458) 1.535 9.190 ( -0.425 0.000 -0.702) 0.821 9.418 ( 0.258 0.000 1.863) 1.881 9.689 ( 0.871 0.000 1.427) 1.672 9.768 ( 2.595 0.000 2.223) 3.417 10.128 ( 1.974 0.000 3.585) 4.092 10.156 ( 3.093 0.000 0.150) 3.097 10.299 ( 3.902 0.000 -3.584) 5.298 10.454 ( 5.439 0.000 -1.358) 5.606 11.175 ( -0.978 0.000 0.652) 1.175 11.242 ( -0.557 0.000 -1.355) 1.465 11.291 ( -1.027 0.000 0.534) 1.158 11.680 ( 6.087 0.000 5.404) 8.139 12.007 ( -3.004 0.000 -0.870) 3.128 12.231 ( -5.013 0.000 -1.554) 5.248 12.472 ( -0.940 0.000 -0.146) 0.951 12.519 ( 1.352 0.000 -2.214) 2.595 12.654 ( -1.806 0.000 -1.335) 2.246 12.780 ( -0.801 0.000 -4.337) 4.410 13.524 ( -1.658 0.000 -0.830) 1.854 13.625 ( 0.764 0.000 -5.872) 5.921 13.767 ( -3.075 0.000 -7.923) 8.499 13.820 ( -1.472 0.000 -1.205) 1.902 13.962 ( 1.651 0.000 -1.604) 2.303 14.402 ( 9.093 0.000 5.905) 10.843 14.477 ( 10.713 0.000 -1.918) 10.884 14.647 ( 10.272 0.000 5.356) 11.584 14.779 ( -5.911 0.000 4.728) 7.570 15.132 ( -4.866 0.000 7.148) 8.647 15.300 ( -18.557 0.000 -9.803) 20.987 16.260 ( -1.862 0.000 -2.451) 3.078 16.447 ( 0.563 0.000 1.623) 1.718 16.519 ( -1.173 0.000 0.461) 1.261 16.668 ( -4.250 0.000 5.615) 7.042 17.161 ( 1.397 0.000 3.475) 3.746 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 0.000 0.000) 0.000 1.191 ( -0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 -0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 -0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.387 ( -0.000 0.000 -0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 -0.000) 0.000 2.901 ( -0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 -0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 -0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.260 ( -0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 -0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 -0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.740 ( -0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.906 ( -0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.067 ( -0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 -0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.443 ( -0.000 0.000 -0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.306 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.464 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 -0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.794 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.517 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 -0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 14.912 ( 0.000 0.000 0.000) 0.000 14.937 ( -0.000 0.000 -0.000) 0.000 15.137 ( 0.000 0.000 0.000) 0.000 16.229 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.669 ( 0.000 0.000 0.000) 0.000 17.194 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 15.638 0.000) 15.638 0.498 ( 0.000 23.457 0.000) 23.457 0.684 ( 0.000 31.328 0.000) 31.328 1.014 ( 0.000 -3.654 0.000) 3.654 1.865 ( 0.000 -2.445 0.000) 2.445 1.908 ( 0.000 -14.997 0.000) 14.997 1.956 ( 0.000 -3.740 0.000) 3.740 2.200 ( 0.000 -0.318 0.000) 0.318 2.204 ( 0.000 2.785 0.000) 2.785 2.420 ( 0.000 -1.816 0.000) 1.816 2.571 ( 0.000 0.482 0.000) 0.482 2.609 ( 0.000 -18.819 0.000) 18.819 2.660 ( 0.000 -8.953 0.000) 8.953 2.760 ( 0.000 9.963 0.000) 9.963 2.820 ( 0.000 -3.357 0.000) 3.357 2.926 ( 0.000 0.473 0.000) 0.473 3.114 ( 0.000 0.003 0.000) 0.003 3.134 ( 0.000 1.203 0.000) 1.203 3.179 ( 0.000 2.360 0.000) 2.360 3.356 ( 0.000 6.870 0.000) 6.870 3.414 ( 0.000 6.681 0.000) 6.681 3.580 ( 0.000 -2.918 0.000) 2.918 3.802 ( 0.000 0.017 0.000) 0.017 3.846 ( 0.000 -1.070 0.000) 1.070 3.900 ( 0.000 11.738 0.000) 11.738 4.419 ( 0.000 -1.630 0.000) 1.630 4.426 ( 0.000 -3.569 0.000) 3.569 4.457 ( 0.000 0.164 0.000) 0.164 4.595 ( 0.000 3.761 0.000) 3.761 4.713 ( 0.000 1.399 0.000) 1.399 4.714 ( 0.000 -5.070 0.000) 5.070 4.821 ( 0.000 -0.543 0.000) 0.543 4.913 ( 0.000 1.033 0.000) 1.033 4.944 ( 0.000 -6.942 0.000) 6.942 5.234 ( 0.000 1.403 0.000) 1.403 5.252 ( 0.000 0.046 0.000) 0.046 5.363 ( 0.000 4.850 0.000) 4.850 5.487 ( 0.000 -0.490 0.000) 0.490 5.698 ( 0.000 2.829 0.000) 2.829 5.892 ( 0.000 -1.103 0.000) 1.103 6.310 ( 0.000 0.775 0.000) 0.775 6.376 ( 0.000 -1.530 0.000) 1.530 6.476 ( 0.000 1.237 0.000) 1.237 6.543 ( 0.000 -2.667 0.000) 2.667 6.721 ( 0.000 -2.281 0.000) 2.281 6.725 ( 0.000 -1.300 0.000) 1.300 6.961 ( 0.000 1.713 0.000) 1.713 7.010 ( 0.000 0.447 0.000) 0.447 7.259 ( 0.000 -1.613 0.000) 1.613 7.306 ( 0.000 -0.262 0.000) 0.262 7.557 ( 0.000 2.904 0.000) 2.904 7.614 ( 0.000 0.152 0.000) 0.152 7.651 ( 0.000 -0.479 0.000) 0.479 7.892 ( 0.000 3.609 0.000) 3.609 7.903 ( 0.000 -5.533 0.000) 5.533 8.090 ( 0.000 0.860 0.000) 0.860 8.467 ( 0.000 3.162 0.000) 3.162 8.519 ( 0.000 3.130 0.000) 3.130 8.829 ( 0.000 -4.446 0.000) 4.446 8.866 ( 0.000 -3.244 0.000) 3.244 9.027 ( 0.000 3.162 0.000) 3.162 9.211 ( 0.000 -2.482 0.000) 2.482 9.417 ( 0.000 2.244 0.000) 2.244 9.430 ( 0.000 2.987 0.000) 2.987 9.761 ( 0.000 -1.338 0.000) 1.338 9.833 ( 0.000 -0.300 0.000) 0.300 9.866 ( 0.000 -1.180 0.000) 1.180 9.871 ( 0.000 0.763 0.000) 0.763 9.955 ( 0.000 2.254 0.000) 2.254 10.274 ( 0.000 -5.260 0.000) 5.260 11.069 ( 0.000 0.289 0.000) 0.289 11.162 ( 0.000 -1.438 0.000) 1.438 11.328 ( 0.000 3.666 0.000) 3.666 11.491 ( 0.000 -0.655 0.000) 0.655 12.283 ( 0.000 1.855 0.000) 1.855 12.492 ( 0.000 1.309 0.000) 1.309 12.541 ( 0.000 -0.394 0.000) 0.394 12.615 ( 0.000 -6.357 0.000) 6.357 12.781 ( 0.000 -0.271 0.000) 0.271 12.868 ( 0.000 -1.493 0.000) 1.493 13.108 ( 0.000 2.081 0.000) 2.081 13.204 ( 0.000 0.573 0.000) 0.573 13.745 ( 0.000 6.426 0.000) 6.426 13.979 ( 0.000 2.855 0.000) 2.855 14.097 ( 0.000 -3.437 0.000) 3.437 14.219 ( 0.000 3.096 0.000) 3.096 14.319 ( 0.000 -3.195 0.000) 3.195 14.390 ( 0.000 0.995 0.000) 0.995 14.718 ( 0.000 0.195 0.000) 0.195 14.938 ( 0.000 -6.227 0.000) 6.227 16.284 ( 0.000 1.453 0.000) 1.453 16.393 ( 0.000 -0.614 0.000) 0.614 16.528 ( 0.000 4.769 0.000) 4.769 16.602 ( 0.000 2.698 0.000) 2.698 16.890 ( 0.000 -3.168 0.000) 3.168 16.910 ( 0.000 -3.339 0.000) 3.339 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -2.317 15.259 9.313) 18.026 0.599 ( 12.998 10.417 13.180) 21.241 0.983 ( 17.344 22.270 11.617) 30.524 1.126 ( 2.874 -0.368 16.055) 16.314 1.715 ( -16.707 -12.808 0.280) 21.053 1.847 ( -2.380 -0.436 0.295) 2.437 2.019 ( -0.515 -5.376 2.521) 5.960 2.129 ( -4.800 -0.445 -2.646) 5.499 2.216 ( 1.682 0.108 -3.330) 3.732 2.395 ( 0.703 -1.746 -3.654) 4.111 2.517 ( -2.088 5.802 -0.653) 6.201 2.630 ( -4.481 -0.519 3.966) 6.007 2.676 ( 0.942 -6.348 4.025) 7.575 2.755 ( 0.595 -4.273 -2.838) 5.164 2.850 ( 7.803 -5.627 -7.094) 11.952 2.894 ( -1.536 0.778 4.261) 4.595 2.986 ( -2.590 5.656 -2.298) 6.631 3.139 ( -9.101 4.717 4.631) 11.248 3.193 ( -2.251 1.730 0.038) 2.839 3.262 ( -5.074 -2.832 1.381) 5.973 3.485 ( -14.516 2.349 14.939) 20.962 3.496 ( -10.121 -4.457 3.210) 11.515 3.791 ( 0.801 7.445 -0.414) 7.499 3.943 ( 1.295 2.125 -2.942) 3.853 4.057 ( 9.726 -2.394 -0.959) 10.063 4.240 ( -9.291 -2.138 -3.699) 10.226 4.435 ( -4.968 0.738 -2.549) 5.633 4.497 ( 0.872 2.276 -0.903) 2.599 4.570 ( 9.106 -8.422 0.523) 12.415 4.755 ( 4.777 -0.841 0.770) 4.911 4.838 ( 1.732 -1.139 -0.818) 2.229 4.850 ( 4.140 -0.279 -0.446) 4.173 4.961 ( 9.861 -1.465 -1.826) 10.135 4.999 ( 5.182 -7.122 -2.684) 9.207 5.286 ( 8.205 -0.224 -1.233) 8.300 5.341 ( 7.598 -3.134 0.071) 8.219 5.479 ( 11.442 -3.025 0.148) 11.836 5.552 ( 6.372 -0.621 2.859) 7.012 5.731 ( 4.593 2.620 0.033) 5.288 5.937 ( 4.089 -1.126 1.871) 4.635 6.301 ( 1.267 0.883 -3.481) 3.808 6.361 ( -2.282 -0.941 0.044) 2.468 6.448 ( -1.163 -0.177 -1.890) 2.226 6.525 ( 0.867 -2.022 -5.593) 6.010 6.650 ( -1.651 2.248 -3.305) 4.325 6.722 ( -0.333 -3.431 0.395) 3.470 6.991 ( 0.195 1.082 -2.689) 2.905 7.001 ( 2.261 1.116 1.800) 3.098 7.247 ( -1.352 -1.519 0.233) 2.047 7.337 ( -2.731 1.679 0.777) 3.299 7.510 ( -4.661 1.560 -1.225) 5.066 7.594 ( -0.829 0.965 1.951) 2.329 7.679 ( -0.995 -0.517 3.399) 3.579 7.798 ( -4.008 -1.494 -2.198) 4.810 7.876 ( 2.659 1.998 -5.897) 6.771 8.037 ( 1.244 1.087 -3.729) 4.079 8.510 ( 1.046 -0.799 3.424) 3.668 8.590 ( 0.092 -0.710 0.382) 0.811 8.787 ( -1.671 -1.620 0.094) 2.329 8.950 ( 2.404 -3.990 1.273) 4.829 9.072 ( 2.785 2.405 2.662) 4.542 9.120 ( -1.566 0.624 -1.624) 2.340 9.408 ( -1.871 1.248 2.586) 3.428 9.560 ( 3.251 0.124 2.434) 4.063 9.666 ( -9.442 -1.218 -0.819) 9.555 9.715 ( -4.385 0.652 0.506) 4.462 9.847 ( -1.983 0.739 -0.237) 2.130 9.913 ( 1.268 0.708 0.822) 1.669 10.055 ( 9.948 1.667 -1.171) 10.154 10.228 ( 2.984 -0.003 -3.441) 4.554 11.096 ( 2.138 -0.137 2.248) 3.105 11.209 ( 4.807 -3.438 -3.023) 6.639 11.325 ( 0.078 3.257 -0.685) 3.330 11.485 ( -0.796 -0.671 -0.276) 1.077 12.255 ( -3.690 1.776 0.094) 4.096 12.495 ( 0.107 0.905 0.043) 0.912 12.532 ( -0.768 -0.193 0.238) 0.827 12.556 ( -5.517 -4.869 -0.679) 7.390 12.759 ( -0.093 -0.910 -3.070) 3.204 12.844 ( 1.944 -3.027 -3.635) 5.114 13.303 ( 9.185 1.314 5.579) 10.827 13.447 ( 22.083 -7.282 -3.463) 23.509 13.787 ( 4.905 4.346 2.675) 7.078 13.980 ( 0.046 3.026 -1.879) 3.562 14.091 ( 2.491 -1.941 -5.075) 5.977 14.210 ( 0.207 2.045 0.253) 2.071 14.353 ( 0.832 5.185 -6.117) 8.062 14.389 ( 3.025 -4.953 7.068) 9.146 14.669 ( -0.369 -0.937 -8.922) 8.979 14.954 ( -7.338 -5.543 13.137) 16.035 16.302 ( -0.371 0.550 2.270) 2.365 16.364 ( -4.624 1.534 -2.059) 5.289 16.458 ( -0.743 3.308 -6.332) 7.183 16.603 ( -2.135 2.723 2.531) 4.287 16.762 ( -25.092 -0.014 17.316) 30.487 16.905 ( 0.326 -3.517 2.139) 4.129 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 12.270 1.659 7.922) 14.699 0.931 ( 12.209 7.916 8.800) 17.005 1.298 ( 2.451 9.339 4.982) 10.864 1.391 ( 1.478 -1.641 18.912) 19.041 1.522 ( -9.966 -5.964 9.735) 15.155 1.830 ( -1.308 3.042 4.363) 5.477 2.005 ( -4.083 -1.184 2.538) 4.951 2.054 ( -0.898 -2.369 0.394) 2.564 2.162 ( -3.220 -3.707 -4.168) 6.440 2.369 ( -5.422 3.497 1.503) 6.625 2.464 ( 0.923 6.371 -2.295) 6.835 2.587 ( -2.300 2.435 -4.429) 5.552 2.702 ( -1.902 -0.171 -3.162) 3.694 2.749 ( 4.628 -1.872 0.602) 5.028 2.850 ( -2.493 -2.750 -1.748) 4.103 2.927 ( -4.019 -5.799 0.926) 7.116 2.950 ( -9.904 -1.741 0.251) 10.059 2.994 ( 0.072 1.094 3.783) 3.938 3.160 ( -5.284 0.041 2.695) 5.932 3.247 ( -0.085 0.793 3.022) 3.125 3.392 ( -11.481 -0.402 6.130) 13.021 3.411 ( -5.867 -5.939 3.705) 9.133 3.778 ( -6.259 4.570 -1.468) 7.888 3.843 ( -3.193 2.528 -1.497) 4.339 4.078 ( -7.851 0.909 0.152) 7.905 4.124 ( -2.083 1.317 1.841) 3.076 4.362 ( 2.933 2.046 -4.489) 5.739 4.502 ( -1.724 1.700 0.919) 2.589 4.684 ( 3.395 -5.115 1.560) 6.335 4.846 ( 2.741 -0.861 -2.235) 3.640 4.850 ( 5.160 -3.265 0.932) 6.178 4.917 ( 7.814 0.340 -1.613) 7.986 5.027 ( 3.358 -3.137 -2.625) 5.292 5.061 ( 4.770 -2.189 -2.067) 5.641 5.412 ( 8.172 -0.020 -1.730) 8.353 5.457 ( 8.739 -1.953 -1.935) 9.161 5.574 ( 4.004 -0.419 -1.764) 4.396 5.775 ( 14.509 -2.984 3.277) 15.171 5.829 ( 9.997 -0.165 -1.629) 10.130 6.048 ( 5.811 -1.551 3.585) 7.002 6.265 ( 0.975 2.326 -5.236) 5.812 6.307 ( -3.539 0.148 -0.704) 3.611 6.423 ( 2.696 -1.359 -3.254) 4.439 6.478 ( 4.327 -0.482 -6.603) 7.909 6.644 ( 1.549 -0.403 0.399) 1.649 6.718 ( -0.279 -3.648 0.052) 3.659 6.940 ( -1.727 2.444 -3.188) 4.372 7.062 ( 2.265 0.869 1.044) 2.641 7.210 ( -2.350 2.130 -3.519) 4.737 7.248 ( -4.884 0.869 -0.248) 4.967 7.417 ( -6.476 2.809 0.593) 7.084 7.614 ( -2.447 -0.474 4.387) 5.046 7.689 ( -3.044 -0.063 3.279) 4.474 7.778 ( -3.251 -5.345 5.348) 8.230 7.864 ( 2.707 0.442 -2.927) 4.012 8.015 ( 1.581 -1.389 -4.014) 4.533 8.555 ( 0.258 -0.835 -0.498) 1.005 8.596 ( 4.349 -0.967 -0.359) 4.470 8.727 ( -4.444 1.927 -1.543) 5.084 8.937 ( -2.763 -1.651 0.371) 3.240 9.121 ( 2.477 1.996 1.584) 3.554 9.201 ( 3.534 -0.409 2.319) 4.246 9.324 ( -10.933 1.264 0.626) 11.023 9.462 ( -10.953 -0.719 -1.936) 11.146 9.595 ( 2.697 0.551 0.288) 2.767 9.742 ( 0.517 4.898 1.476) 5.141 9.871 ( 4.570 -4.141 2.067) 6.504 9.978 ( 4.507 -0.196 2.041) 4.952 10.181 ( 8.959 1.038 -2.580) 9.380 10.278 ( 7.437 -0.045 -3.371) 8.165 11.165 ( 1.942 -1.238 2.383) 3.314 11.236 ( 2.649 -0.990 -0.976) 2.992 11.316 ( 0.056 2.787 -0.641) 2.860 11.470 ( -0.320 -1.002 0.272) 1.087 12.183 ( -4.980 2.060 -0.427) 5.406 12.443 ( -6.934 -3.639 -1.682) 8.010 12.495 ( 0.391 -0.039 -0.774) 0.868 12.525 ( -0.744 0.447 0.650) 1.085 12.720 ( -0.377 -1.595 -2.960) 3.383 12.829 ( 1.398 -4.215 -3.895) 5.907 13.539 ( 10.903 2.124 6.302) 12.771 13.581 ( 8.212 0.341 -7.704) 11.265 13.896 ( -3.336 2.991 -7.242) 8.516 13.949 ( 7.045 0.762 2.570) 7.538 14.054 ( 3.390 1.893 -4.719) 6.111 14.255 ( 1.070 -0.551 -4.259) 4.426 14.311 ( 5.343 4.754 -1.976) 7.419 14.485 ( -0.338 2.938 -5.364) 6.126 14.577 ( 2.412 -5.644 4.481) 7.599 15.009 ( -8.529 -5.363 15.887) 18.812 16.126 ( -14.306 5.010 -7.492) 16.908 16.340 ( -0.766 -1.199 1.273) 1.909 16.416 ( 1.392 1.486 -3.469) 4.023 16.594 ( -2.160 3.318 1.590) 4.266 16.637 ( -18.258 -3.992 18.574) 26.349 16.951 ( 0.919 -4.303 4.150) 6.049 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 15.928 -2.869 5.022) 16.945 1.132 ( -0.439 -0.755 7.079) 7.133 1.267 ( -2.599 4.493 2.519) 5.770 1.447 ( -2.834 9.244 2.086) 9.891 1.690 ( 2.690 -0.124 13.539) 13.804 1.852 ( -3.921 -3.728 1.772) 5.693 1.994 ( -1.127 -2.460 3.621) 4.520 2.036 ( -8.758 -4.105 2.197) 9.919 2.151 ( 4.051 2.397 6.779) 8.253 2.289 ( -2.977 2.226 -1.070) 3.868 2.439 ( -4.464 6.152 -4.339) 8.753 2.497 ( -0.859 2.680 -5.573) 6.243 2.606 ( -4.973 -1.500 -3.339) 6.175 2.674 ( -8.127 2.027 -1.698) 8.546 2.805 ( -4.665 -3.851 3.263) 6.873 2.845 ( 4.745 0.122 -1.249) 4.908 2.934 ( -4.517 0.848 2.075) 5.043 3.050 ( -1.091 -2.291 2.955) 3.895 3.127 ( -1.831 1.811 3.071) 4.008 3.265 ( -2.551 -0.455 1.557) 3.024 3.273 ( -9.895 -0.616 5.077) 11.139 3.438 ( 3.582 -8.490 1.029) 9.272 3.637 ( -5.509 -0.869 -1.842) 5.873 3.819 ( -3.735 -2.999 3.260) 5.793 3.988 ( -4.189 5.519 1.137) 7.021 4.090 ( -4.931 2.580 2.852) 6.253 4.387 ( 3.364 1.750 -1.816) 4.204 4.469 ( -2.546 4.033 0.081) 4.771 4.724 ( 1.310 0.615 -1.315) 1.955 4.874 ( 4.576 -2.182 -2.569) 5.683 4.906 ( 0.079 -6.628 2.728) 7.168 5.038 ( 8.667 0.003 -1.426) 8.784 5.062 ( 0.536 -1.733 0.212) 1.827 5.079 ( 4.786 -0.942 -2.605) 5.530 5.462 ( 1.853 -0.910 -2.741) 3.432 5.502 ( 2.211 -0.782 -4.892) 5.425 5.633 ( 6.587 3.572 -2.962) 8.057 5.932 ( 6.702 2.816 2.255) 7.611 6.027 ( 8.894 -7.904 -1.811) 12.035 6.172 ( 2.583 -2.511 2.758) 4.538 6.241 ( 1.705 2.671 -0.291) 3.182 6.303 ( 7.625 1.984 -0.398) 7.889 6.470 ( 8.722 -0.156 -3.940) 9.571 6.520 ( 9.474 -0.207 -3.721) 10.181 6.666 ( 0.495 -1.809 -0.451) 1.929 6.734 ( 2.459 -2.165 0.610) 3.333 6.876 ( -1.887 2.145 -2.122) 3.559 7.065 ( -2.794 3.968 -0.024) 4.853 7.133 ( 0.717 -0.759 -4.741) 4.854 7.207 ( -3.584 -1.608 3.086) 4.995 7.334 ( -6.894 3.439 2.851) 8.215 7.629 ( -2.010 -0.665 4.717) 5.171 7.658 ( -4.822 -1.111 1.975) 5.328 7.781 ( -4.356 -2.797 5.398) 7.479 7.890 ( 2.062 -2.291 0.670) 3.155 7.992 ( 1.507 -1.802 -3.900) 4.553 8.534 ( -0.388 -0.060 -4.127) 4.146 8.616 ( -4.961 -0.421 -0.553) 5.009 8.687 ( 4.710 0.346 -1.307) 4.900 8.884 ( -3.581 -0.596 -2.356) 4.327 9.105 ( -8.787 3.703 0.207) 9.538 9.179 ( -3.732 -0.996 -1.396) 4.107 9.217 ( -0.925 1.173 0.753) 1.673 9.375 ( -1.037 -1.195 2.574) 3.021 9.671 ( 3.953 2.255 2.589) 5.236 9.766 ( 1.141 5.518 1.213) 5.764 9.980 ( 4.741 -4.750 3.117) 7.399 10.075 ( 4.701 -1.457 1.467) 5.135 10.266 ( 6.636 0.760 -3.434) 7.511 10.361 ( 7.622 -0.689 -2.774) 8.140 11.187 ( -0.787 0.037 0.820) 1.137 11.255 ( -0.078 -0.734 -0.738) 1.044 11.323 ( 0.640 2.778 0.675) 2.929 11.516 ( 4.198 -1.639 3.355) 5.618 12.101 ( -4.586 2.149 -0.847) 5.135 12.317 ( -6.436 -2.616 -1.896) 7.201 12.485 ( -0.299 -0.377 -1.058) 1.162 12.526 ( 0.467 0.652 -0.162) 0.818 12.676 ( -1.104 -1.934 -2.563) 3.395 12.789 ( -0.151 -4.452 -4.577) 6.387 13.585 ( 3.055 2.319 -5.249) 6.501 13.716 ( 0.379 -0.290 -5.020) 5.043 13.775 ( 3.410 2.440 0.040) 4.194 13.937 ( -1.373 4.516 -2.805) 5.490 14.065 ( -6.062 -3.923 -13.760) 15.540 14.208 ( 9.941 2.702 3.851) 10.998 14.417 ( 7.134 5.144 -1.598) 8.939 14.513 ( 7.196 5.165 4.582) 9.973 14.706 ( 2.406 -4.198 6.396) 8.020 15.043 ( -7.600 -6.288 10.864) 14.674 15.785 ( -17.958 7.094 -7.304) 20.643 16.288 ( -3.786 -3.947 -2.564) 6.040 16.427 ( 0.404 1.307 1.796) 2.257 16.580 ( -1.632 3.457 1.381) 4.065 16.615 ( -8.449 -3.792 11.108) 14.463 17.024 ( 1.428 -5.288 4.754) 7.252 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -5.092 -1.725 3.598) 6.469 1.228 ( 13.196 -2.392 5.017) 14.319 1.256 ( 0.205 5.852 3.228) 6.686 1.523 ( 5.531 8.651 0.659) 10.289 1.724 ( -4.891 -2.008 0.146) 5.289 1.791 ( -2.637 -0.367 -0.548) 2.718 1.986 ( -2.070 -7.749 -1.799) 8.220 2.060 ( -2.953 -1.286 5.264) 6.171 2.178 ( -0.685 -0.398 1.098) 1.354 2.206 ( -6.055 2.091 -4.727) 7.961 2.314 ( -6.396 2.400 2.070) 7.139 2.446 ( -0.331 4.404 6.753) 8.069 2.547 ( -2.434 1.448 -1.610) 3.258 2.634 ( 2.252 4.292 -2.062) 5.268 2.766 ( -4.181 -2.672 1.860) 5.299 2.867 ( -3.993 1.409 -0.951) 4.340 2.891 ( 2.295 0.506 -0.487) 2.400 3.027 ( -0.821 2.458 -1.855) 3.187 3.170 ( -0.275 -0.348 4.900) 4.920 3.208 ( -4.074 -2.271 3.345) 5.740 3.251 ( -1.375 -0.972 0.536) 1.767 3.490 ( 1.239 -5.987 0.755) 6.160 3.575 ( -0.760 -3.166 -1.955) 3.798 3.795 ( -3.518 -8.358 2.632) 9.442 3.983 ( 0.519 3.615 2.417) 4.379 4.057 ( -3.209 2.337 1.989) 4.440 4.387 ( -1.514 5.206 -0.153) 5.424 4.458 ( 1.518 4.622 -0.803) 4.931 4.693 ( -1.492 4.322 -2.284) 5.111 4.927 ( 4.142 -4.130 -0.442) 5.866 4.941 ( 0.238 -6.770 2.736) 7.306 5.037 ( -1.226 -2.708 -0.741) 3.064 5.127 ( 5.266 0.210 -1.995) 5.635 5.152 ( 3.522 -0.647 0.910) 3.695 5.401 ( -2.017 1.629 -4.733) 5.397 5.488 ( 0.852 -0.337 -1.633) 1.872 5.663 ( 2.299 3.370 -2.962) 5.042 6.041 ( 3.229 -1.150 0.264) 3.438 6.073 ( 2.921 -2.302 0.291) 3.731 6.171 ( -0.614 0.281 -0.716) 0.984 6.314 ( 4.232 -0.201 0.319) 4.249 6.416 ( 3.134 -1.213 0.742) 3.441 6.591 ( 9.674 3.220 -4.106) 10.992 6.646 ( 8.038 -0.316 -1.273) 8.144 6.680 ( 2.826 0.932 1.649) 3.402 6.791 ( 3.474 -1.185 -0.485) 3.703 6.848 ( 0.720 -1.048 -0.458) 1.351 7.027 ( -0.948 3.133 0.021) 3.273 7.093 ( -1.746 -2.318 -1.591) 3.310 7.207 ( -1.196 -1.078 2.545) 3.012 7.277 ( -5.066 2.598 4.203) 7.077 7.596 ( -4.453 -1.668 0.243) 4.761 7.672 ( 0.866 -0.839 3.816) 4.002 7.777 ( -3.114 -1.496 3.553) 4.955 7.939 ( 3.367 -3.539 0.293) 4.894 7.974 ( -0.463 -1.153 0.089) 1.246 8.411 ( -7.017 0.267 -4.060) 8.112 8.526 ( -3.293 -0.804 -5.950) 6.848 8.714 ( -1.360 0.932 -0.627) 1.764 8.808 ( 0.972 -0.229 -2.612) 2.797 8.999 ( -3.734 2.074 0.636) 4.319 9.148 ( -0.828 -1.400 0.939) 1.879 9.224 ( -0.115 2.516 0.495) 2.567 9.401 ( 0.114 -1.525 1.849) 2.400 9.752 ( 2.433 5.296 1.982) 6.156 9.807 ( 1.681 3.722 1.752) 4.444 10.076 ( 2.731 -4.075 3.013) 5.757 10.145 ( 2.743 -1.920 0.415) 3.374 10.306 ( 3.600 0.734 -2.996) 4.741 10.433 ( 4.735 -1.874 -1.611) 5.341 11.180 ( -0.929 0.530 0.661) 1.257 11.232 ( -1.102 -0.596 -0.832) 1.503 11.336 ( 0.136 3.774 0.495) 3.809 11.652 ( 5.610 -2.750 4.857) 7.914 12.030 ( -3.012 2.019 -0.977) 3.756 12.210 ( -4.585 -1.980 -1.579) 5.238 12.466 ( -0.311 -0.205 -1.021) 1.087 12.531 ( 1.217 0.833 -1.339) 1.991 12.628 ( -1.851 -2.152 -1.407) 3.168 12.727 ( -0.968 -4.162 -3.815) 5.728 13.547 ( -1.913 2.030 -2.397) 3.678 13.621 ( 0.426 -0.191 -5.537) 5.557 13.763 ( -3.094 -0.380 -7.038) 7.698 13.877 ( -1.810 -2.586 -4.183) 5.240 13.954 ( 2.357 7.255 2.380) 7.991 14.366 ( 5.169 0.653 2.847) 5.938 14.558 ( 10.529 0.946 0.735) 10.597 14.684 ( 5.829 3.726 4.079) 8.031 14.780 ( -0.366 0.107 4.723) 4.739 15.047 ( -1.367 -5.522 3.178) 6.516 15.429 ( -18.277 10.507 -4.845) 21.632 16.203 ( -3.243 -5.730 -1.660) 6.789 16.448 ( -0.153 0.477 1.296) 1.389 16.579 ( -0.204 4.770 0.730) 4.830 16.618 ( -3.728 -3.659 5.057) 7.270 17.093 ( 1.113 -6.176 3.177) 7.034 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 -0.027 0.000) 0.027 1.292 ( 0.000 8.041 0.000) 8.041 1.444 ( 0.000 -8.764 0.000) 8.764 1.499 ( -0.000 6.096 0.000) 6.096 1.689 ( 0.000 -6.198 0.000) 6.198 1.806 ( 0.000 4.972 0.000) 4.972 1.921 ( 0.000 -2.504 0.000) 2.504 1.967 ( 0.000 3.754 -0.000) 3.754 2.137 ( -0.000 1.471 0.000) 1.471 2.227 ( 0.000 -4.585 0.000) 4.585 2.316 ( 0.000 0.518 -0.000) 0.518 2.456 ( 0.000 -0.490 0.000) 0.490 2.539 ( 0.000 8.472 0.000) 8.472 2.646 ( 0.000 1.396 0.000) 1.396 2.722 ( 0.000 -1.417 0.000) 1.417 2.832 ( 0.000 -0.672 -0.000) 0.672 2.906 ( 0.000 0.730 0.000) 0.730 3.009 ( 0.000 6.704 0.000) 6.704 3.194 ( 0.000 -3.745 0.000) 3.745 3.215 ( 0.000 -0.226 -0.000) 0.226 3.236 ( 0.000 -1.909 0.000) 1.909 3.504 ( 0.000 -5.406 -0.000) 5.406 3.552 ( 0.000 -2.359 0.000) 2.359 3.785 ( 0.000 -9.625 0.000) 9.625 4.025 ( 0.000 0.619 0.000) 0.619 4.029 ( -0.000 1.472 -0.000) 1.472 4.371 ( 0.000 8.398 0.000) 8.398 4.468 ( 0.000 4.040 0.000) 4.040 4.662 ( 0.000 5.149 0.000) 5.149 4.955 ( -0.000 -6.431 0.000) 6.431 4.970 ( 0.000 -4.626 0.000) 4.626 5.023 ( 0.000 -2.904 0.000) 2.904 5.156 ( 0.000 -0.334 0.000) 0.334 5.185 ( 0.000 -0.983 0.000) 0.983 5.348 ( 0.000 3.690 0.000) 3.690 5.485 ( 0.000 -0.636 0.000) 0.636 5.660 ( 0.000 3.534 0.000) 3.534 6.053 ( 0.000 -4.639 -0.000) 4.639 6.115 ( 0.000 1.188 0.000) 1.188 6.162 ( 0.000 0.538 0.000) 0.538 6.347 ( -0.000 -0.457 0.000) 0.457 6.439 ( 0.000 -1.308 0.000) 1.308 6.623 ( 0.000 4.517 0.000) 4.517 6.720 ( 0.000 -1.527 -0.000) 1.527 6.728 ( -0.000 1.969 0.000) 1.969 6.795 ( 0.000 0.758 0.000) 0.758 6.875 ( -0.000 -2.585 0.000) 2.585 7.041 ( -0.000 -2.435 0.000) 2.435 7.049 ( 0.000 2.698 0.000) 2.698 7.207 ( 0.000 -0.482 0.000) 0.482 7.282 ( -0.000 0.874 0.000) 0.874 7.554 ( 0.000 -1.904 0.000) 1.904 7.714 ( 0.000 0.061 0.000) 0.061 7.769 ( 0.000 -2.299 0.000) 2.299 7.961 ( 0.000 -0.013 -0.000) 0.013 7.994 ( 0.000 -5.064 0.000) 5.064 8.321 ( 0.000 0.914 0.000) 0.914 8.426 ( 0.000 -1.456 -0.000) 1.456 8.694 ( 0.000 3.622 0.000) 3.622 8.814 ( 0.000 -1.829 0.000) 1.829 8.981 ( 0.000 1.386 0.000) 1.386 9.150 ( 0.000 -1.679 0.000) 1.679 9.225 ( 0.000 2.909 0.000) 2.909 9.413 ( 0.000 -1.578 0.000) 1.578 9.782 ( 0.000 6.509 0.000) 6.509 9.836 ( 0.000 2.962 0.000) 2.962 10.118 ( 0.000 -3.963 0.000) 3.963 10.168 ( 0.000 -1.855 0.000) 1.855 10.314 ( 0.000 0.807 0.000) 0.807 10.461 ( 0.000 -2.529 0.000) 2.529 11.177 ( 0.000 0.432 0.000) 0.432 11.216 ( 0.000 -0.591 -0.000) 0.591 11.340 ( 0.000 4.672 0.000) 4.672 11.739 ( 0.000 -3.660 0.000) 3.660 11.998 ( 0.000 1.889 0.000) 1.889 12.158 ( 0.000 -1.598 0.000) 1.598 12.457 ( 0.000 -0.176 0.000) 0.176 12.532 ( 0.000 1.532 0.000) 1.532 12.602 ( 0.000 -2.541 0.000) 2.541 12.693 ( 0.000 -3.990 0.000) 3.990 13.512 ( 0.000 0.910 0.000) 0.910 13.589 ( 0.000 -0.840 -0.000) 0.840 13.688 ( 0.000 0.992 0.000) 0.992 13.846 ( 0.000 -0.302 0.000) 0.302 13.990 ( 0.000 5.746 0.000) 5.746 14.429 ( 0.000 -1.480 0.000) 1.480 14.664 ( 0.000 -6.313 -0.000) 6.313 14.725 ( -0.000 8.668 0.000) 8.668 14.839 ( 0.000 -6.353 0.000) 6.353 15.122 ( 0.000 -1.795 0.000) 1.795 15.163 ( -0.000 17.869 0.000) 17.869 16.166 ( 0.000 -6.425 0.000) 6.425 16.454 ( 0.000 0.171 0.000) 0.171 16.584 ( 0.000 5.785 0.000) 5.785 16.618 ( 0.000 -4.141 0.000) 4.141 17.122 ( 0.000 -6.546 0.000) 6.546 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 12.736 0.000) 12.736 0.867 ( 0.000 -8.361 0.000) 8.361 0.974 ( 0.000 21.460 0.000) 21.460 1.253 ( 0.000 9.687 0.000) 9.687 1.616 ( 0.000 0.132 0.000) 0.132 1.850 ( 0.000 0.170 0.000) 0.170 1.873 ( 0.000 -3.733 0.000) 3.733 2.054 ( 0.000 -22.844 0.000) 22.844 2.256 ( 0.000 -2.086 0.000) 2.086 2.262 ( 0.000 0.896 0.000) 0.896 2.393 ( 0.000 1.623 0.000) 1.623 2.502 ( 0.000 -7.134 0.000) 7.134 2.626 ( 0.000 4.393 0.000) 4.393 2.731 ( 0.000 -5.068 0.000) 5.068 2.902 ( 0.000 3.327 0.000) 3.327 2.933 ( 0.000 -0.231 0.000) 0.231 3.148 ( 0.000 1.792 0.000) 1.792 3.157 ( 0.000 0.700 0.000) 0.700 3.264 ( 0.000 6.124 0.000) 6.124 3.390 ( 0.000 -4.033 0.000) 4.033 3.533 ( 0.000 3.692 0.000) 3.692 3.557 ( 0.000 0.600 0.000) 0.600 3.803 ( 0.000 0.300 0.000) 0.300 3.819 ( 0.000 -1.219 0.000) 1.219 4.143 ( 0.000 10.492 0.000) 10.492 4.321 ( 0.000 -6.507 0.000) 6.507 4.421 ( 0.000 1.593 0.000) 1.593 4.455 ( 0.000 -0.800 0.000) 0.800 4.605 ( 0.000 -1.535 0.000) 1.535 4.613 ( 0.000 -3.305 0.000) 3.305 4.772 ( 0.000 2.608 0.000) 2.608 4.804 ( 0.000 -0.999 0.000) 0.999 4.875 ( 0.000 0.684 0.000) 0.684 4.913 ( 0.000 -1.257 0.000) 1.257 5.237 ( 0.000 -0.116 0.000) 0.116 5.244 ( 0.000 -0.671 0.000) 0.671 5.448 ( 0.000 2.587 0.000) 2.587 5.477 ( 0.000 -0.581 0.000) 0.581 5.773 ( 0.000 3.983 0.000) 3.983 5.849 ( 0.000 -2.999 0.000) 2.999 6.334 ( 0.000 1.301 0.000) 1.301 6.354 ( 0.000 -0.721 0.000) 0.721 6.482 ( 0.000 -0.327 0.000) 0.327 6.490 ( 0.000 -1.640 0.000) 1.640 6.691 ( 0.000 -0.505 0.000) 0.505 6.698 ( 0.000 -1.029 0.000) 1.029 7.000 ( 0.000 1.740 0.000) 1.740 7.019 ( 0.000 0.043 0.000) 0.043 7.233 ( 0.000 -0.171 0.000) 0.171 7.265 ( 0.000 -2.746 0.000) 2.746 7.620 ( 0.000 0.413 0.000) 0.413 7.627 ( 0.000 0.468 0.000) 0.468 7.672 ( 0.000 4.797 0.000) 4.797 7.787 ( 0.000 -5.500 0.000) 5.500 7.981 ( 0.000 4.536 0.000) 4.536 8.065 ( 0.000 -2.990 0.000) 2.990 8.554 ( 0.000 4.612 0.000) 4.612 8.595 ( 0.000 2.619 0.000) 2.619 8.737 ( 0.000 -2.932 0.000) 2.932 8.776 ( 0.000 -4.694 0.000) 4.694 9.095 ( 0.000 3.102 0.000) 3.102 9.155 ( 0.000 -2.730 0.000) 2.730 9.468 ( 0.000 2.091 0.000) 2.091 9.481 ( 0.000 1.175 0.000) 1.175 9.748 ( 0.000 0.600 0.000) 0.600 9.791 ( 0.000 -2.928 0.000) 2.928 9.867 ( 0.000 0.764 0.000) 0.764 9.879 ( 0.000 -0.172 0.000) 0.172 10.027 ( 0.000 4.672 0.000) 4.672 10.145 ( 0.000 -6.336 0.000) 6.336 11.088 ( 0.000 1.438 0.000) 1.438 11.125 ( 0.000 -1.951 0.000) 1.951 11.408 ( 0.000 3.486 0.000) 3.486 11.465 ( 0.000 -1.927 0.000) 1.927 12.344 ( 0.000 4.065 0.000) 4.065 12.456 ( 0.000 -6.379 0.000) 6.379 12.525 ( 0.000 1.550 0.000) 1.550 12.549 ( 0.000 -0.766 0.000) 0.766 12.786 ( 0.000 0.977 0.000) 0.977 12.823 ( 0.000 -2.344 0.000) 2.344 13.159 ( 0.000 2.476 0.000) 2.476 13.200 ( 0.000 -1.154 0.000) 1.154 13.896 ( 0.000 6.850 0.000) 6.850 14.013 ( 0.000 -4.531 0.000) 4.531 14.068 ( 0.000 5.750 0.000) 5.750 14.207 ( 0.000 -6.738 0.000) 6.738 14.311 ( 0.000 5.108 0.000) 5.108 14.393 ( 0.000 -1.816 0.000) 1.816 14.731 ( 0.000 1.391 0.000) 1.391 14.800 ( 0.000 -5.570 0.000) 5.570 16.323 ( 0.000 2.171 0.000) 2.171 16.367 ( 0.000 -1.795 0.000) 1.795 16.652 ( 0.000 6.098 0.000) 6.098 16.676 ( 0.000 3.773 0.000) 3.773 16.806 ( 0.000 -4.179 0.000) 4.179 16.816 ( 0.000 -5.084 0.000) 5.084 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -1.439 12.319 7.485) 14.486 0.830 ( -2.765 10.179 12.050) 16.014 1.085 ( 3.196 0.085 15.312) 15.643 1.307 ( -5.729 -10.362 8.982) 14.861 1.538 ( -0.225 14.504 -2.893) 14.791 1.815 ( -0.968 -5.881 -1.322) 6.105 1.937 ( 2.118 1.504 4.679) 5.351 2.111 ( 2.455 -9.549 -2.451) 10.159 2.192 ( -1.374 3.699 -2.884) 4.887 2.343 ( 4.159 -11.945 4.262) 13.347 2.423 ( 4.506 3.105 0.497) 5.495 2.526 ( 2.532 -5.470 0.180) 6.030 2.652 ( 1.307 3.806 2.173) 4.573 2.739 ( 1.313 -3.290 -1.020) 3.687 2.861 ( -3.267 4.266 -1.013) 5.468 2.909 ( -2.255 -0.056 0.372) 2.287 3.074 ( -5.272 3.006 -3.654) 7.084 3.142 ( -5.355 -3.799 -1.878) 6.829 3.249 ( -6.335 3.231 0.280) 7.117 3.281 ( -4.666 1.932 -1.068) 5.162 3.437 ( -13.429 0.277 8.343) 15.812 3.488 ( -14.191 -2.196 8.906) 16.898 3.887 ( 6.662 2.561 -0.803) 7.183 3.931 ( 7.494 -2.032 -2.279) 8.092 4.117 ( 0.031 5.246 -2.746) 5.921 4.197 ( -7.496 -2.423 -3.833) 8.761 4.428 ( -2.164 -0.518 -0.152) 2.231 4.446 ( 0.920 -2.808 2.017) 3.578 4.575 ( 2.847 4.343 -3.292) 6.148 4.680 ( 5.115 -5.297 -0.589) 7.387 4.853 ( 3.589 0.735 0.878) 3.768 4.864 ( 1.009 2.959 0.023) 3.126 4.881 ( 6.721 -2.212 1.556) 7.245 4.938 ( 4.737 -2.829 -1.549) 5.731 5.285 ( 7.942 0.085 -1.395) 8.064 5.296 ( 7.311 -1.152 -1.124) 7.486 5.504 ( 4.978 2.124 1.797) 5.703 5.536 ( 5.232 -0.993 2.425) 5.851 5.808 ( 4.230 4.208 0.226) 5.971 5.891 ( 4.246 -3.300 1.043) 5.478 6.323 ( 1.090 1.159 -3.341) 3.700 6.345 ( -0.734 -0.786 -0.948) 1.434 6.438 ( -1.577 0.113 -2.687) 3.118 6.470 ( -0.398 -2.589 -3.351) 4.253 6.665 ( -1.056 0.846 -1.068) 1.724 6.692 ( -0.684 -1.186 -0.934) 1.657 7.018 ( 2.792 1.257 -2.306) 3.833 7.026 ( 2.237 0.802 -0.544) 2.438 7.228 ( -1.514 0.501 0.983) 1.874 7.281 ( -1.230 -3.990 1.645) 4.488 7.599 ( -2.912 3.582 1.866) 4.979 7.629 ( -1.977 1.228 2.679) 3.549 7.670 ( -2.115 0.924 0.933) 2.490 7.737 ( -4.681 -3.651 -0.589) 5.966 7.939 ( -0.429 3.770 -5.036) 6.305 8.015 ( -0.942 -2.886 -4.646) 5.550 8.530 ( -1.217 2.557 1.758) 3.334 8.585 ( -1.302 -1.624 -1.147) 2.376 8.780 ( 2.941 1.979 2.006) 4.073 8.858 ( 3.456 -4.558 1.731) 5.977 9.112 ( 1.524 1.345 1.163) 2.342 9.127 ( -0.098 -0.079 -0.529) 0.544 9.481 ( -0.890 4.326 1.652) 4.716 9.548 ( 3.465 -1.627 2.720) 4.696 9.648 ( -9.949 0.263 -1.619) 10.083 9.690 ( -5.767 -2.908 -1.282) 6.585 9.864 ( 0.430 2.098 0.429) 2.184 9.909 ( 1.068 -1.518 0.690) 1.981 10.107 ( 8.409 3.122 -1.340) 9.069 10.180 ( 5.921 -3.563 -2.212) 7.256 11.109 ( 1.694 1.389 1.500) 2.655 11.149 ( 2.649 -2.347 0.185) 3.544 11.400 ( -0.766 3.406 -0.322) 3.506 11.457 ( -0.903 -2.023 -0.259) 2.230 12.317 ( -3.237 4.110 -0.178) 5.235 12.425 ( -3.744 -5.961 -0.047) 7.040 12.525 ( -0.470 1.013 -0.057) 1.118 12.535 ( -1.191 0.029 0.302) 1.229 12.750 ( 0.097 0.396 -4.703) 4.721 12.782 ( 0.977 -2.559 -5.195) 5.873 13.336 ( 11.580 1.719 6.307) 13.298 13.372 ( 14.939 -1.859 5.415) 15.998 13.903 ( 1.816 5.580 -0.298) 5.875 13.997 ( 0.124 -2.999 -2.510) 3.912 14.110 ( 4.595 5.363 -1.048) 7.140 14.243 ( 2.188 -5.167 0.509) 5.634 14.288 ( 0.195 2.690 -0.611) 2.766 14.374 ( -0.697 -3.225 -2.521) 4.153 14.708 ( -1.934 4.286 -0.779) 4.767 14.823 ( -4.455 -6.295 9.341) 12.113 16.330 ( -0.411 1.773 1.068) 2.110 16.364 ( -1.066 -1.168 -0.114) 1.586 16.567 ( -7.999 6.221 -2.358) 10.404 16.667 ( -7.109 0.315 4.560) 8.452 16.721 ( -7.793 -0.364 -0.252) 7.806 16.808 ( -0.259 -5.291 1.233) 5.439 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -2.729 10.760 9.572) 14.657 0.995 ( -3.843 -5.702 10.200) 12.301 1.290 ( 1.844 0.983 9.860) 10.079 1.390 ( 3.111 -5.542 17.420) 18.543 1.591 ( 2.554 12.376 4.117) 13.290 1.818 ( -0.966 -7.993 4.258) 9.108 1.953 ( -3.969 2.982 -1.064) 5.077 2.051 ( -3.752 -5.334 -4.425) 7.881 2.198 ( 3.272 11.235 2.202) 11.907 2.404 ( -1.751 -2.725 2.805) 4.285 2.555 ( 4.365 -3.026 1.685) 5.572 2.586 ( 7.581 -5.767 -0.399) 9.534 2.646 ( -7.311 5.270 1.517) 9.139 2.715 ( -1.848 -0.450 -5.391) 5.716 2.809 ( -0.354 1.036 -0.885) 1.407 2.884 ( -5.996 -4.271 -1.083) 7.442 2.910 ( -5.645 2.503 -1.553) 6.367 2.983 ( -2.708 -2.926 -1.198) 4.163 3.196 ( -2.977 3.220 1.992) 4.817 3.255 ( -1.402 -1.580 0.917) 2.303 3.337 ( -10.276 0.341 6.792) 12.322 3.375 ( -13.226 -1.946 7.491) 15.324 3.834 ( -10.523 1.997 -3.339) 11.219 3.867 ( -7.782 -0.700 -1.279) 7.918 4.114 ( -0.994 2.010 0.607) 2.323 4.140 ( 0.041 -0.186 1.260) 1.274 4.414 ( 1.680 3.038 -0.339) 3.488 4.524 ( 4.872 -7.782 2.292) 9.463 4.589 ( 1.876 6.355 -1.376) 6.768 4.730 ( 2.941 -6.454 -1.354) 7.221 4.886 ( 3.303 3.034 -1.294) 4.668 4.926 ( 6.619 0.028 -1.311) 6.748 4.980 ( 5.253 -1.252 -0.461) 5.420 4.998 ( 3.169 -3.172 -0.572) 4.521 5.410 ( 8.969 0.069 -3.144) 9.504 5.421 ( 10.537 -0.949 -3.437) 11.124 5.615 ( 6.859 3.285 1.506) 7.753 5.691 ( 10.956 -3.867 2.483) 11.881 5.897 ( 6.163 4.492 0.801) 7.669 5.990 ( 5.917 -3.937 2.006) 7.384 6.297 ( 2.000 0.884 -4.224) 4.756 6.309 ( -1.319 -0.139 -1.545) 2.036 6.408 ( 3.588 0.460 -3.925) 5.338 6.442 ( 4.328 -2.281 -5.259) 7.183 6.645 ( -0.701 0.751 0.236) 1.054 6.671 ( -0.888 -1.514 0.278) 1.778 7.009 ( 0.626 3.620 -3.471) 5.053 7.063 ( 3.231 -1.082 -1.932) 3.917 7.206 ( -2.838 0.031 1.337) 3.137 7.235 ( -4.643 -2.093 -0.956) 5.182 7.539 ( -7.531 6.760 0.709) 10.145 7.620 ( -4.190 0.691 3.595) 5.564 7.667 ( -2.523 -1.802 4.082) 5.126 7.671 ( -4.633 -4.463 4.065) 7.609 7.896 ( 1.746 2.521 -3.750) 4.844 7.961 ( 1.176 -3.320 -4.452) 5.677 8.550 ( 1.167 0.460 0.340) 1.300 8.570 ( 1.362 -1.277 -1.264) 2.254 8.794 ( -1.431 4.032 -0.807) 4.354 8.879 ( -1.241 -3.678 0.169) 3.886 9.156 ( 2.784 1.390 1.528) 3.467 9.182 ( 2.391 -1.155 1.774) 3.193 9.386 ( -11.494 3.422 0.453) 12.001 9.439 ( -12.092 -1.654 -1.191) 12.263 9.631 ( 5.289 3.197 1.377) 6.332 9.729 ( 6.360 -5.335 2.522) 8.676 9.874 ( 0.260 4.013 0.627) 4.070 9.949 ( 2.690 -2.640 1.220) 3.961 10.215 ( 8.326 2.000 -2.668) 8.969 10.257 ( 7.713 -1.780 -3.117) 8.507 11.166 ( 2.156 1.125 2.121) 3.226 11.201 ( 2.803 -1.969 0.961) 3.558 11.382 ( -0.616 3.088 -0.296) 3.163 11.438 ( -0.669 -2.115 -0.155) 2.224 12.248 ( -4.828 4.025 -0.618) 6.316 12.346 ( -5.699 -5.058 -0.697) 7.651 12.508 ( -0.197 1.100 -1.256) 1.681 12.528 ( -0.534 -0.452 0.251) 0.743 12.700 ( 0.210 0.366 -4.201) 4.222 12.743 ( 0.946 -3.458 -4.441) 5.708 13.586 ( 11.038 1.798 2.967) 11.570 13.598 ( 9.710 0.577 -1.811) 9.894 13.960 ( -0.329 2.146 -4.417) 4.922 13.972 ( 4.481 0.839 2.081) 5.011 14.098 ( 0.675 3.291 -3.827) 5.092 14.192 ( -2.984 -4.729 -9.415) 10.951 14.361 ( 7.399 1.639 3.043) 8.167 14.428 ( 6.185 -5.005 6.148) 10.055 14.671 ( -2.591 9.790 0.846) 10.162 14.864 ( -5.216 -8.250 9.485) 13.610 16.238 ( -12.234 4.863 -3.962) 13.749 16.310 ( -5.785 -2.035 -0.653) 6.167 16.457 ( -2.907 2.817 1.219) 4.228 16.540 ( -11.710 -4.785 8.133) 15.039 16.695 ( -0.955 6.030 1.929) 6.403 16.832 ( 0.188 -6.609 2.942) 7.236 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 7.136 2.375 7.951) 10.944 1.030 ( -2.668 -6.623 8.767) 11.306 1.440 ( 1.617 9.544 6.176) 11.482 1.579 ( 2.165 -0.953 4.296) 4.904 1.714 ( 1.644 5.130 11.805) 12.976 1.842 ( -4.695 0.470 2.449) 5.316 1.885 ( -0.581 -6.678 2.497) 7.153 1.913 ( -7.210 -4.335 -3.225) 9.010 2.256 ( -1.501 6.635 1.135) 6.897 2.350 ( -4.587 0.859 -1.297) 4.843 2.492 ( -8.468 -1.151 -3.911) 9.398 2.543 ( -4.259 -3.461 -0.750) 5.538 2.596 ( -2.440 6.693 -0.942) 7.186 2.710 ( 0.518 -3.473 1.176) 3.703 2.763 ( 1.237 4.137 -2.538) 5.009 2.839 ( 5.418 -1.254 -2.152) 5.963 2.939 ( -1.520 0.071 4.797) 5.033 2.980 ( -0.864 -3.889 2.822) 4.882 3.172 ( -3.006 2.475 2.666) 4.719 3.228 ( -4.362 -2.769 0.831) 5.233 3.274 ( -6.044 0.829 3.384) 6.976 3.312 ( -2.188 -3.108 4.170) 5.643 3.648 ( -8.461 1.940 -1.730) 8.852 3.721 ( -8.306 -4.808 0.004) 9.597 4.090 ( -4.672 3.379 2.390) 6.241 4.124 ( -4.604 0.169 2.647) 5.314 4.463 ( 3.803 5.781 0.523) 6.940 4.578 ( 0.263 2.789 0.059) 2.802 4.652 ( 5.783 -4.024 2.007) 7.325 4.755 ( 1.562 -6.756 0.253) 6.938 4.891 ( 0.431 3.529 -2.961) 4.627 4.982 ( 1.190 -4.358 -2.248) 5.046 5.051 ( 6.291 0.337 -0.428) 6.314 5.063 ( 6.389 -0.705 -0.813) 6.479 5.459 ( 3.398 0.759 -4.046) 5.338 5.483 ( 3.904 -1.155 -4.446) 6.029 5.731 ( 6.705 5.615 -1.703) 8.910 5.865 ( 8.025 -7.138 -1.049) 10.791 6.011 ( 6.220 4.451 2.126) 7.938 6.105 ( 4.941 -4.087 2.301) 6.812 6.290 ( 0.903 1.978 -0.640) 2.267 6.318 ( 4.646 -0.482 -0.992) 4.776 6.476 ( 11.492 0.747 -3.993) 12.189 6.500 ( 11.168 -1.418 -4.117) 11.987 6.653 ( 0.632 0.523 1.325) 1.559 6.682 ( 0.915 -2.110 1.574) 2.787 6.960 ( -1.685 4.927 -3.114) 6.067 7.061 ( -0.075 -4.143 -3.167) 5.215 7.150 ( -4.017 2.217 -0.440) 4.609 7.182 ( -2.126 -0.982 1.276) 2.666 7.434 ( -7.885 5.856 2.437) 10.119 7.562 ( -7.061 -5.608 3.143) 9.549 7.660 ( -2.547 1.242 4.207) 5.072 7.703 ( -2.623 -3.042 5.914) 7.149 7.895 ( 2.323 1.817 -2.074) 3.606 7.944 ( 2.040 -2.589 -3.144) 4.555 8.544 ( -0.619 0.972 -2.952) 3.169 8.575 ( -0.836 -2.053 -0.946) 2.410 8.753 ( -0.683 4.333 -2.177) 4.897 8.839 ( -2.329 -3.483 -2.249) 4.755 9.149 ( -7.193 0.774 -0.917) 7.292 9.162 ( -4.472 -0.629 -0.875) 4.600 9.270 ( -1.851 3.451 2.265) 4.524 9.336 ( -1.677 -2.536 2.362) 3.849 9.750 ( 5.836 4.921 3.365) 8.342 9.863 ( 5.912 -5.121 3.489) 8.564 9.895 ( 1.316 5.520 0.825) 5.734 10.010 ( 3.278 -4.586 1.041) 5.732 10.294 ( 6.270 1.799 -3.105) 7.224 10.334 ( 6.656 -1.796 -3.025) 7.528 11.203 ( -0.145 1.393 1.151) 1.813 11.234 ( -0.143 -1.352 0.395) 1.416 11.391 ( 1.522 3.534 0.942) 3.962 11.464 ( 3.145 -3.193 2.181) 4.984 12.163 ( -4.730 3.611 -1.107) 6.053 12.245 ( -5.544 -3.962 -1.368) 6.950 12.492 ( 0.212 1.153 -1.608) 1.990 12.523 ( 0.339 -1.254 -0.720) 1.485 12.653 ( -0.831 0.519 -3.194) 3.341 12.700 ( -0.551 -3.577 -3.639) 5.132 13.642 ( 3.423 2.849 -4.934) 6.647 13.695 ( 2.881 -1.907 -4.711) 5.842 13.844 ( -3.184 4.191 -6.567) 8.416 13.942 ( -4.832 -4.643 -10.037) 12.068 14.084 ( 1.988 6.487 2.246) 7.147 14.211 ( 7.400 -3.818 5.554) 10.009 14.530 ( 5.676 4.590 2.002) 7.569 14.600 ( 6.431 -1.592 4.295) 7.895 14.681 ( 4.215 7.349 3.163) 9.043 14.876 ( -3.721 -9.277 5.244) 11.287 15.966 ( -16.144 9.572 -2.816) 18.978 16.160 ( -10.527 -8.195 -0.792) 13.364 16.461 ( -1.002 2.006 2.670) 3.487 16.517 ( -3.935 -3.614 5.857) 7.928 16.710 ( -0.534 7.417 2.484) 7.840 16.878 ( 0.553 -8.071 3.617) 8.862 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.735 -0.400 4.855) 5.171 1.142 ( 8.853 -3.341 5.121) 10.760 1.461 ( -2.643 10.645 3.623) 11.552 1.612 ( -3.703 -1.407 2.993) 4.964 1.718 ( -8.238 0.883 -1.796) 8.478 1.774 ( -1.098 -5.597 -3.228) 6.554 1.891 ( 3.224 3.641 4.284) 6.481 1.986 ( 3.243 -4.422 6.970) 8.868 2.193 ( -1.866 2.319 -3.964) 4.957 2.247 ( -2.369 -1.034 -5.392) 5.979 2.368 ( -6.433 4.455 1.327) 7.937 2.470 ( -3.737 -3.874 -4.680) 7.133 2.588 ( -3.295 4.850 10.179) 11.747 2.690 ( -3.917 -4.259 4.896) 7.580 2.773 ( 2.450 6.188 -5.916) 8.905 2.855 ( 0.846 -1.870 -5.718) 6.075 2.947 ( -0.851 3.984 2.718) 4.898 3.037 ( 2.604 -3.219 3.357) 5.331 3.176 ( -2.268 1.240 2.364) 3.502 3.180 ( -2.641 0.097 3.192) 4.144 3.240 ( -1.297 1.296 -0.612) 1.933 3.344 ( 1.448 -6.985 0.936) 7.194 3.547 ( -3.635 1.038 0.012) 3.780 3.630 ( -4.669 -6.586 1.220) 8.165 4.048 ( -3.052 2.300 1.465) 4.093 4.076 ( -3.920 -0.334 1.092) 4.083 4.524 ( 2.221 7.413 1.462) 7.875 4.581 ( 0.397 5.257 -0.248) 5.278 4.754 ( 3.751 -3.456 1.560) 5.334 4.784 ( 0.259 -5.787 2.044) 6.143 4.855 ( 0.360 1.683 -2.909) 3.379 4.953 ( -1.244 -5.034 -1.264) 5.337 5.129 ( 4.302 0.256 -1.081) 4.444 5.139 ( 3.702 -0.591 -0.135) 3.752 5.438 ( 0.347 1.703 -3.594) 3.992 5.470 ( 0.912 -1.322 -2.758) 3.192 5.770 ( 2.354 6.459 -2.290) 7.246 5.917 ( 2.114 -7.206 -1.390) 7.637 6.114 ( 3.969 3.040 1.249) 5.153 6.167 ( 1.567 -1.415 0.031) 2.111 6.321 ( 2.777 1.547 0.118) 3.180 6.373 ( 2.603 -2.733 -0.144) 3.777 6.633 ( 10.210 0.529 -2.262) 10.471 6.639 ( 7.974 -0.235 -2.241) 8.286 6.708 ( 4.600 1.632 1.983) 5.268 6.747 ( 4.976 -2.136 2.306) 5.885 6.896 ( -1.832 4.545 -2.697) 5.594 6.999 ( -2.453 -4.654 -2.160) 5.686 7.120 ( -0.279 3.604 0.408) 3.638 7.179 ( -0.492 -1.876 1.613) 2.522 7.355 ( -6.794 5.241 3.638) 9.320 7.494 ( -5.946 -7.145 2.444) 9.611 7.682 ( -0.059 1.444 3.081) 3.403 7.723 ( -2.082 -2.519 3.576) 4.845 7.918 ( 2.814 0.912 -0.732) 3.048 7.946 ( 1.516 -1.501 -1.020) 2.365 8.441 ( -6.432 2.141 -3.689) 7.718 8.489 ( -5.461 -2.273 -4.653) 7.526 8.742 ( 0.867 1.752 -0.686) 2.071 8.783 ( 0.179 -1.915 -2.772) 3.374 9.050 ( -3.442 2.705 -0.002) 4.377 9.107 ( -1.934 -2.544 0.467) 3.230 9.290 ( -0.050 3.447 1.487) 3.755 9.356 ( -0.026 -2.713 1.803) 3.257 9.867 ( 3.795 5.194 2.998) 7.097 9.927 ( 1.515 7.138 0.770) 7.337 9.976 ( 3.207 -5.125 2.998) 6.748 10.067 ( 2.653 -5.455 0.602) 6.096 10.334 ( 3.203 1.913 -2.464) 4.471 10.383 ( 3.564 -2.630 -2.114) 4.908 11.198 ( -1.037 1.063 0.335) 1.522 11.218 ( -1.243 -0.787 -0.263) 1.495 11.439 ( 2.006 5.790 1.570) 6.325 11.563 ( 4.086 -5.554 3.366) 7.673 12.085 ( -3.218 3.127 -1.303) 4.672 12.154 ( -3.776 -3.202 -1.526) 5.181 12.478 ( 0.450 1.501 -1.535) 2.193 12.524 ( 1.303 -2.180 -1.186) 2.803 12.601 ( -1.918 0.755 -1.716) 2.682 12.646 ( -1.368 -3.115 -2.467) 4.202 13.594 ( -2.092 1.959 -5.231) 5.964 13.618 ( -0.686 -0.357 -5.927) 5.978 13.758 ( -2.134 0.262 -4.538) 5.021 13.793 ( -0.811 -3.290 -2.666) 4.311 14.172 ( 2.683 11.115 3.435) 11.939 14.374 ( 4.498 -5.792 5.899) 9.411 14.538 ( -0.211 4.580 -2.820) 5.383 14.694 ( -0.197 -6.738 0.031) 6.741 14.829 ( 5.967 6.345 4.210) 9.674 14.945 ( 6.852 -4.569 3.559) 8.972 15.707 ( -13.492 14.987 -1.482) 20.220 16.008 ( -7.458 -12.644 -0.455) 14.686 16.473 ( -0.706 1.862 1.525) 2.508 16.527 ( -1.574 -3.459 2.773) 4.705 16.731 ( -0.141 8.542 1.706) 8.712 16.924 ( 0.487 -9.300 2.459) 9.632 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 3.591 0.000) 3.591 1.265 ( 0.000 -7.619 0.000) 7.619 1.487 ( 0.000 9.396 0.000) 9.396 1.600 ( 0.000 3.389 0.000) 3.389 1.600 ( -0.000 -2.648 -0.000) 2.648 1.735 ( 0.000 -8.890 0.000) 8.890 1.961 ( 0.000 5.780 0.000) 5.780 2.066 ( 0.000 -0.421 0.000) 0.421 2.143 ( 0.000 2.155 -0.000) 2.155 2.202 ( 0.000 1.659 0.000) 1.659 2.327 ( 0.000 0.563 -0.000) 0.563 2.385 ( 0.000 -5.185 0.000) 5.185 2.669 ( 0.000 2.362 0.000) 2.362 2.675 ( 0.000 0.979 -0.000) 0.979 2.743 ( 0.000 3.293 -0.000) 3.293 2.804 ( 0.000 -2.117 0.000) 2.117 2.960 ( 0.000 4.926 0.000) 4.926 3.087 ( 0.000 -6.164 0.000) 6.164 3.162 ( 0.000 5.737 0.000) 5.737 3.199 ( 0.000 -1.222 0.000) 1.222 3.218 ( 0.000 2.376 0.000) 2.376 3.361 ( 0.000 -7.759 0.000) 7.759 3.522 ( 0.000 0.549 0.000) 0.549 3.601 ( 0.000 -6.943 0.000) 6.943 4.038 ( 0.000 0.570 0.000) 0.570 4.044 ( 0.000 0.118 -0.000) 0.118 4.553 ( 0.000 7.889 0.000) 7.889 4.582 ( 0.000 5.600 0.000) 5.600 4.780 ( 0.000 3.326 -0.000) 3.326 4.807 ( 0.000 -6.445 0.000) 6.445 4.848 ( 0.000 -3.713 0.000) 3.713 4.933 ( 0.000 -5.417 0.000) 5.417 5.156 ( 0.000 0.300 0.000) 0.300 5.166 ( 0.000 -0.723 0.000) 0.723 5.414 ( 0.000 2.586 0.000) 2.586 5.460 ( 0.000 -1.754 0.000) 1.754 5.772 ( 0.000 6.804 0.000) 6.804 5.923 ( 0.000 -7.120 -0.000) 7.120 6.153 ( 0.000 1.940 0.000) 1.940 6.176 ( 0.000 0.095 0.000) 0.095 6.347 ( -0.000 0.958 0.000) 0.958 6.393 ( 0.000 -2.823 0.000) 2.823 6.680 ( 0.000 0.987 -0.000) 0.987 6.693 ( 0.000 -0.830 0.000) 0.830 6.776 ( -0.000 1.685 0.000) 1.685 6.817 ( 0.000 -2.497 0.000) 2.497 6.859 ( 0.000 5.353 -0.000) 5.353 6.967 ( 0.000 -4.491 0.000) 4.491 7.128 ( -0.000 4.135 0.000) 4.135 7.188 ( 0.000 -1.566 0.000) 1.566 7.325 ( -0.000 3.888 0.000) 3.888 7.453 ( 0.000 -7.175 0.000) 7.175 7.715 ( -0.000 -0.063 0.000) 0.063 7.720 ( 0.000 -1.106 0.000) 1.106 7.947 ( -0.000 -0.069 0.000) 0.069 7.956 ( 0.000 -0.490 -0.000) 0.490 8.351 ( 0.000 1.764 0.000) 1.764 8.390 ( 0.000 -1.835 -0.000) 1.835 8.745 ( 0.000 1.502 0.000) 1.502 8.775 ( 0.000 -1.665 0.000) 1.665 9.028 ( 0.000 3.062 0.000) 3.062 9.098 ( 0.000 -3.201 0.000) 3.201 9.298 ( 0.000 3.662 0.000) 3.662 9.367 ( 0.000 -2.809 0.000) 2.809 9.915 ( 0.000 4.758 0.000) 4.758 9.948 ( 0.000 7.996 0.000) 7.996 10.020 ( 0.000 -5.090 0.000) 5.090 10.094 ( 0.000 -5.359 0.000) 5.359 10.342 ( 0.000 1.944 0.000) 1.944 10.397 ( 0.000 -3.176 0.000) 3.176 11.191 ( 0.000 0.788 0.000) 0.788 11.205 ( 0.000 -0.559 -0.000) 0.559 11.467 ( 0.000 7.180 0.000) 7.180 11.623 ( 0.000 -7.081 0.000) 7.081 12.049 ( 0.000 2.854 0.000) 2.854 12.111 ( 0.000 -2.792 0.000) 2.792 12.472 ( 0.000 1.827 0.000) 1.827 12.532 ( 0.000 -3.635 0.000) 3.635 12.569 ( 0.000 1.947 0.000) 1.947 12.617 ( 0.000 -2.858 0.000) 2.858 13.538 ( 0.000 1.420 0.000) 1.420 13.567 ( 0.000 -1.250 0.000) 1.250 13.719 ( 0.000 2.030 0.000) 2.030 13.778 ( 0.000 -3.654 0.000) 3.654 14.216 ( 0.000 12.746 0.000) 12.746 14.474 ( 0.000 -11.270 0.000) 11.270 14.493 ( -0.000 6.887 -0.000) 6.887 14.672 ( 0.000 -9.028 -0.000) 9.028 14.908 ( 0.000 8.190 0.000) 8.190 15.050 ( 0.000 -5.122 0.000) 5.122 15.573 ( -0.000 19.706 0.000) 19.706 15.943 ( -0.000 -14.740 0.000) 14.740 16.476 ( 0.000 1.872 0.000) 1.872 16.532 ( 0.000 -3.511 0.000) 3.511 16.741 ( 0.000 8.959 0.000) 8.959 16.943 ( 0.000 -9.789 0.000) 9.789 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 1.823 0.000 18.268) 18.358 0.425 ( -6.607 0.000 22.295) 23.253 0.810 ( -2.127 0.000 39.790) 39.846 1.185 ( 5.520 0.000 19.244) 20.020 1.919 ( -4.151 0.000 0.598) 4.194 1.971 ( -3.170 0.000 -2.092) 3.798 2.116 ( 2.428 0.000 -4.263) 4.906 2.133 ( -2.001 0.000 1.757) 2.663 2.186 ( 2.128 0.000 -1.473) 2.588 2.380 ( 7.306 0.000 -6.268) 9.626 2.434 ( -1.948 0.000 -3.810) 4.279 2.512 ( 8.068 0.000 -5.583) 9.811 2.650 ( 7.717 0.000 -10.747) 13.231 2.779 ( 3.282 0.000 3.113) 4.523 2.923 ( -9.170 0.000 3.196) 9.711 2.984 ( -1.384 0.000 5.298) 5.475 3.020 ( -0.858 0.000 2.652) 2.787 3.110 ( 11.508 0.000 0.566) 11.522 3.197 ( -2.601 0.000 2.299) 3.472 3.254 ( -5.080 0.000 0.009) 5.080 3.587 ( 28.801 0.000 1.414) 28.836 3.732 ( 5.073 0.000 4.821) 6.998 3.745 ( 3.379 0.000 2.580) 4.252 3.824 ( -6.142 0.000 0.053) 6.142 4.144 ( -1.791 0.000 -1.644) 2.432 4.397 ( -16.709 0.000 -3.504) 17.073 4.431 ( -5.104 0.000 -4.056) 6.519 4.482 ( -14.978 0.000 -0.362) 14.982 4.576 ( 0.280 0.000 2.118) 2.137 4.690 ( 2.038 0.000 2.445) 3.183 4.740 ( 10.735 0.000 -3.981) 11.450 4.741 ( 0.909 0.000 3.065) 3.197 4.906 ( -1.468 0.000 1.693) 2.240 5.105 ( -0.694 0.000 -0.605) 0.921 5.164 ( 9.805 0.000 -0.867) 9.843 5.213 ( 1.744 0.000 -2.313) 2.897 5.319 ( 2.258 0.000 0.808) 2.398 5.499 ( 2.414 0.000 -0.017) 2.414 5.679 ( -0.886 0.000 1.519) 1.759 5.932 ( 0.388 0.000 2.929) 2.955 6.230 ( 0.512 0.000 -6.131) 6.152 6.382 ( 0.383 0.000 -3.213) 3.236 6.436 ( -0.177 0.000 -1.112) 1.126 6.512 ( -2.488 0.000 -1.487) 2.899 6.610 ( -1.297 0.000 1.233) 1.790 6.814 ( 2.360 0.000 -2.075) 3.143 6.940 ( 3.590 0.000 -0.517) 3.627 6.980 ( -1.550 0.000 -2.555) 2.988 7.238 ( -2.812 0.000 -3.492) 4.483 7.239 ( 1.842 0.000 -2.881) 3.419 7.564 ( -3.051 0.000 -2.903) 4.212 7.604 ( -0.226 0.000 4.801) 4.806 7.723 ( 0.340 0.000 4.112) 4.126 7.771 ( 2.864 0.000 6.307) 6.927 7.952 ( -5.636 0.000 -3.426) 6.595 8.094 ( -15.949 0.000 0.850) 15.972 8.467 ( 1.142 0.000 -1.574) 1.945 8.713 ( -5.149 0.000 -5.337) 7.416 8.855 ( 3.364 0.000 0.556) 3.409 8.940 ( 7.388 0.000 3.332) 8.105 9.069 ( -5.444 0.000 7.649) 9.389 9.223 ( -8.298 0.000 -0.977) 8.355 9.355 ( 5.737 0.000 2.506) 6.260 9.717 ( 2.970 0.000 0.522) 3.015 9.775 ( -2.578 0.000 0.123) 2.581 9.805 ( -5.013 0.000 -2.393) 5.555 9.847 ( -1.954 0.000 -1.132) 2.258 9.869 ( 1.328 0.000 -1.712) 2.166 9.917 ( -1.738 0.000 -2.228) 2.826 10.131 ( -0.967 0.000 -1.902) 2.134 11.081 ( 1.933 0.000 1.811) 2.648 11.206 ( -11.692 0.000 -0.502) 11.703 11.297 ( -1.294 0.000 1.332) 1.857 11.487 ( 0.374 0.000 -1.027) 1.093 12.341 ( -4.758 0.000 -0.128) 4.760 12.461 ( 1.816 0.000 -1.549) 2.387 12.550 ( -1.345 0.000 0.631) 1.485 12.629 ( 1.589 0.000 -3.860) 4.174 12.776 ( -2.044 0.000 -1.146) 2.344 12.787 ( 4.506 0.000 -6.318) 7.760 13.218 ( 6.703 0.000 8.978) 11.204 13.235 ( 3.518 0.000 5.035) 6.142 13.688 ( 2.237 0.000 1.706) 2.813 13.933 ( -0.714 0.000 -1.815) 1.951 14.045 ( 1.297 0.000 -7.972) 8.077 14.158 ( -4.038 0.000 -3.749) 5.510 14.191 ( 0.993 0.000 0.735) 1.235 14.463 ( 1.379 0.000 3.833) 4.073 14.685 ( -1.386 0.000 1.113) 1.778 15.284 ( -7.252 0.000 20.143) 21.409 16.189 ( 15.352 0.000 -0.898) 15.378 16.290 ( 2.760 0.000 -11.572) 11.896 16.323 ( 0.642 0.000 1.728) 1.843 16.618 ( 0.085 0.000 2.050) 2.052 16.934 ( 2.782 0.000 1.000) 2.956 17.427 ( -3.621 0.000 -3.696) 5.174 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -2.323 0.000 18.073) 18.221 0.675 ( 10.654 0.000 15.930) 19.164 1.273 ( 2.858 0.000 25.996) 26.153 1.508 ( 4.598 0.000 20.157) 20.675 1.805 ( -1.270 0.000 -3.528) 3.750 1.820 ( -11.619 0.000 -1.298) 11.691 2.116 ( -3.395 0.000 2.133) 4.009 2.158 ( -1.495 0.000 1.588) 2.181 2.214 ( 2.599 0.000 2.902) 3.895 2.355 ( 0.965 0.000 -5.804) 5.884 2.384 ( 1.951 0.000 -4.137) 4.573 2.528 ( -3.988 0.000 -12.609) 13.225 2.601 ( 9.684 0.000 -3.389) 10.260 2.735 ( -9.446 0.000 1.171) 9.518 2.958 ( 3.921 0.000 5.023) 6.372 3.004 ( -4.725 0.000 6.034) 7.664 3.086 ( 0.207 0.000 3.246) 3.252 3.131 ( -8.393 0.000 -2.773) 8.839 3.194 ( 2.799 0.000 -0.369) 2.823 3.238 ( 1.812 0.000 1.125) 2.132 3.609 ( -8.790 0.000 -1.708) 8.955 3.620 ( -10.542 0.000 8.106) 13.298 3.773 ( -11.651 0.000 4.918) 12.646 3.891 ( -1.792 0.000 -0.646) 1.905 4.110 ( 2.292 0.000 1.687) 2.846 4.231 ( -1.386 0.000 -1.927) 2.374 4.289 ( -3.578 0.000 -5.505) 6.565 4.485 ( 6.996 0.000 -3.599) 7.867 4.571 ( 5.981 0.000 -6.347) 8.721 4.727 ( -0.354 0.000 0.171) 0.393 4.834 ( 4.781 0.000 4.554) 6.603 4.839 ( 1.680 0.000 -0.229) 1.695 5.006 ( 8.534 0.000 0.853) 8.576 5.085 ( -0.341 0.000 -0.674) 0.755 5.261 ( 7.608 0.000 -2.475) 8.000 5.350 ( 19.725 0.000 -11.746) 22.958 5.392 ( 4.600 0.000 0.859) 4.679 5.585 ( 9.096 0.000 -0.683) 9.122 5.720 ( 3.215 0.000 2.866) 4.307 6.017 ( 4.616 0.000 4.837) 6.686 6.165 ( 1.452 0.000 -6.935) 7.085 6.332 ( 0.764 0.000 -5.516) 5.568 6.413 ( -0.130 0.000 -2.081) 2.085 6.435 ( -5.103 0.000 -1.342) 5.276 6.627 ( 0.864 0.000 1.951) 2.133 6.788 ( -0.691 0.000 -3.273) 3.345 6.924 ( -1.005 0.000 -3.216) 3.370 6.991 ( 5.670 0.000 -3.837) 6.846 7.141 ( -5.378 0.000 -1.037) 5.477 7.261 ( 2.948 0.000 -1.280) 3.214 7.481 ( -4.324 0.000 -0.687) 4.378 7.665 ( -0.298 0.000 5.080) 5.088 7.763 ( -1.822 0.000 4.483) 4.840 7.818 ( -3.473 0.000 -1.188) 3.671 7.893 ( 2.800 0.000 5.731) 6.379 8.033 ( -2.568 0.000 1.030) 2.767 8.497 ( 5.000 0.000 -1.716) 5.287 8.568 ( -3.624 0.000 -5.398) 6.501 8.858 ( -5.717 0.000 2.862) 6.393 9.029 ( -4.028 0.000 -0.317) 4.041 9.107 ( -1.139 0.000 7.235) 7.324 9.161 ( 3.048 0.000 5.392) 6.193 9.503 ( 7.573 0.000 1.958) 7.822 9.557 ( -16.569 0.000 -2.951) 16.829 9.623 ( -10.326 0.000 -2.170) 10.552 9.725 ( -5.235 0.000 0.326) 5.245 9.837 ( 6.522 0.000 2.254) 6.901 9.923 ( 3.557 0.000 -0.101) 3.559 10.000 ( 9.961 0.000 -2.564) 10.286 10.138 ( 5.608 0.000 -3.794) 6.771 11.163 ( 4.443 0.000 3.208) 5.480 11.179 ( 2.590 0.000 -1.769) 3.136 11.291 ( -1.690 0.000 1.363) 2.171 11.477 ( 0.221 0.000 -1.013) 1.037 12.260 ( -6.258 0.000 0.745) 6.302 12.465 ( 1.105 0.000 -2.200) 2.462 12.534 ( -1.136 0.000 -0.290) 1.172 12.564 ( -3.692 0.000 -2.850) 4.664 12.738 ( -0.865 0.000 -1.466) 1.703 12.798 ( 4.781 0.000 -6.185) 7.817 13.409 ( 7.066 0.000 0.978) 7.133 13.418 ( 9.228 0.000 7.582) 11.943 13.809 ( 8.500 0.000 2.859) 8.968 13.864 ( -2.511 0.000 -5.101) 5.686 13.968 ( -0.319 0.000 -7.403) 7.410 14.085 ( 1.952 0.000 -5.207) 5.561 14.256 ( 3.640 0.000 4.969) 6.160 14.431 ( -3.485 0.000 -7.841) 8.581 14.729 ( -1.724 0.000 11.430) 11.559 15.385 ( -10.285 0.000 19.698) 22.221 16.109 ( -4.317 0.000 -14.569) 15.195 16.299 ( 4.473 0.000 -3.858) 5.907 16.364 ( 1.148 0.000 2.798) 3.025 16.615 ( -2.303 0.000 1.009) 2.514 17.003 ( 2.630 0.000 3.577) 4.439 17.163 ( -20.739 0.000 3.659) 21.059 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 7.888 0.000 9.197) 12.116 1.011 ( 9.884 0.000 13.648) 16.851 1.341 ( -7.994 0.000 0.461) 8.007 1.584 ( -12.453 0.000 -1.695) 12.567 1.774 ( -1.888 0.000 13.566) 13.697 1.926 ( 8.773 0.000 5.768) 10.499 2.089 ( -7.473 0.000 0.644) 7.501 2.104 ( -2.104 0.000 3.520) 4.101 2.261 ( -6.078 0.000 -6.577) 8.956 2.300 ( 3.133 0.000 2.915) 4.279 2.382 ( 4.121 0.000 2.694) 4.923 2.394 ( -2.956 0.000 -3.009) 4.218 2.600 ( -6.297 0.000 -2.163) 6.658 2.707 ( 8.924 0.000 -4.777) 10.122 2.880 ( -13.853 0.000 -3.264) 14.232 2.983 ( -6.034 0.000 -0.094) 6.035 3.024 ( -5.418 0.000 6.075) 8.140 3.124 ( 0.261 0.000 6.908) 6.912 3.189 ( -7.186 0.000 -0.332) 7.193 3.261 ( 4.578 0.000 -1.713) 4.888 3.504 ( 1.231 0.000 -6.238) 6.358 3.518 ( -12.639 0.000 4.113) 13.292 3.754 ( -9.367 0.000 -1.229) 9.448 3.758 ( -0.427 0.000 9.453) 9.463 4.146 ( -10.567 0.000 5.523) 11.923 4.156 ( -4.932 0.000 1.079) 5.048 4.270 ( 7.124 0.000 -0.437) 7.137 4.511 ( -4.866 0.000 0.529) 4.895 4.651 ( 18.745 0.000 -10.909) 21.688 4.697 ( -1.684 0.000 -1.895) 2.535 4.896 ( 6.004 0.000 0.712) 6.046 4.959 ( 5.130 0.000 2.429) 5.676 5.080 ( 1.131 0.000 -0.147) 1.141 5.084 ( 0.169 0.000 1.216) 1.228 5.380 ( 10.737 0.000 -2.010) 10.924 5.424 ( 6.408 0.000 -10.138) 11.993 5.456 ( 3.820 0.000 -1.203) 4.005 5.787 ( 16.476 0.000 -3.159) 16.776 5.852 ( 11.766 0.000 3.139) 12.177 6.121 ( 2.149 0.000 -5.308) 5.727 6.173 ( 7.043 0.000 5.732) 9.080 6.286 ( -2.943 0.000 -1.542) 3.322 6.361 ( 2.967 0.000 -4.410) 5.315 6.395 ( 1.652 0.000 -2.443) 2.949 6.674 ( 2.141 0.000 1.810) 2.803 6.730 ( -2.160 0.000 -2.607) 3.386 6.885 ( 0.138 0.000 -2.054) 2.059 7.004 ( 3.371 0.000 -6.507) 7.328 7.079 ( -2.116 0.000 1.465) 2.574 7.286 ( 0.405 0.000 1.179) 1.247 7.421 ( -5.730 0.000 3.108) 6.519 7.687 ( -2.344 0.000 2.174) 3.198 7.768 ( -3.766 0.000 3.727) 5.298 7.794 ( 1.232 0.000 -1.859) 2.230 7.982 ( 1.056 0.000 5.069) 5.178 7.993 ( -2.561 0.000 -0.970) 2.739 8.495 ( 0.563 0.000 -3.241) 3.289 8.568 ( 5.768 0.000 -1.703) 6.014 8.776 ( -8.329 0.000 2.688) 8.752 8.941 ( -5.319 0.000 -2.126) 5.728 9.159 ( -2.887 0.000 4.471) 5.322 9.250 ( -1.618 0.000 3.149) 3.540 9.295 ( -12.015 0.000 -1.783) 12.147 9.458 ( -6.860 0.000 1.142) 6.955 9.632 ( 5.684 0.000 2.634) 6.265 9.684 ( -1.524 0.000 1.187) 1.932 9.965 ( 8.105 0.000 -0.362) 8.113 9.997 ( 5.436 0.000 0.556) 5.464 10.113 ( 8.422 0.000 -2.369) 8.749 10.209 ( 8.753 0.000 -3.061) 9.273 11.190 ( 1.468 0.000 -1.636) 2.198 11.271 ( 3.620 0.000 3.115) 4.776 11.276 ( -2.136 0.000 1.035) 2.374 11.490 ( 3.089 0.000 0.435) 3.120 12.167 ( -6.638 0.000 0.628) 6.668 12.409 ( -3.869 0.000 -3.668) 5.331 12.506 ( -0.951 0.000 -0.389) 1.027 12.507 ( -1.158 0.000 -1.197) 1.666 12.708 ( -1.086 0.000 -1.342) 1.726 12.783 ( 2.353 0.000 -5.576) 6.052 13.491 ( 3.006 0.000 1.288) 3.270 13.651 ( 9.240 0.000 6.132) 11.090 13.716 ( -4.058 0.000 -7.833) 8.822 13.872 ( -1.996 0.000 -5.243) 5.610 14.026 ( 11.577 0.000 4.994) 12.608 14.046 ( 0.806 0.000 -9.895) 9.928 14.272 ( -1.233 0.000 -5.924) 6.051 14.405 ( 5.618 0.000 7.098) 9.053 14.849 ( -2.197 0.000 12.487) 12.678 15.415 ( -12.857 0.000 15.550) 20.177 15.817 ( -10.352 0.000 -15.111) 18.317 16.290 ( 1.098 0.000 -4.484) 4.617 16.416 ( 0.954 0.000 2.974) 3.124 16.582 ( -2.632 0.000 0.188) 2.639 16.935 ( -14.182 0.000 2.914) 14.479 17.092 ( 2.191 0.000 4.749) 5.230 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 14.865 0.000 0.867) 14.891 1.231 ( -1.628 0.000 -2.795) 3.235 1.286 ( 5.819 0.000 11.871) 13.220 1.369 ( -12.976 0.000 0.565) 12.988 1.770 ( -4.011 0.000 -2.470) 4.711 1.972 ( -6.874 0.000 -0.919) 6.936 2.060 ( -7.257 0.000 -3.953) 8.264 2.069 ( 4.865 0.000 1.113) 4.991 2.220 ( 1.255 0.000 4.523) 4.693 2.324 ( -3.849 0.000 4.212) 5.706 2.333 ( -2.975 0.000 -6.997) 7.603 2.432 ( -3.178 0.000 4.518) 5.524 2.496 ( -3.071 0.000 -5.381) 6.196 2.661 ( -1.039 0.000 0.422) 1.121 2.813 ( 1.864 0.000 1.350) 2.302 2.861 ( -8.000 0.000 0.789) 8.039 3.021 ( -4.934 0.000 6.483) 8.147 3.044 ( -8.928 0.000 -2.485) 9.267 3.208 ( 0.540 0.000 5.024) 5.052 3.271 ( 0.273 0.000 -1.912) 1.932 3.381 ( -9.833 0.000 3.236) 10.352 3.484 ( 6.569 0.000 -8.634) 10.849 3.637 ( -4.973 0.000 0.261) 4.979 3.891 ( 2.821 0.000 7.468) 7.984 4.068 ( -5.911 0.000 -0.292) 5.918 4.071 ( -7.820 0.000 6.191) 9.974 4.360 ( 3.569 0.000 0.623) 3.623 4.408 ( -6.650 0.000 -1.592) 6.838 4.645 ( -1.541 0.000 -2.242) 2.721 4.822 ( 13.611 0.000 -3.611) 14.082 5.012 ( 7.028 0.000 0.591) 7.053 5.018 ( 2.277 0.000 -1.582) 2.773 5.068 ( -0.919 0.000 -1.011) 1.366 5.138 ( 2.497 0.000 3.748) 4.503 5.359 ( -0.195 0.000 -7.329) 7.332 5.470 ( 1.129 0.000 0.047) 1.130 5.530 ( 8.918 0.000 -1.848) 9.107 5.949 ( 7.717 0.000 1.846) 7.934 6.099 ( 0.993 0.000 -2.921) 3.085 6.121 ( 17.938 0.000 -3.022) 18.191 6.216 ( -3.629 0.000 0.502) 3.663 6.339 ( 8.939 0.000 0.580) 8.958 6.422 ( 2.987 0.000 1.079) 3.176 6.444 ( 12.522 0.000 -3.741) 13.069 6.678 ( -1.591 0.000 -0.394) 1.639 6.727 ( 2.902 0.000 0.173) 2.907 6.879 ( 1.045 0.000 -0.744) 1.282 6.977 ( 0.553 0.000 -1.521) 1.619 7.091 ( 2.190 0.000 -0.636) 2.281 7.308 ( -0.917 0.000 3.526) 3.643 7.359 ( -8.193 0.000 4.123) 9.171 7.650 ( -3.450 0.000 -1.031) 3.601 7.740 ( -3.062 0.000 0.770) 3.157 7.792 ( 1.269 0.000 -1.457) 1.932 7.936 ( -1.500 0.000 -3.068) 3.415 8.073 ( 0.805 0.000 8.676) 8.714 8.483 ( 0.891 0.000 -2.609) 2.757 8.539 ( -8.020 0.000 -2.301) 8.344 8.744 ( 2.911 0.000 1.222) 3.157 8.784 ( -8.608 0.000 -5.306) 10.112 9.084 ( -8.054 0.000 2.800) 8.527 9.211 ( -3.047 0.000 1.421) 3.362 9.211 ( -2.885 0.000 1.393) 3.204 9.447 ( -1.305 0.000 3.447) 3.686 9.695 ( 0.147 0.000 1.802) 1.808 9.738 ( 3.802 0.000 2.584) 4.597 10.068 ( 7.047 0.000 -2.093) 7.351 10.084 ( 5.607 0.000 -1.340) 5.765 10.210 ( 5.663 0.000 0.763) 5.714 10.322 ( 9.137 0.000 -1.958) 9.344 11.192 ( 0.585 0.000 -0.463) 0.746 11.248 ( -2.443 0.000 0.228) 2.453 11.315 ( -0.778 0.000 1.087) 1.337 11.605 ( 7.932 0.000 3.316) 8.597 12.076 ( -5.955 0.000 0.684) 5.994 12.301 ( -5.331 0.000 -2.099) 5.729 12.474 ( -0.518 0.000 -2.080) 2.144 12.498 ( 0.195 0.000 -0.052) 0.202 12.671 ( -1.658 0.000 -1.244) 2.073 12.750 ( 0.533 0.000 -3.215) 3.259 13.537 ( -0.180 0.000 0.396) 0.435 13.589 ( -1.043 0.000 -3.443) 3.597 13.742 ( -1.038 0.000 -6.371) 6.455 13.823 ( -0.178 0.000 -1.002) 1.018 13.921 ( 1.078 0.000 -2.752) 2.956 14.281 ( 12.716 0.000 6.289) 14.186 14.306 ( 8.627 0.000 -1.901) 8.834 14.569 ( 5.703 0.000 5.344) 7.815 14.927 ( -5.794 0.000 10.549) 12.036 15.354 ( -13.703 0.000 9.437) 16.638 15.458 ( -13.784 0.000 -13.724) 19.452 16.241 ( -0.014 0.000 -4.768) 4.768 16.456 ( 0.215 0.000 2.017) 2.028 16.545 ( -1.948 0.000 -0.354) 1.979 16.785 ( -7.687 0.000 -0.395) 7.697 17.169 ( 1.169 0.000 3.453) 3.646 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 4.840 0.000 -5.569) 7.379 1.210 ( -7.278 0.000 0.880) 7.331 1.340 ( 17.627 0.000 -1.623) 17.701 1.443 ( -1.297 0.000 4.332) 4.522 1.729 ( 0.358 0.000 2.599) 2.624 1.848 ( -3.786 0.000 -7.107) 8.053 1.859 ( -7.501 0.000 -3.888) 8.448 2.086 ( -10.397 0.000 -0.268) 10.400 2.152 ( 1.031 0.000 0.204) 1.051 2.273 ( -1.425 0.000 -5.901) 6.071 2.346 ( -0.562 0.000 5.677) 5.705 2.367 ( -1.236 0.000 -5.257) 5.400 2.461 ( 0.689 0.000 0.340) 0.768 2.690 ( 2.118 0.000 -2.238) 3.081 2.790 ( -8.316 0.000 -0.530) 8.332 2.805 ( -3.732 0.000 5.075) 6.300 2.919 ( -0.910 0.000 -0.096) 0.915 3.029 ( -5.148 0.000 7.566) 9.151 3.212 ( -0.999 0.000 -3.238) 3.388 3.268 ( -0.292 0.000 0.567) 0.637 3.291 ( -5.811 0.000 1.020) 5.900 3.488 ( 6.294 0.000 -7.428) 9.736 3.599 ( -1.745 0.000 1.682) 2.424 3.969 ( -1.157 0.000 1.625) 1.995 3.986 ( -3.457 0.000 -0.904) 3.574 4.054 ( -2.863 0.000 4.542) 5.369 4.292 ( -4.831 0.000 -1.733) 5.132 4.407 ( 2.379 0.000 0.359) 2.406 4.611 ( -0.832 0.000 0.212) 0.859 4.948 ( 6.630 0.000 -3.243) 7.381 5.016 ( 1.819 0.000 -3.760) 4.177 5.055 ( -0.158 0.000 0.902) 0.916 5.117 ( 5.583 0.000 0.916) 5.658 5.208 ( 0.666 0.000 3.058) 3.130 5.289 ( -0.142 0.000 -1.936) 1.941 5.483 ( 0.947 0.000 0.089) 0.951 5.618 ( 2.524 0.000 1.906) 3.163 6.062 ( 4.151 0.000 0.931) 4.255 6.087 ( 1.400 0.000 -1.841) 2.313 6.196 ( -1.655 0.000 2.285) 2.821 6.280 ( 7.956 0.000 -2.613) 8.375 6.469 ( 0.065 0.000 1.493) 1.495 6.477 ( 9.199 0.000 -0.745) 9.229 6.616 ( 12.851 0.000 -1.980) 13.002 6.675 ( 1.508 0.000 -1.068) 1.848 6.755 ( 1.898 0.000 -2.115) 2.842 6.894 ( 1.058 0.000 0.070) 1.060 6.998 ( 1.964 0.000 1.508) 2.476 7.115 ( -0.121 0.000 1.111) 1.118 7.268 ( -7.681 0.000 2.150) 7.976 7.324 ( -3.222 0.000 2.289) 3.952 7.569 ( -2.265 0.000 -3.598) 4.251 7.700 ( -0.332 0.000 -3.023) 3.042 7.797 ( -0.358 0.000 -0.176) 0.399 7.894 ( 2.913 0.000 -4.366) 5.249 8.168 ( -5.758 0.000 7.128) 9.163 8.392 ( -6.978 0.000 1.512) 7.140 8.435 ( 0.230 0.000 -1.204) 1.226 8.651 ( -2.548 0.000 -0.369) 2.575 8.815 ( 3.049 0.000 1.059) 3.227 9.025 ( -5.185 0.000 3.309) 6.151 9.187 ( -1.229 0.000 -0.113) 1.234 9.196 ( -1.412 0.000 1.331) 1.940 9.453 ( -2.025 0.000 1.718) 2.656 9.712 ( -0.246 0.000 0.654) 0.699 9.795 ( 1.211 0.000 0.250) 1.237 10.123 ( 3.604 0.000 -4.108) 5.465 10.132 ( 4.790 0.000 -2.409) 5.362 10.304 ( 2.557 0.000 4.076) 4.812 10.429 ( 6.636 0.000 -1.022) 6.714 11.198 ( -1.202 0.000 1.425) 1.864 11.214 ( -0.202 0.000 -1.305) 1.321 11.300 ( -1.567 0.000 0.288) 1.593 11.739 ( 4.500 0.000 -0.177) 4.503 12.011 ( -3.738 0.000 1.460) 4.013 12.206 ( -3.989 0.000 -0.781) 4.065 12.449 ( 0.652 0.000 -2.030) 2.132 12.525 ( 0.571 0.000 4.105) 4.144 12.634 ( -1.078 0.000 -1.056) 1.509 12.743 ( 0.646 0.000 0.951) 1.150 13.490 ( -0.043 0.000 -2.673) 2.673 13.623 ( 0.234 0.000 5.159) 5.164 13.659 ( 0.918 0.000 -2.095) 2.287 13.792 ( -0.027 0.000 -0.862) 0.863 13.970 ( 2.097 0.000 0.943) 2.299 14.435 ( 10.297 0.000 -2.576) 10.614 14.507 ( 4.538 0.000 3.895) 5.980 14.735 ( 12.518 0.000 3.773) 13.074 14.904 ( -11.406 0.000 8.099) 13.989 15.094 ( -14.434 0.000 -10.667) 17.948 15.237 ( -10.553 0.000 3.377) 11.081 16.197 ( 1.691 0.000 -4.240) 4.565 16.467 ( -0.557 0.000 0.326) 0.645 16.517 ( -0.875 0.000 -0.555) 1.036 16.678 ( -3.213 0.000 -4.014) 5.141 17.197 ( -0.401 0.000 0.005) 0.401 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.943 0.000 -7.790) 7.847 1.152 ( -4.609 0.000 2.455) 5.222 1.361 ( -5.748 0.000 -3.105) 6.533 1.551 ( 7.612 0.000 -2.774) 8.102 1.720 ( 2.590 0.000 -6.627) 7.115 1.720 ( -0.209 0.000 -0.543) 0.582 1.864 ( 2.445 0.000 -5.506) 6.024 2.045 ( 1.794 0.000 5.574) 5.856 2.143 ( 1.144 0.000 -2.025) 2.326 2.185 ( 1.816 0.000 -0.389) 1.858 2.245 ( -4.495 0.000 -3.473) 5.680 2.416 ( -4.798 0.000 -2.804) 5.557 2.484 ( 4.250 0.000 5.839) 7.222 2.652 ( -3.273 0.000 -0.257) 3.283 2.681 ( 1.459 0.000 -6.023) 6.197 2.833 ( -0.716 0.000 4.451) 4.508 2.929 ( -0.518 0.000 -0.219) 0.563 3.049 ( -2.541 0.000 6.852) 7.308 3.142 ( -1.166 0.000 -5.419) 5.543 3.214 ( -3.619 0.000 -2.074) 4.172 3.238 ( -0.192 0.000 -4.200) 4.204 3.513 ( 4.917 0.000 -3.405) 5.981 3.614 ( 1.411 0.000 1.200) 1.853 3.908 ( -3.643 0.000 -4.173) 5.540 3.945 ( -0.036 0.000 -1.483) 1.483 4.018 ( -6.327 0.000 0.491) 6.346 4.267 ( 2.753 0.000 0.341) 2.774 4.441 ( 0.159 0.000 1.695) 1.702 4.639 ( 1.851 0.000 3.370) 3.845 4.974 ( 2.487 0.000 -3.092) 3.968 4.988 ( 1.773 0.000 -5.576) 5.851 5.053 ( -0.595 0.000 0.050) 0.597 5.178 ( -0.202 0.000 1.913) 1.924 5.219 ( -3.369 0.000 2.148) 3.996 5.356 ( 5.300 0.000 5.222) 7.441 5.502 ( 0.498 0.000 0.958) 1.080 5.669 ( -0.095 0.000 4.076) 4.077 6.077 ( -1.975 0.000 -1.480) 2.468 6.106 ( 2.840 0.000 -0.379) 2.865 6.201 ( -2.302 0.000 3.293) 4.018 6.332 ( 1.804 0.000 -1.802) 2.550 6.463 ( -1.847 0.000 0.500) 1.913 6.584 ( 3.290 0.000 2.904) 4.388 6.684 ( 1.820 0.000 -2.606) 3.179 6.721 ( -0.883 0.000 -1.738) 1.949 6.778 ( 7.436 0.000 -0.969) 7.499 6.894 ( -1.219 0.000 -0.571) 1.346 7.041 ( -1.523 0.000 1.534) 2.162 7.093 ( -2.871 0.000 2.333) 3.699 7.217 ( -0.822 0.000 0.778) 1.132 7.220 ( -6.271 0.000 -4.683) 7.827 7.545 ( 3.518 0.000 -2.279) 4.191 7.652 ( 0.260 0.000 -5.367) 5.373 7.758 ( -1.501 0.000 -2.966) 3.324 7.938 ( 6.263 0.000 -1.559) 6.455 8.023 ( -8.592 0.000 -4.379) 9.643 8.410 ( 1.367 0.000 8.067) 8.182 8.558 ( 2.898 0.000 9.058) 9.510 8.662 ( 2.593 0.000 3.079) 4.025 8.840 ( -0.996 0.000 0.243) 1.025 8.986 ( -3.582 0.000 1.911) 4.060 9.162 ( -0.636 0.000 -1.475) 1.607 9.205 ( -0.575 0.000 2.550) 2.614 9.425 ( -2.157 0.000 -0.803) 2.302 9.698 ( -1.296 0.000 -0.751) 1.498 9.781 ( -1.316 0.000 -2.000) 2.394 10.102 ( 0.803 0.000 -4.918) 4.983 10.156 ( 1.786 0.000 -2.561) 3.122 10.370 ( -0.880 0.000 4.648) 4.731 10.490 ( 1.643 0.000 0.199) 1.655 11.179 ( -1.579 0.000 0.741) 1.744 11.230 ( 1.882 0.000 0.321) 1.909 11.284 ( -0.499 0.000 -0.032) 0.500 11.703 ( -3.013 0.000 -6.423) 7.094 12.001 ( -0.618 0.000 2.291) 2.373 12.189 ( 1.509 0.000 1.085) 1.859 12.449 ( 1.518 0.000 -0.941) 1.786 12.567 ( -2.060 0.000 2.168) 2.991 12.644 ( 1.469 0.000 3.485) 3.782 12.791 ( 1.749 0.000 3.521) 3.932 13.503 ( 2.482 0.000 1.934) 3.147 13.694 ( -0.725 0.000 7.557) 7.592 13.759 ( 6.400 0.000 7.544) 9.893 13.807 ( 1.217 0.000 1.597) 2.007 13.991 ( -0.277 0.000 1.811) 1.832 14.480 ( -6.129 0.000 -3.149) 6.890 14.526 ( 6.113 0.000 -4.817) 7.783 14.780 ( -12.595 0.000 -7.145) 14.481 14.794 ( -11.515 0.000 5.569) 12.791 15.061 ( 20.105 0.000 6.058) 20.998 15.115 ( -6.643 0.000 -2.111) 6.970 16.202 ( 5.125 0.000 -3.981) 6.490 16.448 ( -1.075 0.000 -1.272) 1.666 16.506 ( 0.073 0.000 -0.357) 0.364 16.584 ( -0.453 0.000 -7.378) 7.392 17.156 ( -1.755 0.000 -3.842) 4.224 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.812 0.000 -7.693) 7.735 1.126 ( 2.367 0.000 -0.531) 2.426 1.234 ( -9.628 0.000 -1.061) 9.687 1.481 ( -13.887 0.000 6.508) 15.337 1.629 ( -5.395 0.000 -21.328) 22.000 1.795 ( 11.119 0.000 -1.921) 11.284 1.803 ( 10.135 0.000 -2.616) 10.467 2.015 ( -3.985 0.000 -12.153) 12.790 2.137 ( -3.056 0.000 -2.128) 3.724 2.304 ( 2.604 0.000 0.129) 2.608 2.351 ( 7.616 0.000 13.460) 15.465 2.374 ( 9.432 0.000 6.464) 11.435 2.592 ( -0.850 0.000 -4.247) 4.331 2.592 ( 2.538 0.000 3.511) 4.333 2.687 ( 4.261 0.000 -1.906) 4.668 2.883 ( 2.393 0.000 2.217) 3.261 2.888 ( -1.874 0.000 -2.402) 3.046 3.054 ( -1.373 0.000 -6.272) 6.420 3.099 ( -0.966 0.000 2.312) 2.506 3.135 ( 1.169 0.000 -5.141) 5.272 3.199 ( 2.814 0.000 -4.755) 5.526 3.534 ( 1.729 0.000 -2.036) 2.671 3.673 ( 4.722 0.000 0.334) 4.734 3.794 ( -1.557 0.000 -6.971) 7.143 3.933 ( -5.782 0.000 3.433) 6.724 3.955 ( 3.349 0.000 -0.977) 3.488 4.341 ( 5.632 0.000 -0.172) 5.635 4.450 ( -2.581 0.000 3.339) 4.220 4.717 ( 1.770 0.000 2.876) 3.377 4.943 ( -1.646 0.000 -2.850) 3.291 4.959 ( 3.048 0.000 -4.365) 5.324 5.050 ( 0.335 0.000 -2.061) 2.088 5.155 ( -7.220 0.000 1.173) 7.315 5.198 ( -2.672 0.000 6.977) 7.471 5.508 ( 5.135 0.000 5.492) 7.518 5.510 ( -1.081 0.000 0.709) 1.293 5.702 ( -2.818 0.000 3.817) 4.744 5.982 ( -6.059 0.000 -2.875) 6.707 6.156 ( 1.286 0.000 2.140) 2.497 6.207 ( -0.052 0.000 2.563) 2.564 6.266 ( -5.188 0.000 -4.555) 6.904 6.417 ( -6.361 0.000 0.094) 6.362 6.614 ( -7.010 0.000 -2.093) 7.316 6.647 ( -5.380 0.000 -1.081) 5.487 6.681 ( 2.507 0.000 6.206) 6.693 6.839 ( -1.779 0.000 1.527) 2.345 6.861 ( 0.241 0.000 -1.250) 1.273 6.980 ( -3.728 0.000 0.884) 3.831 7.129 ( 2.521 0.000 -4.860) 5.475 7.152 ( 6.230 0.000 0.643) 6.263 7.223 ( -0.852 0.000 1.135) 1.419 7.583 ( 3.013 0.000 -1.977) 3.604 7.600 ( 1.016 0.000 -3.706) 3.842 7.710 ( 2.829 0.000 -5.389) 6.086 7.891 ( -1.137 0.000 -5.514) 5.630 8.027 ( 4.922 0.000 1.630) 5.185 8.563 ( 3.810 0.000 8.384) 9.209 8.609 ( -2.911 0.000 3.804) 4.790 8.791 ( -4.353 0.000 -1.140) 4.500 8.815 ( 6.145 0.000 4.673) 7.720 8.985 ( 0.934 0.000 2.539) 2.706 9.160 ( 1.943 0.000 1.470) 2.437 9.226 ( -1.138 0.000 2.948) 3.160 9.374 ( -1.600 0.000 -2.762) 3.192 9.664 ( -1.519 0.000 -1.084) 1.866 9.724 ( -2.723 0.000 -1.874) 3.306 10.043 ( -1.036 0.000 -4.436) 4.556 10.120 ( -1.886 0.000 -3.501) 3.976 10.380 ( -4.429 0.000 3.787) 5.827 10.481 ( -3.908 0.000 1.416) 4.157 11.177 ( 0.112 0.000 0.858) 0.866 11.272 ( 1.812 0.000 1.963) 2.672 11.280 ( -0.094 0.000 -0.632) 0.638 11.558 ( -4.256 0.000 -6.485) 7.757 12.038 ( 1.824 0.000 2.146) 2.817 12.259 ( 5.554 0.000 1.026) 5.648 12.470 ( 1.780 0.000 0.072) 1.782 12.540 ( -1.730 0.000 -0.815) 1.912 12.710 ( 0.424 0.000 4.211) 4.233 12.858 ( 1.804 0.000 2.417) 3.016 13.610 ( 3.317 0.000 8.025) 8.683 13.775 ( -0.756 0.000 8.023) 8.058 13.792 ( -3.836 0.000 -3.592) 5.255 13.902 ( 1.027 0.000 5.603) 5.697 14.156 ( 7.697 0.000 18.038) 19.612 14.313 ( -9.701 0.000 -2.059) 9.917 14.500 ( -4.073 0.000 -0.144) 4.076 14.530 ( -10.342 0.000 -5.982) 11.948 14.720 ( -2.280 0.000 -1.107) 2.534 14.973 ( -4.059 0.000 -8.263) 9.206 15.457 ( 21.773 0.000 5.529) 22.465 16.244 ( 9.198 0.000 -9.208) 13.016 16.409 ( -1.329 0.000 -2.134) 2.514 16.489 ( 0.632 0.000 -7.964) 7.989 16.514 ( 0.170 0.000 0.819) 0.836 17.065 ( -1.947 0.000 -6.215) 6.513 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -8.598 0.000 -3.964) 9.467 1.008 ( -16.596 0.000 -1.660) 16.679 1.256 ( 7.028 0.000 -8.958) 11.386 1.294 ( 6.502 0.000 -17.191) 18.380 1.333 ( -17.642 0.000 6.353) 18.751 1.754 ( -3.605 0.000 -11.673) 12.217 1.946 ( 8.201 0.000 0.101) 8.202 1.981 ( 12.293 0.000 0.161) 12.294 2.094 ( -1.348 0.000 1.013) 1.687 2.291 ( -1.931 0.000 1.274) 2.313 2.515 ( -1.938 0.000 -1.556) 2.486 2.560 ( 2.223 0.000 5.205) 5.660 2.694 ( 4.974 0.000 6.678) 8.327 2.696 ( 13.148 0.000 -2.076) 13.311 2.738 ( 7.989 0.000 -0.973) 8.048 2.845 ( 0.636 0.000 -0.043) 0.638 2.954 ( 0.971 0.000 -4.051) 4.166 2.961 ( 2.117 0.000 -0.786) 2.258 3.028 ( 0.238 0.000 -5.895) 5.900 3.173 ( 6.381 0.000 -4.340) 7.717 3.211 ( 3.827 0.000 -3.089) 4.918 3.536 ( 1.984 0.000 -1.888) 2.739 3.718 ( -1.759 0.000 -1.880) 2.575 3.763 ( 5.194 0.000 2.793) 5.897 3.956 ( 2.144 0.000 5.823) 6.205 4.021 ( 5.406 0.000 -0.153) 5.408 4.417 ( 4.919 0.000 -1.337) 5.097 4.445 ( -4.061 0.000 4.805) 6.291 4.727 ( -0.155 0.000 -2.520) 2.525 4.874 ( -1.445 0.000 -4.382) 4.614 4.982 ( -1.577 0.000 1.320) 2.057 4.999 ( -2.182 0.000 -3.303) 3.959 5.048 ( -4.049 0.000 -0.471) 4.076 5.249 ( -5.166 0.000 10.223) 11.454 5.479 ( -2.908 0.000 -0.931) 3.054 5.614 ( 2.281 0.000 1.436) 2.695 5.633 ( -10.056 0.000 1.250) 10.133 5.853 ( -6.205 0.000 -2.476) 6.681 6.089 ( -7.462 0.000 -7.528) 10.599 6.194 ( 1.977 0.000 1.887) 2.733 6.258 ( -14.136 0.000 3.301) 14.516 6.278 ( 3.051 0.000 3.492) 4.637 6.503 ( -4.442 0.000 -0.625) 4.486 6.559 ( -4.644 0.000 0.462) 4.667 6.769 ( -8.458 0.000 2.722) 8.885 6.779 ( 1.710 0.000 2.145) 2.743 6.891 ( 3.190 0.000 2.102) 3.820 6.976 ( 1.888 0.000 -1.456) 2.385 7.154 ( 5.130 0.000 -1.858) 5.456 7.204 ( -1.943 0.000 1.327) 2.353 7.293 ( 9.070 0.000 1.924) 9.272 7.565 ( 1.058 0.000 -4.810) 4.925 7.606 ( 2.666 0.000 -1.148) 2.903 7.744 ( 7.776 0.000 -4.036) 8.761 7.835 ( 1.049 0.000 -5.125) 5.231 8.120 ( 1.562 0.000 5.641) 5.853 8.603 ( -2.046 0.000 2.378) 3.136 8.669 ( -2.069 0.000 2.294) 3.089 8.718 ( -2.522 0.000 4.001) 4.729 8.897 ( 2.635 0.000 -0.344) 2.658 9.070 ( 4.169 0.000 3.001) 5.137 9.241 ( 0.220 0.000 1.537) 1.553 9.245 ( -0.671 0.000 2.675) 2.758 9.348 ( 5.767 0.000 -0.258) 5.772 9.631 ( -0.728 0.000 -1.419) 1.595 9.664 ( -3.328 0.000 -0.268) 3.339 9.977 ( -1.524 0.000 -3.180) 3.527 10.014 ( -5.752 0.000 -4.832) 7.513 10.323 ( -7.494 0.000 2.275) 7.831 10.413 ( -7.215 0.000 2.118) 7.520 11.201 ( 1.429 0.000 1.115) 1.813 11.238 ( -3.388 0.000 -2.676) 4.317 11.331 ( 1.118 0.000 4.293) 4.436 11.465 ( 0.082 0.000 -3.030) 3.031 12.102 ( 3.371 0.000 1.835) 3.838 12.373 ( 7.922 0.000 0.184) 7.925 12.501 ( 1.608 0.000 0.631) 1.727 12.502 ( -1.010 0.000 -1.854) 2.111 12.757 ( 0.102 0.000 3.297) 3.299 12.894 ( 0.813 0.000 0.350) 0.885 13.617 ( -9.737 0.000 -6.243) 11.566 13.749 ( -1.561 0.000 9.876) 9.999 13.856 ( 2.579 0.000 4.206) 4.934 14.000 ( 2.479 0.000 6.112) 6.596 14.183 ( -8.692 0.000 5.130) 10.093 14.335 ( -8.631 0.000 -0.349) 8.638 14.396 ( -7.385 0.000 9.059) 11.687 14.547 ( 3.353 0.000 16.885) 17.214 14.660 ( -1.713 0.000 -3.476) 3.875 14.816 ( 2.553 0.000 -13.945) 14.177 15.831 ( 20.652 0.000 0.575) 20.660 16.195 ( 12.079 0.000 -29.143) 31.547 16.362 ( -1.337 0.000 -2.076) 2.469 16.455 ( 0.796 0.000 1.697) 1.875 16.542 ( -0.319 0.000 4.397) 4.408 16.968 ( -0.676 0.000 -6.299) 6.335 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -18.086 0.000 -7.023) 19.401 0.693 ( -20.693 0.000 -2.367) 20.828 0.991 ( -29.894 0.000 3.976) 30.157 0.998 ( -0.974 0.000 -14.641) 14.673 1.583 ( 23.682 0.000 -1.323) 23.719 1.750 ( 6.290 0.000 2.674) 6.835 2.073 ( 6.899 0.000 1.071) 6.981 2.119 ( 4.806 0.000 0.211) 4.810 2.139 ( 5.853 0.000 0.556) 5.879 2.277 ( -1.172 0.000 0.343) 1.221 2.471 ( -0.871 0.000 -1.788) 1.989 2.612 ( 1.742 0.000 1.316) 2.183 2.629 ( -0.521 0.000 -11.186) 11.199 2.782 ( 0.809 0.000 -4.082) 4.161 2.851 ( 2.557 0.000 2.221) 3.387 2.900 ( 0.660 0.000 0.571) 0.872 2.930 ( 3.242 0.000 -1.030) 3.402 3.059 ( 3.456 0.000 3.970) 5.264 3.093 ( 13.325 0.000 -5.700) 14.493 3.220 ( 7.356 0.000 -2.831) 7.882 3.228 ( 1.068 0.000 -0.802) 1.336 3.543 ( 1.291 0.000 -0.978) 1.620 3.681 ( -5.087 0.000 4.293) 6.656 3.907 ( 6.451 0.000 5.037) 8.184 4.087 ( 2.059 0.000 0.529) 2.126 4.119 ( 9.960 0.000 4.909) 11.104 4.447 ( 1.974 0.000 -2.818) 3.441 4.448 ( -2.547 0.000 4.959) 5.575 4.688 ( 0.450 0.000 -3.651) 3.679 4.811 ( 1.376 0.000 -5.513) 5.683 4.866 ( -9.998 0.000 0.781) 10.028 4.924 ( -1.944 0.000 -3.996) 4.444 5.072 ( 2.439 0.000 0.136) 2.443 5.236 ( -11.724 0.000 8.273) 14.349 5.399 ( -4.698 0.000 -2.552) 5.346 5.460 ( -11.535 0.000 -0.119) 11.536 5.583 ( -2.662 0.000 -4.923) 5.596 5.745 ( -5.247 0.000 0.047) 5.247 5.934 ( -1.319 0.000 -7.253) 7.372 6.097 ( -11.918 0.000 1.494) 12.012 6.255 ( 3.992 0.000 -0.673) 4.049 6.347 ( 0.741 0.000 2.977) 3.068 6.453 ( -0.984 0.000 -0.898) 1.333 6.535 ( 0.452 0.000 0.537) 0.702 6.679 ( -7.506 0.000 3.686) 8.362 6.781 ( -0.569 0.000 -1.476) 1.581 6.960 ( 0.135 0.000 -4.112) 4.114 6.975 ( 2.109 0.000 3.325) 3.937 7.221 ( 2.041 0.000 1.897) 2.786 7.224 ( 3.359 0.000 1.541) 3.696 7.466 ( 7.809 0.000 4.552) 9.039 7.543 ( 4.577 0.000 -5.525) 7.175 7.627 ( 1.412 0.000 -1.385) 1.978 7.788 ( -1.071 0.000 -3.093) 3.273 7.834 ( 8.328 0.000 -1.657) 8.491 8.225 ( -0.059 0.000 12.241) 12.241 8.596 ( -5.581 0.000 1.022) 5.674 8.621 ( 2.035 0.000 1.450) 2.499 8.808 ( 0.440 0.000 10.581) 10.590 8.942 ( 4.387 0.000 -0.535) 4.420 9.108 ( -3.854 0.000 1.402) 4.101 9.171 ( -6.185 0.000 -0.747) 6.230 9.293 ( 6.435 0.000 -1.780) 6.677 9.528 ( 10.678 0.000 3.205) 11.149 9.611 ( -5.023 0.000 1.270) 5.181 9.624 ( 2.243 0.000 -0.386) 2.276 9.838 ( -7.870 0.000 -5.723) 9.731 9.926 ( -1.083 0.000 -2.011) 2.284 10.206 ( -9.744 0.000 0.586) 9.762 10.320 ( -7.798 0.000 1.754) 7.993 11.138 ( -4.127 0.000 -2.904) 5.046 11.242 ( 1.877 0.000 1.277) 2.270 11.413 ( 0.825 0.000 7.754) 7.798 11.467 ( 2.011 0.000 -0.930) 2.216 12.181 ( 3.784 0.000 2.134) 4.344 12.468 ( 0.781 0.000 -2.522) 2.640 12.499 ( 8.019 0.000 -0.974) 8.078 12.530 ( 0.937 0.000 0.827) 1.250 12.792 ( -0.124 0.000 2.668) 2.671 12.896 ( -0.314 0.000 -0.339) 0.462 13.388 ( -10.122 0.000 -5.250) 11.402 13.748 ( -4.211 0.000 0.436) 4.233 13.953 ( 1.297 0.000 3.596) 3.822 14.105 ( 2.234 0.000 4.574) 5.091 14.129 ( -1.051 0.000 -0.958) 1.422 14.338 ( -9.322 0.000 4.874) 10.519 14.351 ( -6.797 0.000 23.406) 24.373 14.508 ( -6.943 0.000 -3.278) 7.678 14.679 ( 5.640 0.000 -9.030) 10.647 14.915 ( 4.180 0.000 16.237) 16.766 15.801 ( 8.139 0.000 -51.146) 51.789 16.186 ( 15.452 0.000 -3.572) 15.860 16.324 ( -0.994 0.000 -1.206) 1.563 16.507 ( 2.825 0.000 0.867) 2.955 16.628 ( -1.544 0.000 14.271) 14.354 16.907 ( 1.198 0.000 -4.562) 4.717 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -15.239 0.000 4.337) 15.844 0.366 ( -20.198 0.000 4.464) 20.686 0.690 ( -30.094 0.000 26.580) 40.151 0.956 ( 3.409 0.000 5.063) 6.104 1.876 ( 3.103 0.000 3.532) 4.702 1.892 ( 14.629 0.000 0.016) 14.629 2.162 ( -2.869 0.000 1.962) 3.476 2.163 ( 2.797 0.000 0.366) 2.821 2.244 ( -0.774 0.000 -7.085) 7.127 2.255 ( 14.290 0.000 -4.315) 14.928 2.452 ( -0.187 0.000 0.945) 0.963 2.514 ( 4.782 0.000 -11.736) 12.673 2.649 ( 3.680 0.000 -4.409) 5.743 2.722 ( 0.980 0.000 -2.101) 2.318 2.908 ( -0.480 0.000 5.001) 5.024 2.935 ( 1.799 0.000 0.328) 1.829 2.959 ( 4.913 0.000 -4.555) 6.700 3.102 ( -6.197 0.000 3.798) 7.268 3.123 ( 2.717 0.000 2.582) 3.748 3.210 ( -3.470 0.000 2.207) 4.113 3.317 ( 0.531 0.000 1.518) 1.608 3.597 ( 7.291 0.000 0.488) 7.307 3.679 ( -2.859 0.000 6.740) 7.321 3.966 ( -7.829 0.000 3.116) 8.426 4.132 ( 3.758 0.000 0.804) 3.844 4.353 ( 13.319 0.000 3.421) 13.752 4.428 ( 1.776 0.000 -2.961) 3.453 4.478 ( -0.001 0.000 1.709) 1.709 4.665 ( 0.237 0.000 -0.691) 0.731 4.748 ( -5.565 0.000 0.828) 5.627 4.785 ( 1.308 0.000 -5.401) 5.557 4.834 ( -1.595 0.000 -5.851) 6.064 5.099 ( 1.300 0.000 0.035) 1.301 5.108 ( -10.789 0.000 2.978) 11.192 5.279 ( -5.936 0.000 -2.398) 6.403 5.331 ( -3.885 0.000 -0.861) 3.979 5.498 ( -3.373 0.000 -3.491) 4.854 5.606 ( -22.235 0.000 -34.209) 40.800 5.699 ( -4.775 0.000 0.255) 4.782 5.940 ( -4.969 0.000 0.828) 5.037 6.275 ( 1.590 0.000 -3.550) 3.890 6.382 ( 1.299 0.000 0.430) 1.368 6.443 ( 0.317 0.000 -0.586) 0.667 6.544 ( 0.447 0.000 -1.463) 1.529 6.632 ( -4.336 0.000 3.130) 5.348 6.773 ( 0.658 0.000 1.801) 1.917 6.918 ( 0.717 0.000 -2.327) 2.435 7.012 ( -0.456 0.000 0.561) 0.723 7.264 ( 0.997 0.000 -1.631) 1.912 7.274 ( 2.035 0.000 -0.725) 2.160 7.567 ( 3.730 0.000 -2.368) 4.418 7.608 ( 3.307 0.000 -1.880) 3.804 7.632 ( 1.546 0.000 5.328) 5.548 7.735 ( -2.928 0.000 0.455) 2.963 7.941 ( 6.067 0.000 -0.955) 6.142 8.389 ( 3.263 0.000 0.325) 3.280 8.550 ( -5.237 0.000 0.714) 5.286 8.708 ( 6.422 0.000 1.525) 6.601 8.884 ( -3.807 0.000 -10.477) 11.147 8.938 ( -3.440 0.000 -4.191) 5.422 9.039 ( -1.855 0.000 7.959) 8.172 9.157 ( 4.710 0.000 3.545) 5.895 9.478 ( -12.583 0.000 -1.267) 12.647 9.520 ( 15.502 0.000 26.971) 31.109 9.676 ( 4.116 0.000 -1.487) 4.376 9.709 ( 8.029 0.000 0.576) 8.049 9.745 ( 2.580 0.000 1.362) 2.918 9.894 ( -0.601 0.000 -1.681) 1.785 10.047 ( -10.115 0.000 -0.790) 10.145 10.213 ( -7.194 0.000 0.117) 7.195 11.070 ( -1.477 0.000 -0.705) 1.636 11.279 ( 0.910 0.000 1.046) 1.387 11.484 ( 1.306 0.000 -0.742) 1.502 11.526 ( 0.569 0.000 0.911) 1.074 12.278 ( 4.587 0.000 5.555) 7.204 12.456 ( 1.398 0.000 -2.058) 2.488 12.548 ( -0.029 0.000 1.085) 1.086 12.598 ( 6.939 0.000 -2.764) 7.469 12.807 ( -1.181 0.000 0.979) 1.534 12.883 ( -0.816 0.000 -0.834) 1.167 13.223 ( -5.349 0.000 -0.770) 5.404 13.688 ( -2.467 0.000 -0.809) 2.596 13.923 ( -17.182 0.000 -36.111) 39.991 13.990 ( -19.601 0.000 -33.385) 38.714 14.125 ( -0.821 0.000 -4.347) 4.424 14.196 ( -5.485 0.000 -8.242) 9.901 14.256 ( -5.388 0.000 0.766) 5.442 14.412 ( -2.095 0.000 1.441) 2.543 14.682 ( 3.470 0.000 -3.121) 4.667 15.135 ( -2.543 0.000 18.716) 18.888 15.592 ( 20.804 0.000 32.335) 38.450 16.308 ( -0.236 0.000 0.218) 0.322 16.320 ( 9.325 0.000 -8.037) 12.311 16.565 ( 2.740 0.000 2.097) 3.450 16.898 ( 2.458 0.000 -1.911) 3.114 16.937 ( 14.745 0.000 33.335) 36.450 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 5.922 12.706 11.849) 18.355 0.637 ( -2.559 16.351 13.823) 21.563 1.033 ( -3.265 17.060 28.930) 33.744 1.205 ( 4.178 0.003 17.960) 18.440 1.884 ( -1.893 -2.951 0.658) 3.567 1.891 ( -5.189 -13.489 -1.220) 14.504 1.964 ( 8.028 -5.002 -0.827) 9.495 2.134 ( 0.048 1.262 -4.109) 4.298 2.246 ( -4.823 0.300 3.109) 5.746 2.309 ( 2.614 -0.390 -9.377) 9.742 2.421 ( 6.914 -0.706 -6.234) 9.336 2.603 ( 3.955 -2.491 -4.928) 6.792 2.663 ( 8.271 -1.017 -3.299) 8.963 2.732 ( -0.306 -4.369 -2.895) 5.250 2.839 ( -4.794 -0.391 7.616) 9.007 2.961 ( -1.897 -1.398 4.188) 4.805 2.993 ( -4.004 3.313 -0.383) 5.211 3.217 ( 1.362 3.775 0.705) 4.074 3.235 ( 1.679 1.757 3.121) 3.956 3.293 ( -0.152 1.046 -4.748) 4.864 3.576 ( 29.241 0.653 4.313) 29.564 3.662 ( -1.898 -1.563 6.976) 7.396 3.823 ( -1.585 0.361 0.776) 1.802 3.902 ( -4.420 9.277 0.855) 10.311 3.979 ( -15.574 -7.520 8.996) 19.494 4.357 ( -11.503 -2.771 -4.756) 12.752 4.437 ( 0.528 -1.957 -0.809) 2.182 4.468 ( 2.828 0.635 0.202) 2.905 4.572 ( -9.902 -0.260 -1.025) 9.959 4.715 ( 2.935 -0.592 -1.823) 3.505 4.730 ( 8.757 -0.941 1.883) 9.006 4.771 ( 2.174 2.938 -2.711) 4.550 4.895 ( -3.798 -0.609 1.766) 4.232 4.972 ( -0.234 -5.345 1.577) 5.578 5.199 ( 0.201 1.098 -2.605) 2.834 5.261 ( 1.736 0.274 -0.067) 1.759 5.359 ( 4.544 3.969 -0.710) 6.075 5.491 ( 2.638 -0.683 -0.219) 2.734 5.705 ( -0.374 2.534 1.180) 2.820 5.914 ( 0.681 -1.717 2.137) 2.824 6.241 ( 0.634 0.983 -6.211) 6.320 6.362 ( 0.144 -1.379 -2.615) 2.959 6.452 ( -1.243 0.652 -2.151) 2.569 6.515 ( -1.835 -1.393 -2.206) 3.190 6.634 ( -0.426 1.882 -2.084) 2.840 6.735 ( -0.589 -3.432 0.697) 3.552 6.933 ( 2.897 -0.020 -2.819) 4.043 6.996 ( -1.147 0.696 -1.939) 2.358 7.230 ( 2.124 -0.451 -1.730) 2.777 7.324 ( 1.848 1.597 -1.087) 2.674 7.567 ( -2.788 2.612 -1.626) 4.152 7.649 ( -1.327 2.761 3.904) 4.962 7.710 ( 1.180 -2.063 4.750) 5.312 7.785 ( -0.066 2.740 -0.598) 2.805 7.907 ( -4.342 -3.348 -1.716) 5.745 8.095 ( -10.135 -0.583 -0.175) 10.153 8.498 ( 0.039 2.718 -1.635) 3.172 8.632 ( -1.199 -4.368 4.584) 6.444 8.778 ( 3.261 -3.985 -1.652) 5.408 8.883 ( 5.812 -4.355 1.641) 7.445 9.096 ( -2.261 2.381 6.486) 7.270 9.212 ( -6.961 -0.848 0.983) 7.081 9.385 ( 2.504 2.922 1.150) 4.016 9.576 ( 1.675 -3.784 5.850) 7.166 9.760 ( -1.662 -0.851 -0.015) 1.867 9.809 ( -3.929 -0.127 -2.150) 4.481 9.868 ( -1.396 -0.782 -0.032) 1.601 9.870 ( 4.454 0.833 -0.035) 4.531 9.948 ( -0.310 2.421 -1.467) 2.848 10.200 ( -3.134 -0.380 -5.729) 6.541 11.081 ( 1.849 0.275 1.490) 2.390 11.175 ( -4.634 -2.004 0.567) 5.080 11.333 ( -0.911 3.041 0.545) 3.221 11.481 ( 0.536 -0.662 -1.039) 1.343 12.305 ( -1.465 -0.373 1.221) 1.943 12.469 ( 1.761 0.936 -2.172) 2.949 12.541 ( -0.062 -0.087 0.180) 0.209 12.564 ( 2.613 -5.599 -3.428) 7.066 12.768 ( -3.718 -0.535 -5.288) 6.486 12.794 ( -1.394 -0.644 -1.650) 2.254 13.225 ( 5.063 1.003 8.392) 9.852 13.258 ( 4.790 1.319 5.655) 7.528 13.751 ( 1.643 5.316 0.847) 5.628 13.967 ( 0.529 3.029 -1.463) 3.405 14.022 ( -0.662 -2.388 -6.660) 7.106 14.193 ( 1.382 2.996 -0.938) 3.430 14.328 ( -2.762 3.893 -4.916) 6.852 14.432 ( 0.109 -1.254 8.015) 8.113 14.633 ( -1.777 -0.671 -2.158) 2.874 15.185 ( -5.913 -8.513 17.126) 20.018 16.248 ( 7.970 3.118 -3.568) 9.272 16.308 ( 3.460 1.209 -5.577) 6.674 16.402 ( 1.200 6.767 -4.136) 8.021 16.656 ( -0.286 3.499 2.493) 4.306 16.882 ( 2.953 -4.749 0.794) 5.648 17.154 ( -5.269 -14.451 8.816) 17.729 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -6.328 10.881 16.641) 20.865 0.799 ( 11.549 10.752 10.183) 18.780 1.373 ( 0.465 7.129 17.657) 19.048 1.500 ( 4.020 -0.618 19.956) 20.366 1.741 ( -9.798 -6.813 2.648) 12.224 1.860 ( 0.011 2.141 0.060) 2.142 2.025 ( -0.768 -1.341 -1.192) 1.951 2.100 ( -0.151 -6.444 2.082) 6.773 2.185 ( -3.031 -6.700 -0.533) 7.373 2.314 ( 4.768 4.587 -2.473) 7.064 2.458 ( 4.095 2.259 -3.701) 5.964 2.572 ( 0.103 3.054 -12.549) 12.916 2.635 ( 4.885 1.423 -5.845) 7.749 2.791 ( -9.066 3.375 5.432) 11.095 2.843 ( 3.031 -11.138 5.469) 12.773 2.967 ( -1.101 -2.923 4.125) 5.174 3.016 ( 1.013 1.105 5.008) 5.228 3.125 ( -11.242 -1.852 -4.501) 12.250 3.231 ( -2.351 1.431 1.929) 3.361 3.267 ( -0.081 1.458 0.122) 1.466 3.566 ( -12.838 -0.911 2.605) 13.131 3.718 ( -17.154 0.731 6.024) 18.196 3.804 ( 0.544 5.445 2.256) 5.919 3.890 ( -0.230 -0.038 -2.175) 2.187 4.075 ( 10.288 -1.958 3.081) 10.916 4.181 ( -3.007 -2.218 -2.402) 4.442 4.339 ( -6.140 2.404 -5.119) 8.348 4.481 ( 6.109 -0.409 -3.090) 6.858 4.550 ( 3.984 -1.642 -1.629) 4.607 4.772 ( 2.252 1.488 -1.326) 3.008 4.785 ( 3.720 -2.782 2.129) 5.110 4.855 ( 0.641 1.308 1.088) 1.818 4.969 ( 10.127 -3.092 0.319) 10.593 4.994 ( 0.568 -4.503 1.887) 4.916 5.240 ( 9.195 -0.645 -3.525) 9.868 5.311 ( 6.875 -2.785 -2.767) 7.917 5.449 ( 7.641 3.396 -2.167) 8.638 5.580 ( 8.797 -0.505 -0.497) 8.826 5.747 ( 3.466 2.519 2.378) 4.901 5.992 ( 4.966 -2.413 3.389) 6.479 6.176 ( 1.878 0.965 -7.370) 7.666 6.311 ( 0.908 -2.022 -6.245) 6.627 6.406 ( -1.467 -0.358 -1.304) 1.995 6.438 ( -4.386 -0.197 -1.887) 4.779 6.636 ( 0.548 0.760 1.166) 1.496 6.727 ( -0.757 -2.838 -0.035) 2.938 6.923 ( 0.390 0.572 -4.065) 4.123 6.999 ( 4.406 0.066 -1.808) 4.763 7.223 ( -1.988 1.933 -2.396) 3.665 7.281 ( -1.179 2.601 -3.274) 4.344 7.503 ( -4.002 3.640 0.181) 5.412 7.671 ( -1.225 0.704 4.761) 4.966 7.758 ( -1.468 -0.710 3.918) 4.243 7.824 ( -1.912 0.373 -1.295) 2.339 7.838 ( 0.840 -3.752 5.783) 6.945 8.017 ( -2.884 -2.069 -1.070) 3.708 8.515 ( 4.148 1.321 -1.431) 4.582 8.560 ( -2.842 -0.701 -3.640) 4.671 8.808 ( -3.399 -2.763 1.716) 4.704 8.962 ( 0.457 -4.272 -0.018) 4.297 9.145 ( -3.163 1.863 5.754) 6.825 9.180 ( 2.513 1.165 6.205) 6.795 9.463 ( -0.640 0.485 2.594) 2.716 9.572 ( -5.361 0.441 -0.334) 5.390 9.639 ( -10.723 -0.073 -1.977) 10.904 9.746 ( 0.731 -0.530 1.432) 1.693 9.839 ( -0.499 0.730 -0.649) 1.097 9.924 ( 3.463 0.348 0.116) 3.483 10.015 ( 9.579 1.515 -2.473) 10.009 10.147 ( 4.895 -0.084 -4.676) 6.770 11.149 ( 2.819 -0.659 2.871) 4.077 11.175 ( 3.106 -0.487 -0.590) 3.199 11.325 ( -1.025 2.766 0.527) 2.996 11.469 ( -0.047 -0.787 -1.212) 1.446 12.262 ( -4.808 0.874 0.474) 4.910 12.463 ( 0.821 0.076 -3.015) 3.126 12.518 ( -3.301 -4.043 -2.094) 5.624 12.537 ( -0.439 0.063 -0.257) 0.512 12.702 ( 0.100 -2.356 -3.076) 3.876 12.769 ( 1.373 -2.371 -3.010) 4.071 13.426 ( 7.319 1.710 3.643) 8.353 13.441 ( 8.995 1.788 6.435) 11.203 13.845 ( 6.321 2.789 1.493) 7.068 13.899 ( -2.215 3.048 -4.079) 5.553 13.975 ( 2.614 0.886 -5.756) 6.384 14.210 ( -0.494 6.067 -8.230) 10.236 14.253 ( 2.531 -0.002 3.676) 4.463 14.468 ( -2.281 5.778 -3.827) 7.296 14.627 ( -1.119 -7.973 10.308) 13.080 15.265 ( -8.116 -10.037 14.552) 19.452 16.189 ( -4.108 5.774 -10.540) 12.701 16.306 ( 2.957 0.486 -3.684) 4.749 16.401 ( 0.197 3.859 2.401) 4.549 16.650 ( -2.645 3.246 1.348) 4.399 16.947 ( 1.455 -5.676 3.685) 6.921 17.038 ( -15.417 -8.948 5.607) 18.687 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 2.300 5.632 11.738) 13.221 1.083 ( 9.823 6.428 8.364) 14.414 1.371 ( -6.755 1.332 1.977) 7.163 1.609 ( -10.480 0.707 -0.390) 10.511 1.757 ( 0.308 -0.484 13.699) 13.711 1.922 ( 0.399 -1.181 3.938) 4.131 1.999 ( 0.123 -0.771 -1.486) 1.679 2.119 ( -4.004 -6.345 2.239) 7.830 2.208 ( 0.382 -2.048 7.669) 7.947 2.321 ( -3.659 1.890 -6.537) 7.727 2.376 ( 4.890 5.154 -7.012) 9.982 2.497 ( 0.030 4.642 2.035) 5.069 2.618 ( -1.978 0.503 -8.336) 8.582 2.749 ( 1.336 2.865 2.272) 3.893 2.862 ( -13.105 -3.272 -2.177) 13.682 2.886 ( -4.051 -4.407 2.787) 6.603 3.032 ( -1.587 -2.164 5.620) 6.228 3.095 ( -0.455 -2.750 4.567) 5.351 3.192 ( -3.768 0.786 1.099) 4.003 3.271 ( 1.289 1.065 -0.790) 1.849 3.419 ( -6.212 -2.655 -1.590) 6.941 3.529 ( -13.562 -1.288 3.838) 14.154 3.758 ( -9.960 0.770 -0.468) 10.000 3.854 ( 0.801 4.402 3.151) 5.473 4.116 ( -8.951 -0.491 3.214) 9.523 4.176 ( -2.065 0.756 1.832) 2.862 4.290 ( 6.145 2.141 -0.974) 6.580 4.531 ( -3.465 1.956 1.599) 4.288 4.610 ( 14.252 -3.416 -7.720) 16.565 4.754 ( 1.225 3.789 -3.726) 5.454 4.889 ( 5.000 -5.783 0.806) 7.687 4.909 ( 4.573 0.378 2.002) 5.007 5.039 ( 1.707 -2.039 3.092) 4.078 5.055 ( 1.750 -2.629 -0.541) 3.205 5.360 ( 10.398 -1.575 -5.370) 11.809 5.387 ( 6.098 -2.265 -1.954) 6.792 5.510 ( 5.525 3.872 -4.356) 8.031 5.764 ( 17.083 -2.411 -3.082) 17.526 5.863 ( 6.673 1.698 3.968) 7.947 6.124 ( 7.395 -3.065 0.403) 8.015 6.149 ( 3.658 1.136 -2.675) 4.672 6.276 ( 1.678 -1.416 -3.584) 4.203 6.359 ( -0.085 0.286 -1.546) 1.574 6.393 ( 1.825 -0.386 -2.165) 2.858 6.660 ( 0.298 -0.551 1.268) 1.414 6.723 ( 0.301 -1.339 0.573) 1.487 6.877 ( -0.477 1.543 -3.192) 3.578 7.044 ( 4.690 0.060 -3.390) 5.787 7.125 ( -4.544 4.796 -2.320) 7.002 7.262 ( -0.825 -1.850 0.983) 2.251 7.452 ( -5.222 3.177 2.884) 6.759 7.693 ( -2.115 0.557 2.888) 3.622 7.752 ( -4.275 -1.133 2.191) 4.936 7.814 ( 1.436 1.244 -0.973) 2.134 7.901 ( -1.799 -5.932 4.975) 7.949 7.972 ( -0.396 -2.576 -0.568) 2.668 8.501 ( 0.330 0.590 -3.031) 3.106 8.587 ( 6.359 0.714 -0.806) 6.450 8.725 ( -7.988 -1.985 0.233) 8.234 8.920 ( -3.288 -2.231 -2.242) 4.563 9.191 ( -1.356 1.800 4.591) 5.114 9.256 ( -2.619 -0.498 2.806) 3.871 9.318 ( -12.360 3.160 -0.471) 12.766 9.451 ( -7.443 -0.736 0.931) 7.537 9.631 ( 4.385 1.275 3.313) 5.642 9.762 ( 0.446 5.258 0.680) 5.321 9.906 ( 6.617 -4.304 1.347) 8.008 9.997 ( 5.683 -0.852 -0.635) 5.782 10.126 ( 8.238 1.176 -2.246) 8.619 10.209 ( 8.562 -0.300 -3.350) 9.199 11.190 ( 1.404 0.147 -0.063) 1.413 11.245 ( 1.962 -0.841 1.957) 2.896 11.321 ( 0.034 2.416 0.728) 2.523 11.474 ( 2.700 -1.475 0.153) 3.081 12.182 ( -5.930 1.510 0.252) 6.125 12.386 ( -4.713 -2.179 -3.445) 6.231 12.476 ( -0.376 -1.477 -1.212) 1.948 12.523 ( -0.260 0.233 -1.040) 1.097 12.675 ( -0.510 -2.348 -1.435) 2.798 12.750 ( 0.699 -2.654 -3.345) 4.327 13.514 ( 3.015 2.019 0.583) 3.675 13.649 ( 6.169 -0.695 2.161) 6.573 13.747 ( -1.985 3.179 -5.677) 6.803 13.925 ( 0.238 3.471 -3.139) 4.685 14.048 ( -4.000 -0.331 -10.380) 11.129 14.081 ( 10.590 3.733 4.726) 12.182 14.333 ( 1.870 6.890 -1.539) 7.303 14.451 ( 5.378 4.388 3.950) 7.986 14.759 ( -0.378 -7.691 11.708) 14.014 15.262 ( -9.563 -11.785 7.768) 17.049 15.947 ( -11.702 9.287 -8.626) 17.251 16.281 ( -0.097 -1.013 -4.363) 4.480 16.440 ( 0.185 2.306 2.992) 3.782 16.621 ( -2.414 3.558 0.699) 4.356 16.856 ( -12.853 -6.729 4.001) 15.050 17.037 ( 1.672 -4.921 4.476) 6.859 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 10.717 1.531 4.284) 11.643 1.224 ( 1.263 2.266 1.822) 3.170 1.354 ( -7.824 2.250 4.998) 9.553 1.479 ( 0.437 9.204 2.274) 9.491 1.790 ( -4.760 1.522 -0.656) 5.040 1.867 ( -7.407 -3.666 -2.908) 8.761 1.980 ( -0.137 -6.250 -2.721) 6.818 2.112 ( -1.776 -1.981 2.970) 3.987 2.189 ( 1.247 -2.062 1.090) 2.645 2.264 ( -4.540 -2.103 -6.268) 8.020 2.389 ( -0.872 3.253 -1.440) 3.663 2.472 ( -1.424 1.930 -2.261) 3.296 2.551 ( -0.719 4.581 1.173) 4.783 2.680 ( -5.030 2.009 1.445) 5.605 2.822 ( 0.517 0.358 1.217) 1.370 2.839 ( -5.026 -1.424 2.379) 5.740 3.025 ( -6.826 -0.015 5.982) 9.076 3.056 ( -4.666 0.743 -0.894) 4.808 3.208 ( -0.110 -0.050 3.919) 3.921 3.264 ( -0.510 -0.740 -1.642) 1.872 3.326 ( -5.304 -4.211 -0.699) 6.809 3.434 ( -0.081 -3.382 -1.778) 3.822 3.634 ( -6.504 0.067 1.445) 6.663 3.883 ( -3.301 -4.775 3.279) 6.667 4.033 ( -4.861 3.509 3.188) 6.790 4.139 ( -4.669 2.066 1.768) 5.403 4.368 ( 3.334 1.986 0.213) 3.886 4.471 ( -3.836 4.994 -0.448) 6.313 4.688 ( 0.412 3.107 -1.560) 3.501 4.792 ( 11.331 -2.701 -4.225) 12.391 4.935 ( 1.683 -6.643 -0.821) 6.901 5.021 ( 5.873 0.153 1.020) 5.963 5.049 ( 0.001 -1.575 -0.745) 1.742 5.121 ( 3.099 -1.321 3.558) 4.900 5.365 ( 1.708 0.246 -5.709) 5.964 5.456 ( 2.159 -1.368 -0.421) 2.591 5.566 ( 7.580 3.725 -2.689) 8.864 5.947 ( 9.814 -2.591 -2.122) 10.369 6.011 ( 5.953 -1.871 1.551) 6.430 6.198 ( -1.181 -1.957 0.638) 2.373 6.206 ( 7.848 3.860 -2.751) 9.169 6.312 ( 11.149 -1.295 -1.056) 11.273 6.421 ( 3.557 -0.203 -0.091) 3.564 6.453 ( 12.200 -0.047 -2.175) 12.393 6.671 ( 0.182 -0.033 0.581) 0.610 6.753 ( 1.689 0.376 1.437) 2.249 6.842 ( -0.202 -0.137 -1.441) 1.462 7.038 ( 0.019 3.312 -2.928) 4.421 7.083 ( 0.432 -0.364 0.147) 0.584 7.267 ( -1.996 -2.585 3.155) 4.540 7.401 ( -6.486 2.933 3.541) 7.951 7.660 ( -4.342 0.399 -1.492) 4.608 7.706 ( -2.246 -1.926 1.223) 3.202 7.825 ( 1.108 2.174 -0.719) 2.544 7.889 ( -1.717 -4.322 -0.846) 4.727 8.015 ( 0.260 -4.260 6.943) 8.149 8.470 ( -1.904 0.152 -2.223) 2.930 8.566 ( -7.836 0.944 -3.922) 8.813 8.692 ( 4.602 -1.964 1.668) 5.275 8.807 ( -4.967 -0.318 -4.845) 6.946 9.115 ( -9.356 2.010 1.396) 9.671 9.188 ( -3.547 -0.826 1.233) 3.845 9.251 ( -2.332 2.702 2.125) 4.154 9.431 ( -1.463 -1.478 3.103) 3.736 9.733 ( 2.882 3.561 3.486) 5.757 9.792 ( 1.784 4.580 1.252) 5.072 10.023 ( 6.208 -3.603 0.531) 7.197 10.070 ( 5.726 -1.734 -2.303) 6.410 10.219 ( 5.767 0.857 -0.027) 5.830 10.313 ( 8.458 -0.902 -1.907) 8.717 11.203 ( -0.033 0.878 0.531) 1.027 11.247 ( -1.891 0.019 0.212) 1.903 11.334 ( 0.146 1.890 0.104) 1.898 11.579 ( 7.579 -2.546 2.755) 8.456 12.094 ( -5.564 1.644 0.275) 5.809 12.274 ( -5.280 -2.370 -2.155) 6.176 12.456 ( 0.061 -0.913 -1.653) 1.890 12.511 ( 0.462 0.368 -0.888) 1.066 12.649 ( -1.630 -1.738 -0.457) 2.426 12.716 ( -0.631 -2.629 -1.927) 3.320 13.547 ( 0.061 0.964 -0.911) 1.327 13.582 ( -0.919 -0.402 -4.755) 4.860 13.747 ( -0.914 0.272 -4.945) 5.036 13.869 ( -1.849 -3.147 -4.554) 5.836 13.941 ( 1.769 8.930 2.004) 9.321 14.299 ( 6.607 4.017 3.458) 8.470 14.402 ( 11.037 5.403 1.564) 12.387 14.610 ( 6.639 3.306 4.281) 8.564 14.862 ( -2.926 -5.458 9.510) 11.348 15.159 ( -8.936 -11.523 -0.149) 14.583 15.653 ( -15.938 11.456 -4.614) 20.163 16.210 ( -1.594 -3.096 -4.774) 5.909 16.464 ( -0.579 1.026 1.431) 1.853 16.598 ( -1.481 4.418 0.552) 4.692 16.729 ( -7.258 -4.441 0.557) 8.528 17.104 ( 0.746 -5.868 3.213) 6.731 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -2.241 0.805 -2.656) 3.567 1.253 ( 3.124 4.419 -0.630) 5.449 1.311 ( 8.174 -0.536 1.962) 8.423 1.547 ( -3.822 7.684 -0.884) 8.627 1.687 ( -2.348 -5.468 -4.487) 7.453 1.770 ( 0.988 2.429 1.157) 2.866 1.919 ( -2.921 -5.212 -0.381) 5.987 2.066 ( -6.992 2.602 -5.320) 9.162 2.134 ( 0.227 0.239 2.545) 2.566 2.222 ( 0.505 -3.971 -3.583) 5.373 2.371 ( -4.618 1.296 1.099) 4.921 2.416 ( 2.177 -0.098 -3.608) 4.215 2.511 ( -2.026 5.385 -2.114) 6.130 2.673 ( 1.808 -1.988 -4.890) 5.580 2.747 ( -6.106 1.491 2.822) 6.890 2.864 ( -3.529 2.124 6.242) 7.478 2.982 ( -2.637 3.249 1.294) 4.380 3.018 ( -3.258 0.746 4.154) 5.331 3.205 ( -0.707 -0.751 -3.726) 3.866 3.244 ( -4.371 -4.007 0.138) 5.931 3.251 ( -1.304 -1.521 0.813) 2.162 3.433 ( 4.670 -4.581 -5.402) 8.484 3.589 ( -2.980 -0.592 2.896) 4.197 3.829 ( -5.258 -8.242 0.751) 9.805 4.033 ( -1.296 2.208 2.419) 3.522 4.085 ( -4.595 0.793 0.907) 4.750 4.376 ( -1.500 6.992 -0.910) 7.208 4.449 ( 2.020 4.041 -0.132) 4.520 4.667 ( -0.581 4.831 -0.265) 4.873 4.897 ( 6.089 -4.673 -3.150) 8.296 4.939 ( 2.044 -6.226 -2.776) 7.117 5.030 ( -0.531 -2.647 0.152) 2.704 5.125 ( 4.439 0.655 1.566) 4.753 5.194 ( 0.854 -1.207 3.132) 3.463 5.334 ( 1.093 3.214 -1.406) 3.675 5.474 ( 1.348 -0.859 -0.072) 1.600 5.645 ( 3.150 2.863 1.508) 4.516 6.015 ( 3.558 -4.597 -2.267) 6.240 6.097 ( 3.067 1.113 1.343) 3.528 6.183 ( -1.291 -0.461 1.829) 2.286 6.290 ( 5.881 0.733 -2.079) 6.281 6.447 ( 0.988 -2.074 1.892) 2.976 6.521 ( 12.473 3.163 -2.631) 13.134 6.609 ( 9.865 -0.822 -2.128) 10.126 6.693 ( 3.065 1.555 -0.450) 3.466 6.776 ( 0.129 2.653 -0.957) 2.823 6.856 ( 2.080 -3.049 1.265) 3.902 7.028 ( 0.808 1.934 0.317) 2.120 7.088 ( -1.111 -1.794 1.047) 2.356 7.248 ( -4.648 -1.428 1.733) 5.162 7.344 ( -5.391 1.553 1.638) 5.844 7.561 ( -2.925 -1.410 -4.012) 5.161 7.694 ( 0.416 -0.023 -1.787) 1.835 7.808 ( -3.653 -0.435 -0.174) 3.683 7.878 ( 4.572 -0.243 -2.850) 5.393 8.093 ( -4.692 -5.477 7.880) 10.682 8.377 ( -5.552 -0.017 -0.348) 5.563 8.434 ( -2.157 -0.566 -1.086) 2.481 8.700 ( -1.337 2.799 -0.803) 3.204 8.794 ( 3.323 -1.623 1.553) 4.012 9.033 ( -5.182 0.838 2.547) 5.835 9.159 ( -1.390 -1.650 -0.076) 2.159 9.240 ( -1.488 3.019 1.029) 3.519 9.433 ( -1.871 -1.751 1.300) 2.874 9.784 ( 0.335 6.105 1.111) 6.214 9.829 ( 1.008 3.016 0.115) 3.182 10.085 ( 2.992 -3.108 -2.490) 4.981 10.119 ( 4.650 -1.634 -2.598) 5.571 10.305 ( 2.831 0.235 3.126) 4.224 10.411 ( 5.804 -1.676 -0.538) 6.065 11.201 ( -2.029 0.226 1.399) 2.475 11.222 ( -0.535 0.484 -0.265) 0.768 11.330 ( 0.325 3.129 -1.110) 3.336 11.702 ( 4.352 -3.664 -0.518) 5.713 12.030 ( -3.446 1.623 1.138) 3.975 12.185 ( -3.484 -1.935 -0.688) 4.044 12.446 ( 0.876 -0.026 -1.099) 1.406 12.533 ( 1.250 0.302 3.021) 3.283 12.614 ( -1.691 -1.535 -0.878) 2.447 12.705 ( -0.498 -3.000 1.980) 3.629 13.499 ( 0.383 0.758 -2.355) 2.503 13.585 ( 1.312 -1.918 0.928) 2.502 13.691 ( -0.031 1.562 0.937) 1.822 13.841 ( 0.516 -0.002 -0.235) 0.567 13.988 ( 0.755 6.249 1.044) 6.380 14.391 ( 4.221 0.808 -0.301) 4.308 14.614 ( 6.647 3.333 3.782) 8.343 14.736 ( 5.841 -1.314 1.355) 6.139 14.883 ( -6.095 -2.017 5.903) 8.721 15.033 ( -1.229 -2.676 -3.948) 4.926 15.363 ( -16.360 10.599 -1.986) 19.594 16.141 ( 0.459 -5.607 -4.747) 7.361 16.459 ( -0.770 0.203 -0.285) 0.846 16.585 ( -0.810 4.461 -0.032) 4.534 16.637 ( -3.240 -2.426 -2.735) 4.885 17.126 ( -0.555 -6.421 0.002) 6.445 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.222 0.324 -1.237) 1.769 1.223 ( -3.809 6.087 -5.827) 9.247 1.359 ( -5.971 -3.380 -5.409) 8.737 1.507 ( 7.501 0.499 -0.467) 7.532 1.635 ( 4.199 -4.087 -3.757) 6.961 1.807 ( -0.801 5.335 -1.521) 5.606 1.952 ( 1.323 -6.691 3.437) 7.638 1.966 ( -1.457 5.067 -8.320) 9.850 2.145 ( 3.632 0.253 1.605) 3.979 2.184 ( 1.344 0.897 0.279) 1.639 2.277 ( -2.994 1.730 0.474) 3.490 2.407 ( -4.018 1.229 -6.092) 7.400 2.512 ( 4.672 -0.301 4.495) 6.490 2.637 ( 4.089 -2.925 -7.796) 9.276 2.713 ( -3.116 5.617 2.716) 6.974 2.876 ( -2.184 2.791 3.709) 5.130 2.959 ( -2.807 1.649 0.057) 3.256 3.039 ( -0.352 0.414 3.731) 3.771 3.133 ( -1.045 -1.376 -5.509) 5.774 3.181 ( -2.623 -2.731 -1.470) 4.061 3.224 ( 0.147 -1.004 -3.550) 3.692 3.450 ( 3.899 -5.317 -3.382) 7.410 3.596 ( -0.654 -1.497 2.544) 3.024 3.765 ( -2.086 -8.142 -1.521) 8.542 4.003 ( -3.685 1.525 -2.246) 4.577 4.033 ( -1.903 1.222 0.763) 2.387 4.356 ( 1.221 7.039 -1.490) 7.298 4.483 ( 0.284 4.026 1.683) 4.373 4.684 ( 1.683 3.878 2.047) 4.697 4.894 ( 1.644 -6.557 -5.826) 8.924 4.948 ( 1.504 -3.507 -1.703) 4.179 5.023 ( 0.261 -2.905 0.016) 2.917 5.190 ( -0.067 0.376 2.892) 2.917 5.212 ( -2.956 -0.548 2.651) 4.008 5.388 ( 3.758 2.840 3.718) 6.001 5.501 ( 0.952 -0.264 1.458) 1.761 5.701 ( 0.320 3.128 3.869) 4.986 6.038 ( 2.298 -4.165 -1.154) 4.895 6.113 ( -1.952 1.136 -0.413) 2.297 6.196 ( -1.167 -0.186 2.824) 3.062 6.328 ( 1.272 -0.217 -1.665) 2.107 6.452 ( -1.509 -1.235 0.627) 2.048 6.627 ( 3.120 2.607 0.461) 4.092 6.681 ( 2.889 -0.076 -2.277) 3.680 6.729 ( -0.814 0.911 -1.271) 1.763 6.792 ( 5.082 1.131 -0.376) 5.220 6.881 ( -1.814 -0.665 1.226) 2.289 7.058 ( -3.598 1.144 1.295) 3.991 7.065 ( 1.165 -1.679 1.686) 2.650 7.207 ( -0.472 -0.728 -0.038) 0.869 7.228 ( -6.138 0.732 -4.439) 7.610 7.524 ( 3.436 -2.737 -2.968) 5.301 7.659 ( -0.414 0.604 -4.952) 5.006 7.733 ( -2.519 -2.362 -3.219) 4.721 7.927 ( 2.808 -0.035 -1.344) 3.114 8.021 ( -5.900 -0.473 0.405) 5.933 8.382 ( 2.071 -1.124 6.337) 6.761 8.524 ( 4.456 -3.178 7.887) 9.600 8.697 ( 0.736 2.602 0.464) 2.743 8.841 ( -0.324 -0.505 2.169) 2.251 8.997 ( -2.583 1.181 1.693) 3.306 9.139 ( -0.373 -1.699 -0.909) 1.963 9.234 ( -0.957 2.306 1.221) 2.779 9.404 ( -1.850 -1.758 -0.999) 2.741 9.775 ( -1.835 6.429 -0.694) 6.722 9.814 ( -1.067 3.052 -1.860) 3.730 10.067 ( 0.097 -3.093 -4.149) 5.176 10.141 ( 1.711 -1.716 -2.620) 3.569 10.368 ( -0.576 -0.038 4.183) 4.222 10.469 ( 1.361 -1.842 0.857) 2.446 11.182 ( -1.410 0.411 0.710) 1.632 11.228 ( 0.433 -0.232 1.091) 1.197 11.322 ( 0.802 3.543 -1.584) 3.963 11.670 ( -2.396 -3.242 -6.057) 7.276 12.021 ( -0.334 1.793 2.124) 2.800 12.172 ( 1.426 -1.578 1.032) 2.364 12.455 ( 1.386 0.617 -0.494) 1.595 12.570 ( -2.128 0.085 0.643) 2.224 12.621 ( 1.688 -1.792 4.669) 5.278 12.746 ( 0.698 -3.598 4.377) 5.709 13.529 ( 3.196 2.216 2.836) 4.813 13.664 ( 1.987 -1.563 6.306) 6.794 13.767 ( 3.682 -0.081 7.727) 8.559 13.875 ( 2.276 0.432 3.174) 3.930 13.978 ( -2.335 4.775 -0.765) 5.370 14.399 ( -1.381 -1.190 -2.432) 3.039 14.664 ( 2.156 5.569 -3.152) 6.752 14.728 ( -9.750 -5.121 2.378) 11.267 14.802 ( -6.738 -0.504 -2.792) 7.311 15.100 ( -6.082 -1.856 -2.184) 6.724 15.188 ( 12.302 13.203 2.051) 18.162 16.124 ( 4.971 -7.526 -5.311) 10.467 16.439 ( -0.433 0.111 -1.310) 1.384 16.552 ( -0.689 -2.259 -5.024) 5.551 16.578 ( -0.694 5.436 -0.870) 5.548 17.088 ( -1.600 -6.202 -3.450) 7.275 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -4.526 -0.535 -7.235) 8.550 1.126 ( 2.936 1.611 -2.834) 4.387 1.194 ( -9.024 -2.316 -1.651) 9.461 1.553 ( -5.550 4.638 3.281) 7.942 1.599 ( -2.669 -0.574 -16.462) 16.687 1.784 ( 4.286 0.180 -0.613) 4.334 1.849 ( 7.225 1.650 -6.640) 9.951 1.968 ( -1.072 -5.096 -2.483) 5.770 2.136 ( -0.535 2.179 -7.512) 7.840 2.306 ( -2.580 -0.973 2.074) 3.450 2.360 ( 11.911 0.856 6.028) 13.377 2.408 ( 9.387 4.196 8.660) 13.443 2.565 ( 0.374 -2.579 -4.199) 4.942 2.657 ( 5.165 3.515 0.284) 6.255 2.713 ( -0.462 3.393 1.647) 3.800 2.883 ( -0.306 0.450 -0.960) 1.104 2.906 ( -1.336 0.954 -0.704) 1.787 3.030 ( -1.502 -2.157 -4.048) 4.827 3.100 ( -0.300 0.352 -0.804) 0.928 3.125 ( 2.665 -0.868 -4.465) 5.272 3.204 ( 2.997 0.308 -3.832) 4.875 3.456 ( 0.760 -7.074 -2.153) 7.433 3.623 ( 0.643 -2.604 2.870) 3.928 3.737 ( 1.871 -4.776 -3.075) 5.980 3.941 ( 0.288 2.710 -1.414) 3.070 4.025 ( 0.925 2.601 -0.402) 2.789 4.374 ( 3.045 3.024 -1.524) 4.554 4.494 ( -2.106 4.275 3.181) 5.729 4.732 ( 0.740 0.486 -0.686) 1.120 4.860 ( 2.735 -6.110 -2.822) 7.265 4.921 ( -1.967 -2.356 -1.483) 3.409 5.048 ( 1.927 -1.592 -0.686) 2.592 5.155 ( -7.101 0.292 1.826) 7.338 5.210 ( -3.827 0.282 6.274) 7.354 5.490 ( 1.710 -0.047 3.519) 3.912 5.534 ( 0.894 0.900 2.645) 2.934 5.734 ( -2.873 2.991 3.607) 5.496 6.007 ( -4.991 2.038 -2.746) 6.050 6.091 ( 0.064 -5.609 1.831) 5.901 6.195 ( -2.581 -0.964 0.536) 2.807 6.274 ( -3.689 1.086 -2.458) 4.564 6.417 ( -4.781 -0.424 0.326) 4.811 6.630 ( -3.523 0.887 -2.622) 4.481 6.645 ( -7.387 0.449 -0.179) 7.403 6.681 ( -0.659 -0.446 2.752) 2.865 6.798 ( -4.276 -3.841 0.514) 5.771 6.878 ( -0.349 2.834 2.655) 3.899 7.031 ( 0.589 3.757 0.518) 3.838 7.116 ( 3.236 -1.475 -1.258) 3.772 7.154 ( 2.853 0.393 -1.201) 3.120 7.231 ( 2.828 0.948 0.081) 2.984 7.568 ( 4.382 -3.980 -1.975) 6.241 7.582 ( 0.204 0.117 -4.653) 4.659 7.673 ( 1.892 -2.480 -6.392) 7.112 7.893 ( -1.329 1.012 -2.069) 2.659 8.033 ( 1.911 -0.194 2.991) 3.555 8.529 ( 4.490 -1.399 7.257) 8.648 8.619 ( -1.916 -0.937 2.835) 3.548 8.731 ( 0.728 -1.102 1.073) 1.702 8.859 ( 1.305 0.232 1.560) 2.047 9.016 ( 2.627 2.628 2.336) 4.390 9.146 ( 2.068 -1.167 1.729) 2.937 9.234 ( -1.642 0.856 1.649) 2.480 9.359 ( -1.258 -1.329 -2.462) 3.068 9.713 ( -3.795 4.045 -1.778) 5.824 9.776 ( -1.310 4.822 -1.108) 5.118 10.003 ( -2.072 -3.470 -3.869) 5.595 10.107 ( -1.563 -1.728 -3.329) 4.063 10.377 ( -4.136 0.087 3.578) 5.469 10.469 ( -3.489 -1.202 1.862) 4.134 11.178 ( -0.240 0.313 0.438) 0.589 11.256 ( 0.748 -0.903 1.555) 1.947 11.319 ( 0.689 2.812 -0.953) 3.048 11.540 ( -3.749 -1.810 -5.999) 7.302 12.060 ( 2.060 1.985 1.954) 3.465 12.236 ( 5.063 -2.120 0.851) 5.555 12.475 ( 1.398 0.468 0.121) 1.479 12.540 ( -1.280 -0.130 -1.044) 1.657 12.694 ( 0.173 -1.188 4.924) 5.068 12.813 ( 1.103 -3.690 3.876) 5.464 13.649 ( 2.749 3.406 8.185) 9.282 13.754 ( 0.563 -0.094 6.167) 6.193 13.850 ( -5.450 0.855 0.752) 5.568 13.934 ( 1.327 5.112 1.793) 5.578 14.077 ( 7.794 -5.630 15.506) 18.245 14.319 ( -6.060 0.886 0.043) 6.125 14.561 ( -9.987 1.869 -1.199) 10.231 14.595 ( -7.033 5.963 -3.778) 9.965 14.695 ( -1.318 -1.399 -3.249) 3.775 14.932 ( -5.038 -3.412 -7.382) 9.566 15.521 ( 21.232 6.072 3.487) 22.357 16.152 ( 9.543 -7.968 -10.252) 16.114 16.417 ( -0.140 0.719 -1.625) 1.782 16.481 ( -0.036 -0.830 -5.597) 5.658 16.568 ( -0.176 4.790 0.258) 4.800 17.007 ( -1.661 -5.262 -5.462) 7.764 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -16.228 -4.103 -0.859) 16.761 0.971 ( -5.804 -3.450 -9.024) 11.270 1.217 ( 8.974 -2.146 -3.855) 10.000 1.296 ( -4.598 3.023 -19.074) 19.852 1.474 ( -9.953 8.140 2.873) 13.175 1.778 ( -0.433 2.051 -6.163) 6.509 1.890 ( 6.186 -2.086 -3.747) 7.527 2.024 ( 7.305 -1.269 0.705) 7.448 2.097 ( 3.206 2.801 1.247) 4.436 2.311 ( 0.317 1.177 1.133) 1.665 2.504 ( -0.392 -0.185 -3.653) 3.679 2.589 ( 2.207 2.218 5.550) 6.371 2.658 ( 13.339 -2.471 0.524) 13.577 2.711 ( 0.246 0.595 1.164) 1.330 2.768 ( 8.034 2.217 0.999) 8.394 2.855 ( 0.376 0.332 0.479) 0.694 2.912 ( 0.485 -2.800 -0.163) 2.847 2.960 ( -0.324 0.518 -4.763) 4.802 3.051 ( 2.717 1.219 -4.606) 5.485 3.170 ( 6.076 -0.127 -4.780) 7.732 3.214 ( 3.776 0.135 -2.854) 4.735 3.428 ( -2.215 -8.398 0.030) 8.685 3.708 ( 4.396 -0.132 4.763) 6.483 3.764 ( 6.281 -0.304 -1.782) 6.536 3.989 ( 5.034 2.451 1.326) 5.754 4.062 ( 3.449 2.396 0.882) 4.292 4.398 ( 1.672 -0.548 -1.181) 2.120 4.505 ( -1.833 4.852 4.074) 6.595 4.676 ( -0.666 -5.098 -6.266) 8.105 4.865 ( -1.519 -1.901 -3.015) 3.874 4.900 ( 0.193 -2.540 1.638) 3.028 5.040 ( -4.324 1.298 -0.676) 4.565 5.045 ( -4.783 -0.590 -0.117) 4.821 5.234 ( -6.104 -2.267 9.662) 11.651 5.494 ( -2.908 1.258 0.275) 3.180 5.577 ( -1.128 -1.867 1.710) 2.772 5.661 ( -9.152 2.164 0.187) 9.406 5.886 ( -6.234 2.936 -2.156) 7.220 6.012 ( -10.510 -7.177 -5.079) 13.703 6.130 ( -5.368 -3.232 1.282) 6.396 6.246 ( 0.860 1.993 0.356) 2.199 6.339 ( -3.420 1.393 2.212) 4.304 6.521 ( -6.613 1.073 0.838) 6.752 6.579 ( -2.357 1.300 1.513) 3.088 6.692 ( -2.393 -4.297 1.702) 5.205 6.733 ( -4.095 -3.977 0.900) 5.779 6.930 ( 2.309 3.580 3.424) 5.465 7.050 ( 1.206 4.389 -2.066) 4.998 7.151 ( 4.261 -0.486 -1.677) 4.605 7.226 ( 1.891 -0.019 3.986) 4.412 7.304 ( 7.657 2.797 -0.056) 8.153 7.533 ( 1.999 -1.422 -4.817) 5.406 7.630 ( 2.459 0.494 -0.617) 2.583 7.655 ( 6.667 -5.889 -5.769) 10.603 7.872 ( 1.088 2.381 -1.377) 2.958 8.103 ( -0.227 -1.925 6.553) 6.833 8.576 ( -3.273 -1.727 -1.625) 4.041 8.635 ( -0.414 -1.908 3.169) 3.722 8.735 ( -0.697 1.553 3.475) 3.870 8.895 ( 2.034 -1.034 -0.807) 2.421 9.116 ( 5.019 3.818 2.203) 6.680 9.221 ( -1.099 -1.214 1.275) 2.075 9.243 ( 0.796 -0.315 2.718) 2.850 9.334 ( 5.399 -1.241 -0.801) 5.598 9.639 ( -3.454 1.966 -0.478) 4.003 9.748 ( -1.195 5.751 -0.480) 5.894 9.917 ( -3.764 -4.305 -3.066) 6.489 10.022 ( -3.697 -0.546 -3.649) 5.223 10.325 ( -7.123 0.474 2.284) 7.495 10.413 ( -6.582 -0.392 2.247) 6.966 11.173 ( -0.981 -0.958 -0.667) 1.525 11.264 ( -1.059 0.026 -0.091) 1.063 11.329 ( 0.380 0.859 1.794) 2.025 11.456 ( 0.043 -0.926 -2.686) 2.842 12.125 ( 3.552 2.050 1.536) 4.379 12.337 ( 7.164 -3.085 -0.008) 7.800 12.497 ( 0.874 -0.059 0.424) 0.974 12.509 ( -0.219 0.402 -1.815) 1.872 12.746 ( -0.128 -0.714 4.129) 4.193 12.861 ( 0.357 -2.838 2.433) 3.755 13.655 ( -9.918 3.343 -5.376) 11.766 13.754 ( -4.422 0.807 9.825) 10.804 13.895 ( 3.869 3.663 6.138) 8.127 13.991 ( 0.602 -0.376 2.161) 2.275 14.179 ( -7.473 -0.972 1.380) 7.661 14.356 ( -6.208 -1.265 9.294) 11.248 14.418 ( -4.946 2.373 3.338) 6.421 14.540 ( -0.292 0.500 7.873) 7.895 14.611 ( -3.957 -3.408 -2.244) 5.684 14.787 ( 3.013 -2.215 -13.231) 13.749 15.878 ( 20.981 3.949 0.273) 21.351 16.143 ( 13.008 -3.691 -21.185) 25.132 16.393 ( 0.485 1.847 -3.625) 4.097 16.452 ( 0.537 -0.360 1.686) 1.806 16.583 ( -0.154 3.699 3.118) 4.841 16.924 ( -0.489 -3.985 -5.290) 6.641 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -19.829 -3.221 0.627) 20.098 0.703 ( -13.281 4.354 -10.604) 17.544 1.037 ( -2.117 2.261 -12.621) 12.995 1.251 ( -15.996 13.756 -1.144) 21.128 1.426 ( 16.304 -8.541 1.667) 18.481 1.800 ( 4.586 3.010 1.338) 5.646 1.943 ( 4.651 -6.482 -2.320) 8.308 2.099 ( 2.853 -0.703 3.231) 4.367 2.237 ( 6.446 0.929 2.492) 6.973 2.328 ( 3.016 3.491 -2.184) 5.104 2.462 ( 0.727 2.359 -3.626) 4.386 2.612 ( -1.485 1.232 -3.467) 3.968 2.650 ( 0.213 -4.014 -3.083) 5.066 2.757 ( 2.452 -0.074 -2.450) 3.467 2.856 ( -1.738 -2.293 -1.112) 3.084 2.903 ( 4.475 1.160 -1.163) 4.767 2.968 ( 3.635 2.195 4.292) 6.037 2.991 ( 6.774 -1.218 0.331) 6.890 3.113 ( 8.104 0.048 -2.312) 8.428 3.180 ( 2.188 -0.672 -1.300) 2.632 3.262 ( 6.475 0.654 -3.255) 7.276 3.417 ( 0.601 -6.710 2.310) 7.122 3.801 ( 2.282 5.987 1.090) 6.500 3.907 ( 7.827 0.115 4.689) 9.125 4.093 ( 3.829 1.110 1.061) 4.125 4.145 ( 5.007 1.365 3.904) 6.494 4.401 ( 1.030 -1.624 -1.033) 2.183 4.516 ( -1.788 3.023 1.032) 3.661 4.611 ( 0.394 -5.389 -2.804) 6.088 4.812 ( 0.724 -1.104 -4.474) 4.665 4.859 ( -6.854 -0.609 0.302) 6.887 4.918 ( -6.122 0.940 -0.692) 6.233 5.031 ( -0.689 -3.106 -0.474) 3.216 5.210 ( -10.897 -4.254 7.200) 13.736 5.419 ( -5.129 1.559 -1.899) 5.687 5.457 ( -12.016 -0.145 -0.239) 12.020 5.566 ( -2.889 -1.115 -2.400) 3.918 5.722 ( -13.970 -7.560 -1.824) 15.989 5.813 ( -6.070 0.268 -3.781) 7.157 6.018 ( -8.507 -2.285 0.352) 8.815 6.280 ( 3.364 1.443 -1.465) 3.943 6.355 ( -0.166 -0.348 1.825) 1.865 6.461 ( -2.011 0.461 0.673) 2.170 6.614 ( 2.089 2.405 3.594) 4.803 6.633 ( -4.968 -2.822 0.379) 5.726 6.721 ( -0.058 -3.433 0.400) 3.457 6.995 ( 0.196 2.350 0.053) 2.359 7.012 ( -0.416 2.894 -1.144) 3.139 7.197 ( 3.533 -1.118 -0.556) 3.747 7.285 ( 2.187 1.479 -1.016) 2.829 7.444 ( 6.898 0.311 3.194) 7.608 7.540 ( 4.708 0.791 -1.854) 5.121 7.644 ( 1.062 -0.240 -0.880) 1.400 7.725 ( 6.065 -2.768 -0.290) 6.674 7.889 ( 2.522 2.735 -0.821) 3.809 8.193 ( -1.943 -3.536 13.254) 13.855 8.499 ( -2.921 -4.100 -3.431) 6.092 8.619 ( -2.171 -0.493 0.725) 2.341 8.787 ( -0.662 -0.803 2.899) 3.080 8.918 ( 2.888 -2.203 -1.256) 3.843 9.122 ( -4.526 1.761 0.102) 4.858 9.181 ( -5.056 0.305 0.759) 5.121 9.308 ( 7.558 2.188 1.230) 7.964 9.512 ( 11.233 -1.508 2.461) 11.598 9.611 ( -1.357 0.349 1.574) 2.107 9.707 ( -4.019 3.238 -1.763) 5.454 9.832 ( -1.275 -0.129 -1.507) 1.978 9.933 ( -2.620 0.407 -2.250) 3.477 10.215 ( -9.417 1.067 0.740) 9.506 10.332 ( -6.751 0.097 1.896) 7.013 11.119 ( -3.039 -0.762 -2.015) 3.725 11.260 ( 0.015 -0.674 1.165) 1.346 11.359 ( -1.075 -1.850 3.563) 4.157 11.461 ( 2.087 -0.728 -0.744) 2.332 12.201 ( 3.932 1.841 1.406) 4.563 12.443 ( 7.031 -3.979 -1.456) 8.209 12.485 ( 0.874 0.675 -1.954) 2.245 12.519 ( 0.849 -0.625 0.359) 1.114 12.790 ( -0.139 -0.021 3.718) 3.721 12.883 ( -0.516 -1.378 1.643) 2.206 13.417 ( -11.174 2.652 -5.463) 12.718 13.765 ( -7.330 -1.739 6.321) 9.835 13.884 ( -11.670 -7.679 -2.884) 14.265 14.006 ( -1.653 1.868 1.963) 3.174 14.130 ( 0.132 0.651 0.923) 1.137 14.268 ( -7.667 -0.420 1.753) 7.876 14.415 ( -5.532 -3.456 -2.666) 7.047 14.445 ( -4.431 -0.618 4.443) 6.305 14.671 ( 3.536 0.137 -6.293) 7.219 14.841 ( 4.436 -5.512 13.641) 15.367 16.025 ( 18.054 11.450 -25.426) 33.220 16.207 ( 15.224 1.466 -3.945) 15.795 16.366 ( 1.387 3.436 -2.236) 4.328 16.513 ( 3.674 0.250 1.595) 4.013 16.655 ( 0.056 2.240 10.653) 10.887 16.879 ( 1.207 -2.651 -3.096) 4.251 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -5.058 12.464 7.313) 15.311 0.452 ( -6.535 12.818 6.862) 15.940 0.970 ( -3.195 3.873 3.910) 6.363 1.040 ( -13.819 17.396 12.863) 25.672 1.725 ( 18.193 -13.402 0.486) 22.602 1.869 ( 0.917 -1.622 2.482) 3.103 1.968 ( 1.014 -7.039 -1.502) 7.269 2.169 ( 2.333 -1.215 -0.919) 2.786 2.266 ( -3.994 2.641 2.078) 5.219 2.370 ( 3.529 -2.841 -3.218) 5.557 2.428 ( 5.047 4.552 -10.467) 12.480 2.568 ( 6.308 4.347 -4.870) 9.078 2.617 ( -0.718 -11.052 -2.111) 11.274 2.798 ( -0.995 -6.978 0.810) 7.095 2.845 ( 6.106 7.155 -3.799) 10.145 2.925 ( -1.419 1.900 -2.081) 3.155 3.028 ( 2.985 -1.186 7.832) 8.465 3.092 ( 5.788 5.151 -0.266) 7.753 3.152 ( 2.261 2.894 -0.167) 3.676 3.201 ( 0.113 1.304 1.376) 1.899 3.354 ( 5.102 1.365 0.461) 5.301 3.526 ( 7.346 -3.204 4.088) 8.997 3.817 ( -1.906 7.045 2.677) 7.774 4.003 ( -4.596 3.128 2.947) 6.292 4.085 ( -4.865 -2.585 1.550) 5.723 4.319 ( 9.584 -2.548 3.798) 10.620 4.415 ( 3.665 -0.317 -2.730) 4.580 4.499 ( 0.192 -2.015 -1.193) 2.350 4.616 ( -1.452 -0.507 3.941) 4.230 4.732 ( -5.861 -2.860 -2.515) 6.990 4.790 ( -0.186 0.713 -2.910) 3.002 4.825 ( -4.463 0.894 -2.585) 5.234 4.990 ( -4.208 -5.938 0.859) 7.329 5.065 ( -14.861 -7.143 0.756) 16.506 5.299 ( -7.735 0.109 0.229) 7.739 5.309 ( -6.894 -0.933 -3.167) 7.644 5.411 ( -12.530 -0.772 -5.680) 13.779 5.503 ( -2.511 -0.549 -1.387) 2.920 5.723 ( -3.133 3.118 0.151) 4.423 5.924 ( -3.869 -1.326 0.493) 4.120 6.287 ( 1.123 1.126 -3.513) 3.856 6.368 ( 0.652 -0.987 0.015) 1.183 6.464 ( 1.072 1.024 -0.184) 1.494 6.566 ( -3.045 -2.411 -1.134) 4.046 6.665 ( 1.744 1.976 -1.998) 3.307 6.730 ( 0.447 -2.583 0.321) 2.641 6.943 ( -0.131 1.913 -3.026) 3.582 7.027 ( -1.161 1.097 0.969) 1.868 7.235 ( 1.243 -1.864 -2.183) 3.128 7.279 ( 2.726 -0.501 -1.162) 3.005 7.568 ( 3.446 1.789 3.646) 5.326 7.618 ( 3.709 0.499 0.807) 3.828 7.634 ( -1.366 0.168 1.808) 2.272 7.802 ( 2.903 3.327 -1.411) 4.635 7.920 ( 2.747 -1.243 -1.103) 3.210 8.344 ( -13.663 -15.876 7.785) 22.346 8.421 ( 6.263 2.024 6.038) 8.932 8.576 ( -5.364 2.057 -1.126) 5.855 8.756 ( 2.858 -3.896 -3.873) 6.192 8.900 ( -2.908 -3.398 -3.556) 5.714 9.074 ( -3.124 2.970 3.928) 5.831 9.190 ( 2.802 0.329 3.337) 4.370 9.444 ( 2.764 0.849 7.009) 7.582 9.495 ( -9.267 -0.150 -2.961) 9.729 9.691 ( 7.945 -0.652 1.731) 8.157 9.723 ( 6.962 0.736 0.696) 7.035 9.860 ( 2.227 1.361 1.213) 2.878 9.892 ( -0.346 0.847 -1.378) 1.655 10.060 ( -10.267 1.705 -0.528) 10.421 10.267 ( -2.465 0.189 0.012) 2.472 11.068 ( -1.083 0.246 -0.439) 1.195 11.266 ( -3.275 -5.205 1.622) 6.360 11.359 ( -3.984 -1.879 2.068) 4.866 11.478 ( 1.230 -0.769 -0.943) 1.730 12.272 ( 2.640 0.797 1.837) 3.314 12.468 ( 1.517 1.006 -2.166) 2.830 12.531 ( 5.730 -5.285 -2.612) 8.221 12.534 ( 0.582 -0.481 0.288) 0.808 12.821 ( -0.669 0.874 1.515) 1.873 12.882 ( -1.544 -0.628 -0.041) 1.667 13.236 ( -5.715 0.938 -0.829) 5.850 13.392 ( -30.235 -13.677 -10.076) 34.681 13.756 ( -1.746 5.852 -0.652) 6.142 13.978 ( -0.750 1.599 -1.297) 2.191 14.120 ( -3.691 -2.160 -2.105) 4.766 14.192 ( 0.841 3.524 -2.538) 4.423 14.354 ( -1.775 -3.758 3.724) 5.581 14.427 ( -3.642 1.638 -0.087) 3.995 14.658 ( 2.162 1.111 -3.360) 4.147 15.047 ( -1.807 -7.321 16.915) 18.520 16.103 ( 19.240 14.885 -10.291) 26.413 16.302 ( 4.535 0.431 -4.163) 6.171 16.403 ( 6.359 5.912 -4.675) 9.862 16.594 ( 3.961 2.445 2.213) 5.155 16.825 ( 3.863 -3.965 4.332) 7.030 16.942 ( 6.328 -1.935 12.621) 14.251 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 5.267 12.674 10.397) 17.218 0.962 ( -1.166 4.715 7.147) 8.641 1.126 ( 9.093 6.183 14.885) 18.506 1.408 ( 1.419 -2.242 14.049) 14.297 1.628 ( -6.170 4.829 3.041) 8.405 1.830 ( -0.809 -3.378 -0.198) 3.480 1.897 ( 4.451 -0.633 0.050) 4.496 2.068 ( -2.239 -13.324 -0.164) 13.512 2.204 ( -2.093 2.284 -3.464) 4.647 2.304 ( 1.917 -7.434 2.414) 8.048 2.396 ( 1.469 3.973 -0.193) 4.240 2.467 ( 3.793 -2.171 -0.878) 4.457 2.645 ( 2.410 -0.123 2.087) 3.191 2.681 ( 2.121 -2.490 -4.024) 5.186 2.923 ( -2.822 2.568 1.280) 4.024 2.951 ( -3.367 -0.205 2.940) 4.474 3.068 ( 2.055 5.026 -4.986) 7.371 3.169 ( 1.192 -4.333 -1.540) 4.750 3.288 ( 1.178 2.863 1.049) 3.269 3.331 ( -1.244 -0.245 -2.910) 3.174 3.617 ( 13.823 2.434 5.328) 15.013 3.650 ( 5.335 -0.504 6.751) 8.620 3.830 ( -7.302 0.669 2.152) 7.641 3.868 ( -14.276 -3.166 5.266) 15.542 4.115 ( -1.296 9.165 -2.442) 9.573 4.269 ( -3.932 -5.625 -4.651) 8.291 4.431 ( 0.104 1.151 0.148) 1.165 4.464 ( 1.818 -1.254 0.554) 2.277 4.560 ( -5.020 0.935 -2.403) 5.644 4.633 ( -1.625 -5.169 -0.285) 5.426 4.770 ( 5.604 2.702 0.340) 6.230 4.804 ( 3.371 -0.132 -0.587) 3.425 4.893 ( -2.689 0.796 2.019) 3.456 4.916 ( -0.944 -1.170 1.355) 2.023 5.217 ( -0.901 0.800 -1.717) 2.097 5.241 ( -0.838 -1.399 -0.494) 1.703 5.433 ( 4.369 2.604 -1.464) 5.292 5.471 ( 3.503 -1.249 -0.925) 3.832 5.777 ( 0.036 4.026 0.610) 4.072 5.859 ( 0.624 -3.484 0.885) 3.648 6.274 ( -0.008 2.121 -5.661) 6.046 6.324 ( -0.398 -2.354 -4.168) 4.804 6.458 ( -2.216 0.416 -1.502) 2.709 6.479 ( -1.171 -1.477 -1.000) 2.134 6.667 ( -0.401 1.243 -1.061) 1.683 6.692 ( -0.010 -1.335 0.568) 1.451 6.954 ( 1.728 1.824 -3.726) 4.494 6.991 ( 0.101 -1.261 -2.987) 3.244 7.236 ( 1.167 1.379 0.505) 1.875 7.288 ( 1.585 -3.129 1.192) 3.705 7.632 ( -0.251 2.144 0.149) 2.163 7.667 ( 1.148 -1.703 2.772) 3.450 7.713 ( -1.370 3.619 4.537) 5.963 7.791 ( -2.253 -3.388 0.768) 4.140 7.924 ( -2.707 5.785 -4.211) 7.650 8.043 ( -5.749 -4.483 -2.270) 7.635 8.561 ( -2.753 2.764 -1.303) 4.113 8.598 ( -0.547 -0.347 0.275) 0.704 8.722 ( 5.582 -0.350 -0.314) 5.602 8.782 ( 6.388 -4.782 0.673) 8.008 9.148 ( -2.771 2.314 5.278) 6.394 9.188 ( -4.753 -1.481 3.551) 6.115 9.461 ( 1.985 3.790 0.687) 4.333 9.527 ( 2.141 -2.291 2.543) 4.037 9.755 ( -2.239 0.688 0.382) 2.373 9.786 ( -3.642 -1.830 -0.884) 4.170 9.865 ( -0.410 0.563 0.186) 0.721 9.877 ( 2.721 -0.270 0.054) 2.735 10.020 ( -0.657 4.451 -1.218) 4.662 10.126 ( -2.176 -5.190 -2.310) 6.083 11.098 ( 1.028 1.341 1.125) 2.030 11.133 ( -0.618 -1.890 0.794) 2.141 11.402 ( 0.011 3.124 -0.555) 3.173 11.455 ( 0.514 -1.887 -1.004) 2.198 12.341 ( 0.223 3.369 -0.311) 3.390 12.438 ( 1.565 -5.702 -1.658) 6.141 12.501 ( 1.602 1.873 -2.501) 3.511 12.534 ( 0.860 -0.922 -1.023) 1.624 12.757 ( -4.735 -0.112 -4.253) 6.366 12.770 ( -4.119 -1.214 -1.958) 4.720 13.253 ( 5.421 1.404 7.780) 9.586 13.272 ( 5.221 -0.158 6.695) 8.492 13.865 ( 1.345 4.771 -2.265) 5.450 13.948 ( 1.795 -3.427 -4.987) 6.312 14.083 ( -1.050 6.929 0.597) 7.033 14.242 ( -0.586 -7.064 1.724) 7.295 14.281 ( -0.708 4.705 -1.132) 4.890 14.389 ( -2.002 -4.482 1.124) 5.036 14.752 ( -2.224 9.668 2.747) 10.294 14.972 ( -3.613 -10.886 10.993) 15.887 16.296 ( 3.805 1.723 -3.167) 5.242 16.319 ( 3.474 -0.334 -4.058) 5.352 16.567 ( 2.226 8.293 -2.678) 8.995 16.722 ( 3.541 -3.522 2.055) 5.400 16.786 ( -2.885 2.232 0.935) 3.765 16.926 ( -4.739 -8.443 5.307) 11.041 ======================= Grid point 76 (40/108) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -4.729 11.692 11.088) 16.793 1.043 ( 4.439 8.370 7.878) 12.322 1.350 ( 0.561 -3.023 7.754) 8.341 1.503 ( -5.099 -13.208 7.406) 15.978 1.666 ( -1.332 12.232 15.421) 19.728 1.886 ( 0.748 -5.658 9.834) 11.370 1.948 ( 2.812 -0.139 -3.884) 4.797 2.020 ( 0.079 -5.126 -6.120) 7.984 2.170 ( 1.348 8.223 2.288) 8.641 2.365 ( 5.834 -5.697 -3.249) 8.778 2.473 ( 4.828 1.340 4.230) 6.558 2.530 ( 2.504 -3.895 2.642) 5.332 2.657 ( 0.777 2.702 -6.279) 6.880 2.708 ( 1.913 -2.667 0.202) 3.288 2.889 ( -6.631 5.076 2.923) 8.848 2.932 ( -1.980 -0.388 1.569) 2.556 3.014 ( -1.923 -1.412 -0.396) 2.418 3.050 ( -10.852 -4.584 -4.552) 12.629 3.259 ( -3.836 2.010 1.281) 4.516 3.290 ( -1.827 -0.226 0.726) 1.979 3.586 ( -14.382 2.929 5.006) 15.508 3.667 ( -16.799 -3.978 6.201) 18.344 3.883 ( 5.343 1.188 -0.033) 5.473 3.896 ( 6.585 0.151 -0.881) 6.645 4.086 ( 2.422 2.493 0.565) 3.522 4.138 ( -4.089 -2.230 -1.639) 4.938 4.390 ( -1.864 2.712 -4.338) 5.445 4.450 ( 1.845 -2.766 -2.900) 4.412 4.553 ( 2.981 3.171 1.677) 4.664 4.659 ( 4.429 -5.995 0.214) 7.457 4.854 ( 1.734 3.308 -1.189) 3.919 4.886 ( -0.770 1.058 2.103) 2.477 4.918 ( 7.880 -1.207 1.368) 8.088 4.939 ( 1.809 -1.972 2.897) 3.944 5.234 ( 7.577 0.099 -3.640) 8.407 5.255 ( 5.832 -2.038 -2.835) 6.797 5.514 ( 6.882 2.703 -1.041) 7.467 5.559 ( 7.843 -1.577 -0.485) 8.015 5.821 ( 4.121 4.328 1.361) 6.129 5.917 ( 4.912 -4.475 1.409) 6.792 6.206 ( 1.867 1.889 -7.245) 7.716 6.256 ( 1.333 -2.796 -7.138) 7.781 6.408 ( -2.600 0.515 -0.392) 2.680 6.424 ( -3.611 -0.918 -0.978) 3.851 6.660 ( -0.678 1.445 0.897) 1.831 6.690 ( -1.062 -1.335 0.682) 1.838 6.950 ( 2.890 1.880 -3.943) 5.237 6.987 ( 3.749 -1.310 -2.825) 4.874 7.241 ( -1.060 1.301 0.090) 1.681 7.282 ( -2.308 -1.988 -1.316) 3.318 7.631 ( -2.574 6.045 0.398) 6.583 7.698 ( -3.261 1.264 2.945) 4.572 7.724 ( -0.141 -1.699 4.717) 5.016 7.766 ( -3.630 -2.760 3.300) 5.629 7.856 ( -0.533 2.762 -2.172) 3.554 7.942 ( -2.623 -4.662 -3.357) 6.316 8.535 ( 1.112 0.567 -0.983) 1.589 8.546 ( -1.196 -0.540 -2.373) 2.712 8.799 ( 1.181 2.041 -0.021) 2.359 8.871 ( 2.546 -4.233 -0.417) 4.957 9.176 ( -2.283 1.092 5.612) 6.156 9.190 ( -0.239 -0.199 5.943) 5.951 9.529 ( -0.354 4.558 2.954) 5.443 9.584 ( -0.221 0.259 1.006) 1.062 9.621 ( -11.993 -0.580 -1.318) 12.079 9.679 ( -0.565 -4.681 0.626) 4.756 9.878 ( 0.071 2.477 0.517) 2.531 9.920 ( 1.714 -1.165 0.212) 2.084 10.061 ( 8.091 2.656 -3.166) 9.085 10.118 ( 5.987 -2.445 -4.069) 7.640 11.147 ( 2.370 0.416 2.137) 3.218 11.161 ( 2.810 -0.781 0.935) 3.063 11.388 ( -0.651 2.950 -0.760) 3.116 11.441 ( -0.403 -1.959 -1.310) 2.391 12.311 ( -3.464 3.714 -0.380) 5.093 12.409 ( -3.063 -5.305 -1.548) 6.319 12.485 ( 0.875 1.587 -2.954) 3.466 12.524 ( 0.308 -1.580 -2.152) 2.688 12.678 ( -0.896 0.462 -2.224) 2.442 12.714 ( -0.771 -2.531 -1.453) 3.019 13.465 ( 7.983 1.465 5.171) 9.624 13.473 ( 8.866 0.803 6.180) 10.837 13.898 ( 4.070 2.050 -1.458) 4.785 13.928 ( 2.372 -0.613 -2.221) 3.307 14.056 ( 0.078 6.296 -3.935) 7.425 14.183 ( -3.578 -4.980 -6.908) 9.237 14.307 ( 3.137 3.986 4.321) 6.664 14.433 ( 0.941 -7.836 8.538) 11.626 14.721 ( -3.284 14.007 -0.286) 14.390 15.013 ( -4.974 -13.347 6.942) 15.845 16.279 ( -0.792 2.515 -5.537) 6.133 16.309 ( 1.087 -0.487 -4.120) 4.289 16.544 ( -3.938 9.308 2.024) 10.307 16.735 ( -4.737 0.244 0.869) 4.822 16.773 ( -3.580 -5.159 5.415) 8.291 16.880 ( -4.903 -6.600 3.887) 9.095 ======================= Grid point 77 (41/108) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -5.424 9.104 12.527) 16.408 1.167 ( -2.142 -3.452 7.268) 8.326 1.405 ( 3.198 6.002 4.536) 8.175 1.561 ( 2.268 -5.591 1.273) 6.167 1.793 ( -1.014 3.838 6.325) 7.468 1.905 ( -1.372 -4.977 -0.815) 5.227 1.950 ( -2.096 -0.480 -0.312) 2.172 1.988 ( -3.645 -3.413 7.024) 8.618 2.273 ( 1.792 7.408 2.873) 8.145 2.383 ( -1.637 0.385 -4.209) 4.533 2.466 ( 0.540 3.821 -12.081) 12.682 2.552 ( -0.258 -1.552 -4.712) 4.968 2.618 ( 0.062 1.516 -2.518) 2.940 2.699 ( 0.863 -5.978 8.674) 10.569 2.827 ( -5.085 1.407 3.099) 6.119 2.850 ( -9.093 -1.151 1.576) 9.300 2.980 ( 1.457 -0.529 4.513) 4.772 3.025 ( -1.290 -3.614 3.204) 4.999 3.227 ( -2.843 2.226 1.486) 3.904 3.270 ( -1.933 -1.453 0.348) 2.443 3.425 ( -10.593 2.515 1.058) 10.939 3.485 ( -13.100 -2.668 3.075) 13.718 3.791 ( -9.970 2.498 -0.740) 10.305 3.856 ( -7.494 -2.991 0.512) 8.085 4.149 ( -0.394 2.483 2.593) 3.611 4.183 ( 0.935 -0.457 2.045) 2.294 4.366 ( 5.962 5.022 -2.982) 8.346 4.494 ( 10.133 -6.833 -4.372) 12.980 4.602 ( -0.006 4.951 1.923) 5.312 4.729 ( 2.428 -6.534 1.131) 7.062 4.855 ( 1.298 4.064 -1.696) 4.591 4.921 ( 3.311 -0.895 0.846) 3.533 5.000 ( 2.108 -1.323 0.798) 2.614 5.009 ( 2.536 -1.261 2.867) 4.030 5.333 ( 9.123 -0.422 -4.813) 10.323 5.347 ( 8.867 -1.499 -2.782) 9.413 5.601 ( 7.469 4.574 -2.874) 9.218 5.694 ( 11.425 -4.063 -2.023) 12.294 5.926 ( 6.516 4.140 2.028) 7.982 6.027 ( 7.049 -5.193 1.016) 8.814 6.191 ( 6.352 2.212 -5.035) 8.402 6.237 ( 5.665 -2.090 -4.638) 7.614 6.369 ( -1.041 0.507 -0.448) 1.242 6.381 ( 0.276 -0.644 -0.927) 1.162 6.663 ( -0.536 0.800 1.445) 1.737 6.689 ( -0.262 -1.548 1.276) 2.023 6.941 ( 1.127 3.801 -3.086) 5.023 7.013 ( 3.011 -2.703 -2.624) 4.823 7.202 ( -3.364 2.030 -1.475) 4.196 7.228 ( -2.318 -1.128 0.594) 2.646 7.558 ( -6.149 6.497 1.128) 9.016 7.685 ( -5.718 -3.820 2.479) 7.310 7.730 ( -2.994 0.561 2.240) 3.781 7.775 ( -0.429 -3.838 3.437) 5.170 7.853 ( 0.711 1.863 0.504) 2.057 7.907 ( 0.808 -3.126 -0.535) 3.272 8.521 ( 0.695 1.379 -1.798) 2.370 8.561 ( 2.361 -2.283 0.008) 3.285 8.759 ( -2.991 4.083 -2.985) 5.876 8.851 ( -1.797 -4.163 -3.002) 5.438 9.218 ( -1.974 0.991 3.978) 4.550 9.238 ( -3.001 -0.935 3.175) 4.468 9.389 ( -11.003 2.749 0.288) 11.345 9.429 ( -9.026 -1.289 0.535) 9.134 9.689 ( 6.011 4.118 4.405) 8.514 9.790 ( 7.003 -4.908 3.592) 9.276 9.882 ( 0.835 4.269 -0.062) 4.351 9.959 ( 3.455 -2.785 -0.506) 4.466 10.157 ( 8.290 1.637 -2.766) 8.891 10.190 ( 8.387 -1.407 -3.268) 9.110 11.203 ( 1.867 1.059 1.460) 2.596 11.227 ( 2.361 -1.030 1.714) 3.094 11.375 ( 0.412 2.726 -0.481) 2.798 11.431 ( 1.561 -2.497 -0.467) 2.982 12.235 ( -5.280 3.479 -0.706) 6.362 12.318 ( -5.398 -4.063 -2.048) 7.060 12.467 ( 0.712 0.858 -2.255) 2.516 12.503 ( 0.685 -1.998 -2.407) 3.202 12.653 ( -0.905 0.686 -0.518) 1.248 12.692 ( -0.718 -2.606 -1.098) 2.917 13.567 ( 3.042 2.744 -0.579) 4.137 13.619 ( 3.656 -2.071 -0.781) 4.274 13.836 ( -2.402 4.859 -6.226) 8.254 13.932 ( -2.560 -3.527 -7.128) 8.355 14.074 ( 1.105 4.067 0.327) 4.227 14.135 ( 8.619 -0.119 5.563) 10.259 14.457 ( 6.654 4.302 5.759) 9.795 14.576 ( 2.894 -6.902 8.286) 11.166 14.666 ( -0.697 13.720 -1.364) 13.805 14.980 ( -5.316 -14.686 1.300) 15.672 16.131 ( -9.367 7.321 -5.435) 13.072 16.239 ( -3.714 -3.224 -4.561) 6.707 16.519 ( -3.520 5.433 3.509) 7.364 16.657 ( -7.470 -5.804 2.925) 9.902 16.762 ( -3.305 4.136 3.806) 6.520 16.903 ( 0.186 -7.354 3.803) 8.281 ======================= Grid point 78 (42/108) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.198 4.191 8.439) 9.498 1.202 ( -3.970 -4.817 8.117) 10.240 1.485 ( 0.161 9.525 -0.832) 9.562 1.610 ( 4.960 1.135 0.816) 5.154 1.782 ( -2.268 -0.911 -1.255) 2.748 1.841 ( -5.906 -4.953 -2.133) 7.998 1.923 ( -7.394 3.619 -1.776) 8.421 1.991 ( 1.494 -4.568 3.627) 6.021 2.183 ( -0.697 1.956 -5.541) 5.917 2.258 ( -4.299 -1.865 -5.173) 6.980 2.416 ( 0.065 1.120 -4.243) 4.389 2.462 ( 0.798 -2.042 -5.589) 6.004 2.684 ( -1.247 6.203 5.405) 8.322 2.735 ( -6.512 2.254 -0.752) 6.932 2.791 ( -2.304 -1.301 3.844) 4.666 2.829 ( 0.604 -1.718 5.470) 5.765 3.019 ( -3.781 -0.056 2.824) 4.720 3.042 ( 0.528 -1.907 2.767) 3.402 3.211 ( -1.370 0.645 1.443) 2.092 3.237 ( -2.098 -1.629 -0.190) 2.663 3.291 ( -6.465 1.721 -1.673) 6.897 3.359 ( -5.531 -3.780 0.237) 6.704 3.659 ( -8.139 2.717 2.647) 8.980 3.753 ( -8.004 -6.027 3.001) 10.459 4.120 ( -4.308 3.224 0.764) 5.435 4.157 ( -4.615 -0.391 0.498) 4.659 4.460 ( 6.401 6.654 0.185) 9.235 4.591 ( -1.033 3.013 0.877) 3.304 4.643 ( 10.128 -3.722 -2.369) 11.047 4.759 ( 2.311 -5.954 -1.457) 6.551 4.846 ( -0.755 3.807 -0.718) 3.947 4.956 ( 0.241 -5.075 -0.524) 5.108 5.061 ( 4.374 1.529 1.776) 4.962 5.092 ( 3.672 -1.377 2.579) 4.693 5.377 ( 3.884 1.240 -3.677) 5.490 5.416 ( 3.711 -2.177 -1.791) 4.661 5.679 ( 6.930 6.550 -2.892) 9.964 5.824 ( 8.239 -6.996 -2.820) 11.170 6.050 ( 5.967 3.454 1.677) 7.095 6.131 ( 4.095 -3.998 0.479) 5.743 6.270 ( 4.710 2.287 -1.517) 5.451 6.301 ( 8.856 -0.545 -1.178) 8.951 6.417 ( 7.480 0.269 -1.550) 7.644 6.436 ( 11.242 -1.213 -1.699) 11.435 6.683 ( 1.116 1.138 1.473) 2.171 6.718 ( 1.802 -2.177 2.031) 3.480 6.910 ( -1.468 4.816 -1.779) 5.340 7.008 ( -0.184 -4.083 -1.912) 4.513 7.146 ( -2.225 4.032 0.194) 4.609 7.215 ( -1.696 -2.570 1.954) 3.647 7.480 ( -6.202 4.864 1.514) 8.026 7.597 ( -5.957 -5.512 -0.843) 8.159 7.722 ( -1.979 2.548 2.233) 3.923 7.791 ( -2.514 -4.099 2.889) 5.610 7.874 ( 1.495 2.514 0.311) 2.942 7.934 ( 1.033 -3.325 2.584) 4.336 8.496 ( -2.754 2.041 -1.849) 3.895 8.546 ( -5.435 -2.364 -2.231) 6.333 8.704 ( 2.523 2.708 -1.680) 4.065 8.769 ( -1.923 -2.897 -4.095) 5.372 9.144 ( -8.097 1.072 0.547) 8.186 9.168 ( -5.468 -1.164 0.685) 5.632 9.323 ( -2.326 3.593 2.626) 5.021 9.388 ( -1.869 -2.566 2.792) 4.228 9.827 ( 4.777 4.969 4.126) 8.034 9.904 ( 1.924 5.476 -0.023) 5.804 9.932 ( 5.580 -4.684 2.916) 7.848 10.009 ( 4.259 -4.034 -1.338) 6.017 10.245 ( 6.217 1.629 -1.157) 6.530 10.283 ( 7.143 -1.815 -1.674) 7.558 11.224 ( -1.030 1.086 1.050) 1.829 11.243 ( -1.510 -0.579 0.627) 1.735 11.400 ( 3.092 4.340 -0.412) 5.345 11.500 ( 5.978 -4.740 1.133) 7.713 12.143 ( -5.165 2.939 -0.734) 5.987 12.211 ( -5.177 -3.374 -1.746) 6.422 12.455 ( 0.740 1.027 -1.467) 1.938 12.492 ( 1.130 -2.018 -1.496) 2.754 12.631 ( -2.057 0.512 0.533) 2.185 12.662 ( -1.820 -2.210 -0.298) 2.879 13.569 ( 0.140 0.828 -3.744) 3.837 13.578 ( -0.531 -0.119 -5.522) 5.549 13.757 ( -1.696 0.973 -3.230) 3.776 13.797 ( -2.293 -2.904 -2.689) 4.574 14.162 ( 3.028 10.868 4.341) 12.089 14.344 ( 7.160 -4.270 7.323) 11.096 14.531 ( -0.840 8.781 -1.551) 8.957 14.668 ( 3.811 -0.778 2.227) 4.482 14.770 ( 6.031 0.312 5.727) 8.323 14.916 ( -0.916 -10.914 -0.747) 10.978 15.895 ( -13.398 11.199 -3.931) 17.899 16.099 ( -6.902 -7.682 -4.481) 11.257 16.505 ( -2.178 2.991 1.320) 3.929 16.591 ( -4.507 -4.916 1.341) 6.803 16.760 ( -1.587 7.787 1.945) 8.181 16.943 ( -0.260 -8.879 2.662) 9.273 ======================= Grid point 79 (43/108) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -1.640 0.597 1.393) 2.233 1.223 ( 1.474 -2.898 2.177) 3.913 1.472 ( 1.320 10.385 -1.356) 10.556 1.611 ( -3.290 -1.900 -4.745) 6.079 1.658 ( -8.107 1.493 -5.260) 9.778 1.741 ( -0.777 -8.391 0.869) 8.472 1.890 ( 5.022 7.558 -0.871) 9.116 2.053 ( 2.764 -7.161 -1.263) 7.779 2.147 ( 0.814 5.187 0.110) 5.251 2.233 ( -0.919 1.079 3.931) 4.179 2.353 ( -1.465 -2.149 -7.652) 8.082 2.378 ( -1.977 -1.646 -0.682) 2.661 2.608 ( -4.087 3.008 -5.822) 7.723 2.645 ( -1.970 -0.962 -5.642) 6.053 2.826 ( -2.323 4.604 6.746) 8.491 2.890 ( -3.107 -0.712 7.870) 8.491 2.993 ( -3.020 2.054 1.559) 3.971 3.069 ( 1.537 -1.964 -0.883) 2.645 3.172 ( -3.483 -0.265 -2.951) 4.573 3.186 ( -1.065 -0.954 -3.795) 4.056 3.231 ( -0.915 1.186 0.989) 1.795 3.321 ( 1.412 -5.623 -1.874) 6.093 3.596 ( -5.705 1.744 4.141) 7.262 3.675 ( -6.836 -5.854 2.904) 9.457 4.070 ( -3.188 1.231 1.082) 3.584 4.086 ( -4.483 -0.395 0.098) 4.501 4.540 ( 2.416 7.665 0.524) 8.054 4.567 ( 0.150 6.181 -1.552) 6.375 4.743 ( 4.796 -3.010 -2.296) 6.110 4.773 ( 2.970 -6.616 -3.457) 8.034 4.831 ( 0.296 2.111 0.341) 2.159 4.942 ( -0.974 -5.475 -0.134) 5.563 5.143 ( 2.794 1.035 2.207) 3.708 5.167 ( 1.613 -1.216 2.808) 3.459 5.396 ( 2.223 2.627 -0.078) 3.442 5.445 ( 1.950 -1.924 0.127) 2.743 5.744 ( 3.841 6.304 -0.098) 7.383 5.888 ( 3.991 -6.943 -1.539) 8.155 6.132 ( 2.825 2.035 0.734) 3.559 6.170 ( 1.208 -1.265 0.465) 1.810 6.321 ( 3.063 2.494 -0.090) 3.951 6.387 ( 2.000 -3.387 1.186) 4.109 6.570 ( 12.808 1.306 -3.354) 13.304 6.589 ( 10.058 -0.846 -2.741) 10.459 6.732 ( 3.409 2.191 0.402) 4.072 6.788 ( 3.162 -3.110 1.181) 4.589 6.869 ( -1.378 5.547 0.619) 5.749 6.982 ( -1.331 -4.876 0.672) 5.098 7.133 ( -0.591 4.372 0.654) 4.460 7.210 ( -1.925 -2.556 1.341) 3.469 7.391 ( -6.468 3.313 -0.632) 7.294 7.487 ( -4.763 -5.171 -3.491) 7.849 7.714 ( -1.178 1.811 -0.057) 2.161 7.762 ( -3.740 -2.656 0.343) 4.600 7.916 ( 2.688 3.035 1.202) 4.229 7.991 ( -0.629 -4.102 5.007) 6.503 8.392 ( -5.174 1.108 -1.684) 5.553 8.416 ( -4.243 -1.058 -1.713) 4.696 8.738 ( 0.825 1.121 -0.165) 1.402 8.762 ( 2.747 -1.323 1.778) 3.530 9.063 ( -3.991 2.015 1.029) 4.588 9.114 ( -2.248 -2.577 -0.016) 3.420 9.314 ( -1.720 3.700 0.889) 4.176 9.384 ( -1.779 -2.864 0.944) 3.501 9.907 ( 1.235 4.506 0.445) 4.693 9.933 ( 1.840 6.810 -0.014) 7.054 10.004 ( 1.789 -4.322 -0.744) 4.737 10.057 ( 3.793 -4.426 -1.390) 5.992 10.321 ( 3.378 1.470 1.569) 4.005 10.365 ( 4.267 -2.445 0.471) 4.941 11.210 ( -1.884 0.642 0.931) 2.198 11.223 ( -1.615 -0.407 0.721) 1.814 11.435 ( 2.738 6.643 -2.108) 7.488 11.586 ( 3.840 -7.012 -1.495) 8.133 12.075 ( -2.980 2.601 0.536) 3.992 12.133 ( -2.895 -2.778 -0.177) 4.016 12.461 ( 1.240 1.661 -0.078) 2.074 12.510 ( 1.912 -2.455 0.613) 3.172 12.605 ( -2.488 1.023 1.442) 3.052 12.643 ( -1.835 -2.515 2.462) 3.969 13.520 ( 1.218 1.259 -1.828) 2.532 13.550 ( 1.598 -1.517 -0.956) 2.401 13.728 ( -0.322 2.106 1.425) 2.563 13.784 ( -0.081 -3.268 1.256) 3.502 14.223 ( 0.060 13.390 1.367) 13.460 14.484 ( -2.056 0.185 -2.165) 2.992 14.503 ( 2.689 -3.760 6.411) 7.904 14.672 ( -1.159 -7.477 -1.737) 7.763 14.896 ( 2.793 4.669 2.588) 6.025 14.988 ( 7.172 -3.063 0.943) 7.855 15.650 ( -11.100 15.408 -4.249) 19.460 15.952 ( -3.952 -12.317 -5.080) 13.898 16.483 ( -1.234 2.064 -0.514) 2.459 16.543 ( -2.110 -3.601 -1.062) 4.307 16.752 ( -1.217 8.799 0.192) 8.885 16.951 ( -0.919 -9.592 0.097) 9.636 ======================= Grid point 80 (44/108) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -3.259 2.676 -0.661) 4.269 1.233 ( -3.160 -6.165 -2.587) 7.395 1.380 ( -1.704 7.565 -10.383) 12.959 1.499 ( 2.614 -3.405 -8.285) 9.331 1.645 ( 4.338 4.617 3.971) 7.476 1.780 ( 1.762 -8.009 2.965) 8.720 1.912 ( -2.048 4.109 -2.698) 5.325 1.985 ( -4.682 -2.562 -7.933) 9.562 2.210 ( 1.449 3.358 4.506) 5.804 2.255 ( 2.768 3.075 -4.365) 6.015 2.289 ( 0.967 2.996 6.417) 7.148 2.427 ( 4.274 -4.422 -2.653) 6.698 2.491 ( -1.087 2.786 -1.954) 3.572 2.570 ( 3.100 -3.520 -5.942) 7.570 2.851 ( -1.265 5.920 2.177) 6.433 2.919 ( -2.347 -0.322 4.153) 4.781 2.956 ( -2.945 1.604 -0.087) 3.355 3.056 ( -1.410 -5.545 -3.375) 6.643 3.104 ( 1.557 3.220 -3.960) 5.336 3.137 ( 0.590 -1.203 -3.230) 3.497 3.223 ( 0.202 2.097 -1.700) 2.707 3.324 ( 1.461 -6.156 -2.757) 6.901 3.572 ( -3.537 -0.054 3.944) 5.298 3.621 ( -3.166 -4.917 2.026) 6.189 4.028 ( -2.118 1.172 -1.136) 2.674 4.046 ( -0.905 -0.239 -0.016) 0.936 4.516 ( -0.267 7.676 -3.627) 8.494 4.590 ( 0.393 4.152 0.742) 4.236 4.746 ( 0.826 -5.392 -5.813) 7.972 4.756 ( 1.488 -0.200 -1.294) 1.982 4.870 ( 1.510 -0.832 1.772) 2.472 4.941 ( 1.043 -4.633 0.800) 4.815 5.192 ( -1.090 0.136 3.399) 3.572 5.200 ( -2.007 -0.546 3.270) 3.876 5.449 ( 2.075 2.471 3.042) 4.435 5.487 ( 1.457 -1.144 2.469) 3.087 5.795 ( 1.194 5.593 2.230) 6.139 5.923 ( 1.905 -6.214 0.110) 6.500 6.148 ( -1.296 2.046 -0.481) 2.469 6.187 ( -0.415 -1.197 0.669) 1.432 6.344 ( -0.030 2.155 -0.141) 2.160 6.405 ( -0.789 -3.070 0.766) 3.261 6.658 ( 3.369 0.930 -1.829) 3.945 6.677 ( 3.248 -0.663 -1.456) 3.621 6.757 ( -0.633 1.616 -1.317) 2.178 6.792 ( -0.635 -1.409 -1.474) 2.135 6.912 ( 0.517 3.565 3.935) 5.335 6.994 ( 0.155 -3.814 2.363) 4.489 7.132 ( -0.966 3.912 0.404) 4.049 7.186 ( -1.505 -1.449 -0.180) 2.097 7.270 ( -2.790 4.171 -4.814) 6.954 7.409 ( 1.403 -7.586 -3.934) 8.659 7.674 ( -1.514 0.723 -3.801) 4.154 7.691 ( -2.632 -1.199 -2.740) 3.984 7.953 ( -0.644 2.089 1.179) 2.483 7.997 ( -3.198 -1.804 2.790) 4.612 8.390 ( 3.679 1.840 4.005) 5.741 8.449 ( 4.654 -3.491 4.799) 7.542 8.753 ( -0.085 2.680 0.953) 2.846 8.808 ( -0.201 -2.394 2.442) 3.425 9.037 ( -0.848 2.481 0.971) 2.796 9.093 ( -0.195 -2.652 -0.261) 2.672 9.294 ( -1.357 3.159 -0.174) 3.443 9.357 ( -1.573 -2.722 -0.904) 3.271 9.889 ( -1.729 4.459 -2.257) 5.288 9.937 ( -0.585 7.516 -0.998) 7.605 9.985 ( -1.017 -4.427 -2.973) 5.429 10.073 ( 0.657 -4.921 -2.069) 5.378 10.379 ( 0.188 1.310 3.223) 3.484 10.421 ( 0.824 -2.457 2.172) 3.381 11.198 ( -0.915 0.972 0.775) 1.544 11.218 ( -0.461 -0.808 1.134) 1.467 11.428 ( 0.800 6.283 -3.471) 7.222 11.566 ( -0.744 -6.351 -5.004) 8.119 12.070 ( 0.290 2.692 1.753) 3.226 12.127 ( 0.973 -2.594 1.228) 3.031 12.481 ( 0.985 2.020 0.133) 2.251 12.537 ( 0.256 -2.966 -0.362) 2.999 12.618 ( -0.478 1.610 5.484) 5.736 12.670 ( -0.574 -3.225 5.094) 6.056 13.583 ( 4.481 2.659 4.832) 7.106 13.631 ( 4.287 -1.816 6.195) 7.750 13.770 ( 1.151 0.800 5.086) 5.276 13.812 ( 0.192 -3.171 3.460) 4.697 14.196 ( -3.014 12.283 -1.677) 12.758 14.402 ( -3.984 -3.440 -3.403) 6.267 14.576 ( -1.358 -2.217 4.263) 4.994 14.664 ( 2.094 -6.041 -1.039) 6.478 14.888 ( -4.619 7.498 -1.975) 9.026 15.026 ( -4.316 -5.198 -2.350) 7.153 15.537 ( 5.446 17.995 -3.572) 19.137 15.888 ( 4.549 -14.610 -5.997) 16.435 16.458 ( -0.399 1.536 -1.535) 2.208 16.499 ( -0.724 -2.354 -2.679) 3.639 16.728 ( -1.053 8.485 -1.168) 8.630 16.919 ( -1.314 -9.220 -2.387) 9.614 ======================= Grid point 81 (45/108) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -8.281 -0.531 -4.780) 9.577 1.059 ( -12.954 -4.300 -3.000) 13.975 1.316 ( 7.029 9.372 -9.403) 15.022 1.490 ( 5.560 -6.335 -10.714) 13.632 1.720 ( -4.686 5.922 -3.310) 8.246 1.803 ( 5.442 0.695 0.765) 5.540 1.823 ( -2.468 -2.577 -4.150) 5.473 1.865 ( 0.509 -3.818 0.675) 3.910 2.218 ( 1.793 4.970 -4.558) 6.978 2.304 ( 1.088 -1.649 -1.828) 2.691 2.368 ( 7.002 2.161 3.105) 7.958 2.455 ( 5.164 -3.757 -2.486) 6.852 2.555 ( 5.470 5.282 5.475) 9.371 2.659 ( 6.814 -2.954 3.669) 8.283 2.840 ( -1.390 6.367 -0.825) 6.569 2.898 ( -2.856 1.599 -2.287) 3.993 2.912 ( -1.309 -1.024 -0.919) 1.899 2.971 ( -2.531 -3.577 -3.285) 5.477 3.110 ( 1.246 0.594 -4.083) 4.310 3.119 ( 4.078 0.365 -2.617) 4.859 3.214 ( 2.310 1.094 -2.880) 3.851 3.293 ( -1.034 -6.854 -2.270) 7.294 3.595 ( 1.175 0.238 4.266) 4.431 3.640 ( 2.518 -3.847 2.131) 5.068 4.004 ( 2.345 2.791 -2.680) 4.525 4.043 ( 2.321 -0.689 -1.891) 3.072 4.466 ( 0.029 5.828 -4.351) 7.273 4.583 ( -0.544 -0.718 -1.652) 1.881 4.679 ( -1.653 -0.334 -3.506) 3.891 4.770 ( 0.017 -4.451 0.921) 4.545 4.906 ( 0.929 2.403 1.683) 3.077 4.985 ( 2.046 -3.996 1.048) 4.610 5.168 ( -6.470 0.924 3.211) 7.282 5.194 ( -5.486 -1.409 4.989) 7.548 5.512 ( 0.366 1.676 3.521) 3.917 5.539 ( 0.266 -0.610 3.462) 3.525 5.821 ( -2.572 5.152 2.526) 6.288 5.945 ( -1.174 -6.543 1.568) 6.830 6.077 ( -5.052 3.415 -2.569) 6.617 6.151 ( -3.606 -3.165 -2.065) 5.223 6.323 ( -2.429 3.224 0.565) 4.076 6.387 ( -3.060 -2.468 0.917) 4.037 6.643 ( -2.826 0.740 -1.360) 3.222 6.663 ( -2.307 -0.961 -0.390) 2.530 6.672 ( -8.065 1.605 -0.732) 8.255 6.720 ( -6.314 -3.084 0.058) 7.027 6.957 ( 0.988 4.293 3.125) 5.401 7.043 ( 3.609 -3.445 1.571) 5.231 7.126 ( -0.064 2.665 1.052) 2.865 7.159 ( -0.426 -0.419 -0.072) 0.602 7.286 ( 8.254 5.114 -2.520) 10.032 7.432 ( 6.187 -7.775 -3.066) 10.398 7.599 ( -0.059 1.331 -5.246) 5.412 7.632 ( 0.499 -1.692 -4.940) 5.246 7.939 ( -1.937 3.007 1.505) 3.881 8.003 ( -1.300 -2.612 3.679) 4.695 8.529 ( 4.901 1.311 4.820) 6.998 8.573 ( 2.156 -2.560 3.473) 4.823 8.756 ( 0.241 2.698 0.147) 2.712 8.822 ( 0.760 -3.085 0.314) 3.193 9.072 ( 3.458 2.405 2.317) 4.808 9.115 ( 2.637 -1.756 2.002) 3.748 9.268 ( -1.709 2.357 -0.389) 2.937 9.320 ( -1.187 -2.340 -1.689) 3.121 9.809 ( -4.645 4.861 -2.474) 7.164 9.907 ( -1.469 6.601 -1.189) 6.866 9.912 ( -3.475 -4.572 -3.009) 6.483 10.036 ( -1.640 -4.988 -2.337) 5.747 10.393 ( -3.356 1.457 3.099) 4.795 10.433 ( -3.080 -2.055 2.577) 4.511 11.197 ( -0.280 1.463 0.214) 1.505 11.230 ( 0.191 -1.521 0.895) 1.775 11.393 ( -0.225 4.107 -2.592) 4.862 11.480 ( -2.164 -3.836 -4.547) 6.330 12.114 ( 2.765 2.977 1.447) 4.313 12.179 ( 3.900 -3.088 0.894) 5.054 12.494 ( 0.680 1.388 -0.035) 1.545 12.526 ( -0.169 -1.325 -0.976) 1.654 12.685 ( -0.259 0.837 5.966) 6.031 12.732 ( 0.085 -3.428 5.544) 6.519 13.725 ( 0.434 3.022 7.889) 8.460 13.762 ( 1.266 -0.157 7.783) 7.887 13.854 ( 1.374 1.789 5.855) 6.275 13.942 ( 5.956 -5.457 10.823) 13.505 14.111 ( -3.796 9.072 -1.721) 9.983 14.287 ( -6.626 -5.924 -2.336) 9.190 14.579 ( -1.980 2.860 0.732) 3.555 14.659 ( -2.000 -2.941 -3.673) 5.113 14.738 ( -7.327 6.291 -4.574) 10.686 14.850 ( -8.274 -4.375 -5.777) 10.999 15.702 ( 17.535 10.699 -2.185) 20.657 15.942 ( 12.462 -11.433 -8.110) 18.756 16.436 ( 0.082 1.081 -1.686) 2.004 16.460 ( -0.132 -1.097 -2.866) 3.071 16.698 ( -0.695 7.362 -1.273) 7.504 16.863 ( -1.122 -7.907 -3.513) 8.725 ======================= Grid point 82 (46/108) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -12.328 -0.716 -4.369) 13.099 0.865 ( -0.603 -5.724 -8.259) 10.067 1.243 ( -2.240 3.768 -11.215) 12.042 1.313 ( -4.756 -1.874 -16.730) 17.494 1.644 ( -3.427 7.653 2.329) 8.703 1.780 ( 1.676 -4.583 -1.361) 5.066 1.879 ( 4.500 3.639 -1.530) 5.986 1.976 ( 8.095 -4.143 2.303) 9.381 2.193 ( 1.568 7.023 -3.054) 7.817 2.318 ( 4.185 -2.434 -3.514) 5.982 2.490 ( 5.382 0.274 -1.929) 5.724 2.557 ( 9.443 -5.149 1.017) 10.804 2.677 ( -1.868 4.718 4.503) 6.785 2.743 ( -3.164 0.297 2.188) 3.858 2.821 ( 3.525 1.501 -1.306) 4.048 2.836 ( -2.163 -0.184 -3.785) 4.363 2.878 ( 0.315 0.414 3.712) 3.748 2.947 ( 2.897 -2.845 -0.121) 4.062 3.095 ( 4.940 3.506 -5.235) 8.006 3.162 ( 6.920 -1.351 -5.371) 8.863 3.215 ( 2.419 0.174 -2.330) 3.363 3.262 ( -1.468 -5.818 0.676) 6.038 3.718 ( 7.518 1.064 4.858) 9.013 3.746 ( 7.781 -1.317 2.027) 8.148 4.045 ( 5.720 2.571 -1.274) 6.399 4.081 ( 4.658 -0.602 -0.825) 4.768 4.419 ( -0.213 3.050 -3.343) 4.531 4.529 ( -0.556 -6.807 -5.869) 9.005 4.638 ( -2.570 6.322 2.276) 7.194 4.767 ( -1.517 -5.666 0.456) 5.883 4.929 ( -0.224 3.195 0.451) 3.235 5.001 ( -0.301 -3.034 -0.955) 3.195 5.080 ( -9.549 2.347 3.283) 10.367 5.151 ( -8.928 -4.480 6.828) 12.100 5.527 ( -3.336 1.690 2.254) 4.366 5.554 ( -3.225 -0.856 2.265) 4.033 5.731 ( -9.968 4.598 -1.498) 11.079 5.851 ( -11.552 -6.657 -2.641) 13.592 5.972 ( -4.520 4.242 -1.621) 6.407 6.061 ( -4.649 -3.847 -1.183) 6.149 6.301 ( -0.752 2.713 0.518) 2.863 6.343 ( -2.864 -0.998 1.199) 3.261 6.544 ( -8.381 1.385 2.449) 8.840 6.580 ( -5.717 -1.508 3.443) 6.842 6.635 ( -0.378 -0.502 -0.612) 0.877 6.660 ( -0.693 -2.485 -0.517) 2.631 7.022 ( 2.096 4.873 3.046) 6.117 7.111 ( -0.493 -2.038 1.381) 2.510 7.133 ( 3.311 1.791 -2.110) 4.315 7.185 ( 2.450 -2.564 1.324) 3.786 7.408 ( 8.963 5.502 -0.493) 10.529 7.507 ( 7.209 -3.101 -2.493) 8.235 7.564 ( 3.570 -0.471 -5.198) 6.323 7.606 ( 2.287 -2.514 -1.784) 3.838 7.940 ( -0.897 4.138 2.288) 4.813 8.034 ( -1.711 -4.383 5.597) 7.312 8.568 ( -2.217 0.956 -1.942) 3.098 8.599 ( -1.081 -1.649 1.634) 2.561 8.781 ( 1.730 2.814 1.301) 3.550 8.847 ( 2.295 -3.167 -0.871) 4.007 9.188 ( 4.748 1.894 3.423) 6.152 9.206 ( -1.110 -0.390 2.484) 2.749 9.247 ( 3.298 1.614 -0.185) 3.677 9.297 ( 4.530 -2.291 -1.333) 5.248 9.706 ( -5.588 4.236 -0.848) 7.063 9.808 ( -5.894 -4.851 -2.014) 7.895 9.878 ( -0.867 5.268 -0.728) 5.388 9.978 ( -2.455 -3.638 -2.021) 4.831 10.349 ( -6.400 1.722 2.219) 6.990 10.388 ( -6.180 -1.786 2.287) 6.827 11.180 ( -1.581 1.549 -1.085) 2.465 11.227 ( -1.463 -2.574 -0.228) 2.969 11.374 ( 0.466 2.648 -0.631) 2.762 11.425 ( 0.295 -2.027 -1.732) 2.683 12.182 ( 4.232 3.333 0.818) 5.448 12.260 ( 5.576 -3.936 0.146) 6.827 12.503 ( 0.755 0.540 -0.258) 0.963 12.513 ( 0.341 -0.207 -1.458) 1.512 12.746 ( -0.472 1.071 5.499) 5.622 12.793 ( -0.307 -3.165 5.062) 5.978 13.734 ( -9.072 3.443 -0.452) 9.714 13.773 ( -7.411 0.037 7.256) 10.372 13.974 ( 0.152 3.225 0.991) 3.377 14.017 ( -0.539 1.789 2.805) 3.370 14.143 ( -2.311 -0.344 2.341) 3.307 14.247 ( 1.469 -7.320 12.702) 14.733 14.469 ( -9.446 1.987 -3.936) 10.424 14.510 ( -8.814 -2.413 -4.772) 10.310 14.641 ( 0.186 4.606 -0.378) 4.626 14.729 ( 2.053 -3.452 -7.738) 8.718 15.972 ( 20.400 4.615 -3.157) 21.153 16.063 ( 17.342 -3.985 -10.914) 20.874 16.423 ( 0.717 1.041 -1.764) 2.170 16.440 ( 0.386 -0.701 0.462) 0.924 16.686 ( -0.093 5.786 0.504) 5.808 16.814 ( -0.201 -6.106 -2.668) 6.666 ======================= Grid point 83 (47/108) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.695 8.780 -2.930) 9.282 0.777 ( -1.177 0.088 -9.055) 9.131 1.047 ( -5.882 -0.582 -11.240) 12.700 1.117 ( 4.925 -9.873 -6.375) 12.742 1.635 ( -3.836 12.063 5.428) 13.773 1.806 ( 2.145 -6.239 0.547) 6.620 1.912 ( 0.588 8.828 -2.198) 9.116 2.096 ( 4.695 -3.268 1.238) 5.853 2.206 ( 1.766 0.233 1.079) 2.082 2.313 ( 1.501 -6.016 -5.335) 8.180 2.515 ( -0.912 0.301 -2.746) 2.909 2.548 ( -5.738 -2.106 -1.945) 6.415 2.662 ( -1.712 3.383 -1.794) 4.195 2.731 ( -1.257 -1.984 -1.643) 2.866 2.829 ( 3.717 -0.238 -1.565) 4.040 2.849 ( 6.521 -2.314 4.069) 8.027 3.012 ( 4.715 2.135 2.411) 5.710 3.052 ( 8.018 -0.851 2.616) 8.477 3.132 ( 6.722 6.099 -3.365) 9.681 3.205 ( 5.810 1.796 -3.162) 6.854 3.251 ( 4.932 -1.446 -2.152) 5.572 3.288 ( 4.739 -6.057 2.176) 7.993 3.886 ( 6.658 2.293 1.291) 7.159 3.909 ( 8.328 -0.212 3.379) 8.990 4.129 ( 3.678 1.873 1.805) 4.505 4.155 ( 3.154 -0.434 2.633) 4.131 4.387 ( 0.917 0.725 -2.186) 2.479 4.449 ( -1.266 -5.198 -3.894) 6.617 4.640 ( -1.710 4.805 2.816) 5.826 4.738 ( -1.918 -4.505 -1.048) 5.007 4.899 ( -2.763 3.171 -1.273) 4.395 4.952 ( -7.099 0.440 1.779) 7.331 4.972 ( -5.875 -0.225 -0.295) 5.886 5.072 ( -10.719 -6.954 5.047) 13.737 5.448 ( -8.792 0.986 -0.040) 8.847 5.457 ( -11.917 0.007 0.645) 11.935 5.568 ( -5.669 1.327 -2.183) 6.218 5.611 ( -10.584 -2.928 -4.951) 12.046 5.884 ( -5.426 4.193 -0.696) 6.892 5.964 ( -6.248 -3.226 -0.562) 7.054 6.314 ( 1.984 1.643 -0.618) 2.649 6.342 ( 0.308 -0.911 0.842) 1.278 6.477 ( -3.888 1.653 2.319) 4.819 6.540 ( -4.848 -4.029 3.207) 7.073 6.649 ( 1.957 0.677 0.192) 2.080 6.674 ( 1.996 -1.536 -0.044) 2.519 7.058 ( -1.919 2.794 -0.130) 3.392 7.065 ( -2.213 1.806 -0.566) 2.912 7.178 ( 3.620 -0.006 -0.873) 3.724 7.231 ( 2.860 -4.317 -1.937) 5.528 7.519 ( 6.506 4.435 -0.545) 7.893 7.578 ( 3.490 1.529 -0.380) 3.829 7.608 ( 6.127 -1.216 0.139) 6.248 7.667 ( 4.537 -3.389 1.968) 5.995 7.966 ( 0.248 4.972 2.922) 5.773 8.086 ( -1.866 -5.959 8.087) 10.217 8.501 ( -0.786 3.050 -4.084) 5.157 8.578 ( -0.446 -3.436 -1.230) 3.677 8.802 ( -1.576 2.248 -0.289) 2.761 8.862 ( 0.568 -3.026 -0.903) 3.208 9.158 ( -3.789 1.430 1.154) 4.211 9.179 ( -4.154 -0.523 1.152) 4.342 9.381 ( 9.383 4.191 0.808) 10.308 9.462 ( 10.950 -3.261 0.859) 11.458 9.633 ( -3.918 2.143 1.431) 4.689 9.696 ( -5.131 -3.134 -0.633) 6.046 9.867 ( -0.180 3.059 0.200) 3.071 9.923 ( -1.842 -1.707 -1.194) 2.781 10.252 ( -8.567 2.350 1.032) 8.943 10.305 ( -7.458 -2.352 1.634) 7.989 11.130 ( -2.441 1.873 -1.276) 3.331 11.192 ( -2.602 -3.832 0.140) 4.634 11.386 ( 1.100 2.568 0.108) 2.795 11.434 ( 1.832 -1.829 -0.578) 2.652 12.257 ( 4.435 3.471 0.199) 5.635 12.344 ( 5.652 -4.776 -0.798) 7.443 12.503 ( 0.890 0.724 -1.758) 2.099 12.512 ( 1.087 -0.213 -0.551) 1.237 12.801 ( -0.516 1.260 5.272) 5.445 12.841 ( -0.815 -2.296 4.527) 5.141 13.494 ( -14.570 4.627 -5.562) 16.267 13.614 ( -18.737 -7.115 -2.603) 20.210 13.923 ( -1.533 4.995 -1.323) 5.390 14.010 ( -1.008 -2.577 -0.110) 2.769 14.207 ( -3.309 6.307 4.609) 8.483 14.289 ( -2.934 2.386 -0.874) 3.882 14.321 ( -7.576 -4.228 -2.686) 9.082 14.391 ( 0.208 -5.358 2.681) 5.995 14.687 ( 2.553 1.366 -0.675) 2.973 14.736 ( 2.975 -3.659 6.147) 7.747 16.178 ( 15.879 4.147 -10.937) 19.722 16.223 ( 14.789 -0.377 -6.109) 16.006 16.441 ( 4.421 3.414 -0.191) 5.589 16.499 ( 5.446 -1.826 1.869) 6.040 16.716 ( 0.614 3.693 4.387) 5.767 16.803 ( 0.969 -4.248 0.185) 4.361 ======================= Grid point 84 (48/108) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -2.313 11.033 2.911) 11.642 0.797 ( 12.387 11.150 8.012) 18.492 0.919 ( -1.266 1.682 -0.133) 2.109 1.236 ( 9.864 -13.086 1.665) 16.471 1.649 ( -3.731 15.854 5.960) 17.343 1.843 ( 2.141 -3.507 -2.647) 4.887 1.866 ( -2.524 1.568 2.145) 3.665 2.132 ( -3.202 -11.152 0.203) 11.604 2.235 ( -0.466 -4.715 0.822) 4.809 2.274 ( 0.940 -3.533 -1.069) 3.809 2.418 ( -4.470 0.632 -0.481) 4.540 2.472 ( 0.536 -1.547 -5.402) 5.645 2.617 ( 0.394 2.682 -1.582) 3.139 2.700 ( 0.770 -4.182 -3.281) 5.371 2.923 ( 2.881 1.900 3.406) 4.848 2.955 ( -1.573 -1.109 4.299) 4.710 3.053 ( 7.312 5.030 -6.578) 11.047 3.119 ( 3.796 -0.946 -1.782) 4.299 3.238 ( 2.517 3.434 1.608) 4.551 3.304 ( 9.894 1.789 -3.723) 10.722 3.351 ( 10.100 2.452 4.585) 11.359 3.456 ( 10.500 -4.083 3.822) 11.896 3.919 ( -5.226 3.375 2.597) 6.742 3.983 ( -5.169 -3.021 3.126) 6.754 4.155 ( -1.536 6.124 0.607) 6.343 4.259 ( 5.976 -3.615 1.624) 7.171 4.411 ( 3.824 0.121 -0.933) 3.938 4.433 ( 1.316 -2.227 -0.337) 2.609 4.638 ( -2.401 0.849 2.950) 3.897 4.665 ( -5.654 -2.352 -1.363) 6.274 4.825 ( -4.291 1.370 -2.743) 5.274 4.850 ( -8.026 0.226 -0.903) 8.080 4.894 ( -2.761 -0.054 2.314) 3.603 4.961 ( -6.596 -3.896 0.815) 7.704 5.291 ( -7.414 0.217 -0.604) 7.442 5.304 ( -7.759 -0.711 0.027) 7.791 5.450 ( -2.921 2.374 -3.665) 5.253 5.488 ( -2.554 -1.164 -2.187) 3.558 5.804 ( -3.762 4.088 -0.112) 5.557 5.880 ( -3.734 -2.947 -0.095) 4.757 6.320 ( 0.645 1.808 -2.632) 3.257 6.350 ( 0.254 -0.923 -0.521) 1.090 6.475 ( 0.530 0.454 0.687) 0.979 6.506 ( -2.151 -2.491 -0.195) 3.298 6.674 ( 1.159 0.130 -0.155) 1.177 6.692 ( 0.718 -1.318 -1.304) 1.988 6.994 ( -1.423 2.664 -3.144) 4.360 7.035 ( -2.078 -0.793 -0.913) 2.404 7.212 ( 2.004 0.132 -0.954) 2.223 7.243 ( 2.407 -2.305 -0.548) 3.377 7.610 ( 3.393 1.065 2.087) 4.123 7.625 ( 1.570 -0.297 0.697) 1.743 7.669 ( 0.842 3.961 2.203) 4.610 7.765 ( 3.604 -4.704 1.992) 6.251 7.987 ( -0.917 6.282 -0.260) 6.354 8.130 ( -4.650 -7.272 4.479) 9.724 8.499 ( 5.174 4.637 0.501) 6.966 8.590 ( 2.740 -2.740 -0.197) 3.880 8.719 ( -3.101 2.269 -4.220) 5.707 8.809 ( -3.961 -4.955 -3.335) 7.167 9.137 ( -2.695 2.721 3.622) 5.271 9.180 ( -0.393 -1.274 3.914) 4.135 9.478 ( 1.637 1.567 1.304) 2.614 9.495 ( -3.493 -0.120 -2.043) 4.049 9.687 ( 6.638 0.691 2.248) 7.042 9.717 ( 6.037 -1.497 1.355) 6.365 9.870 ( -0.436 1.105 0.843) 1.456 9.896 ( -1.016 -0.856 -0.625) 1.468 10.118 ( -9.040 3.654 -0.108) 9.751 10.207 ( -6.490 -4.487 0.509) 7.907 11.093 ( -1.057 2.105 -0.100) 2.358 11.155 ( -2.814 -3.951 0.752) 4.909 11.401 ( 0.703 2.821 -0.186) 2.913 11.451 ( 1.312 -1.851 -0.827) 2.414 12.316 ( 3.169 3.317 -0.293) 4.597 12.409 ( 4.456 -5.358 -1.664) 7.164 12.500 ( 1.401 1.469 -1.753) 2.682 12.525 ( 1.451 -0.729 -0.717) 1.775 12.837 ( -2.340 0.779 2.336) 3.396 12.859 ( -2.705 -1.304 1.227) 3.244 13.251 ( -8.260 0.447 -1.411) 8.392 13.268 ( -14.010 -1.771 -3.545) 14.559 13.892 ( -0.683 5.971 -2.030) 6.344 13.982 ( 0.449 -2.305 -3.530) 4.240 14.123 ( -5.377 3.561 0.068) 6.450 14.237 ( -2.611 -5.609 1.337) 6.329 14.298 ( 0.371 5.118 -0.212) 5.135 14.404 ( -0.782 -3.681 0.768) 3.841 14.727 ( 0.509 5.286 3.131) 6.164 14.872 ( -0.674 -8.319 11.632) 14.317 16.258 ( 7.991 3.546 -5.859) 10.524 16.302 ( 5.736 -0.852 -4.925) 7.608 16.530 ( 7.299 5.755 -3.318) 9.869 16.622 ( 7.883 -1.732 -0.017) 8.071 16.783 ( 0.426 1.592 3.103) 3.514 16.866 ( 2.019 -4.696 6.276) 8.094 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 2.524 0.000 18.927) 19.095 0.876 ( -8.710 0.000 23.279) 24.855 1.516 ( -6.456 0.000 29.627) 30.322 1.570 ( 6.588 0.000 16.170) 17.461 1.776 ( -3.583 0.000 -12.141) 12.659 1.952 ( -4.613 0.000 1.215) 4.770 2.097 ( 5.907 0.000 -6.756) 8.974 2.134 ( 9.056 0.000 -4.641) 10.176 2.196 ( 6.182 0.000 9.802) 11.589 2.258 ( -1.594 0.000 -3.242) 3.613 2.353 ( -1.221 0.000 -1.186) 1.702 2.426 ( 6.446 0.000 -4.610) 7.925 2.431 ( 1.515 0.000 -9.944) 10.059 2.793 ( 3.688 0.000 -2.032) 4.211 2.989 ( -0.646 0.000 5.110) 5.151 3.094 ( -2.152 0.000 1.248) 2.488 3.098 ( 0.690 0.000 3.517) 3.584 3.159 ( 5.384 0.000 3.381) 6.357 3.178 ( 1.960 0.000 -4.083) 4.529 3.238 ( -3.770 0.000 3.022) 4.832 3.596 ( 16.704 0.000 -0.084) 16.704 3.787 ( -12.677 0.000 -1.533) 12.770 3.814 ( 7.424 0.000 1.248) 7.528 3.893 ( -8.321 0.000 9.476) 12.611 4.126 ( -2.316 0.000 0.037) 2.317 4.264 ( -10.826 0.000 -9.322) 14.286 4.349 ( -7.566 0.000 -3.207) 8.217 4.508 ( 1.841 0.000 3.025) 3.541 4.551 ( -4.772 0.000 -6.024) 7.685 4.725 ( 1.176 0.000 0.757) 1.399 4.728 ( 8.731 0.000 4.557) 9.849 4.808 ( 2.466 0.000 2.875) 3.788 4.947 ( -5.475 0.000 1.913) 5.800 5.092 ( -1.802 0.000 -0.468) 1.862 5.147 ( 4.774 0.000 -0.904) 4.859 5.152 ( 3.713 0.000 -3.592) 5.166 5.341 ( 2.350 0.000 1.343) 2.706 5.476 ( 3.134 0.000 -2.299) 3.886 5.733 ( -1.135 0.000 3.905) 4.067 6.008 ( 1.319 0.000 4.480) 4.670 6.093 ( 0.006 0.000 -7.418) 7.418 6.271 ( 0.074 0.000 -6.699) 6.700 6.409 ( -0.697 0.000 -1.384) 1.550 6.497 ( -2.753 0.000 -1.097) 2.963 6.642 ( -0.454 0.000 2.630) 2.669 6.768 ( 0.130 0.000 -2.249) 2.253 6.879 ( 3.133 0.000 -5.392) 6.236 6.908 ( -1.193 0.000 -4.572) 4.725 7.199 ( 3.245 0.000 -0.931) 3.376 7.221 ( -4.551 0.000 1.230) 4.714 7.525 ( -1.967 0.000 -0.339) 1.996 7.699 ( 1.609 0.000 3.980) 4.293 7.802 ( 1.004 0.000 3.714) 3.847 7.873 ( -3.418 0.000 -4.146) 5.373 7.897 ( 2.432 0.000 5.845) 6.331 8.095 ( -6.305 0.000 -0.878) 6.366 8.435 ( 1.393 0.000 -1.430) 1.996 8.587 ( -4.826 0.000 -6.774) 8.317 8.889 ( 3.048 0.000 2.726) 4.089 9.003 ( 6.863 0.000 2.196) 7.206 9.242 ( -6.215 0.000 3.582) 7.173 9.245 ( -5.598 0.000 9.420) 10.958 9.412 ( 5.858 0.000 3.012) 6.587 9.707 ( -0.772 0.000 -0.971) 1.241 9.730 ( -9.062 0.000 -6.314) 11.045 9.778 ( -0.447 0.000 -4.061) 4.086 9.797 ( 0.726 0.000 1.598) 1.755 9.844 ( 6.387 0.000 -0.760) 6.432 9.887 ( -1.676 0.000 -1.046) 1.975 10.065 ( -2.002 0.000 -4.911) 5.303 11.124 ( 3.217 0.000 2.259) 3.931 11.196 ( -6.040 0.000 -0.522) 6.062 11.331 ( -1.612 0.000 2.060) 2.616 11.459 ( 0.758 0.000 -1.750) 1.907 12.340 ( -3.071 0.000 0.105) 3.073 12.424 ( 1.930 0.000 -2.072) 2.831 12.548 ( 2.428 0.000 -3.650) 4.384 12.555 ( -2.192 0.000 -0.548) 2.260 12.688 ( 3.555 0.000 -3.067) 4.695 12.744 ( -1.642 0.000 -1.924) 2.530 13.364 ( 5.327 0.000 7.696) 9.360 13.398 ( 0.792 0.000 8.722) 8.758 13.739 ( 4.128 0.000 3.552) 5.446 13.867 ( -3.195 0.000 -4.826) 5.788 13.880 ( 2.539 0.000 -7.950) 8.345 14.069 ( -4.171 0.000 -5.246) 6.702 14.227 ( 4.268 0.000 2.961) 5.195 14.456 ( -5.045 0.000 -2.890) 5.814 14.877 ( -3.013 0.000 15.578) 15.867 15.682 ( -7.852 0.000 18.807) 20.381 15.989 ( 2.981 0.000 -17.169) 17.426 16.181 ( 8.471 0.000 -1.660) 8.632 16.375 ( 0.636 0.000 3.596) 3.652 16.626 ( 1.022 0.000 -1.306) 1.658 16.970 ( 5.113 0.000 2.902) 5.879 17.325 ( -4.158 0.000 -6.418) 7.647 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -12.020 0.000 19.603) 22.994 1.014 ( 6.268 0.000 18.078) 19.134 1.451 ( -9.602 0.000 -8.634) 12.913 1.683 ( -4.421 0.000 -1.206) 4.583 1.864 ( 6.327 0.000 9.184) 11.153 1.937 ( -5.704 0.000 8.243) 10.024 2.132 ( 4.402 0.000 -2.491) 5.058 2.163 ( 3.568 0.000 -5.001) 6.143 2.191 ( -1.279 0.000 -4.896) 5.061 2.257 ( -3.492 0.000 -1.148) 3.676 2.364 ( 2.018 0.000 -2.524) 3.232 2.423 ( 2.080 0.000 13.037) 13.202 2.514 ( 10.352 0.000 -4.580) 11.320 2.712 ( -7.270 0.000 -3.829) 8.217 3.026 ( -8.151 0.000 -5.771) 9.988 3.066 ( -0.517 0.000 3.245) 3.286 3.111 ( 6.758 0.000 -4.829) 8.306 3.131 ( -3.333 0.000 5.197) 6.174 3.216 ( -5.288 0.000 6.404) 8.305 3.253 ( -1.188 0.000 -0.051) 1.189 3.527 ( -9.924 0.000 -5.640) 11.415 3.743 ( -14.428 0.000 2.192) 14.593 3.834 ( 6.486 0.000 3.390) 7.319 3.901 ( -6.624 0.000 2.066) 6.939 4.155 ( 7.360 0.000 1.725) 7.560 4.184 ( 10.963 0.000 -1.852) 11.119 4.222 ( -4.652 0.000 -0.623) 4.694 4.409 ( -5.187 0.000 -1.558) 5.416 4.578 ( -1.119 0.000 2.673) 2.897 4.720 ( -1.663 0.000 -0.990) 1.935 4.861 ( -0.687 0.000 2.889) 2.970 4.892 ( 4.935 0.000 0.682) 4.982 4.986 ( 11.720 0.000 -2.536) 11.991 5.082 ( 0.666 0.000 0.833) 1.066 5.199 ( 8.121 0.000 -3.622) 8.892 5.213 ( 7.243 0.000 -3.730) 8.147 5.402 ( 3.442 0.000 0.430) 3.469 5.537 ( 9.326 0.000 -3.779) 10.062 5.803 ( 3.130 0.000 5.294) 6.150 6.028 ( 2.784 0.000 -6.679) 7.236 6.116 ( 5.277 0.000 4.389) 6.864 6.209 ( 2.382 0.000 -5.781) 6.253 6.380 ( -0.898 0.000 -0.399) 0.982 6.419 ( -5.607 0.000 -0.923) 5.683 6.679 ( 0.328 0.000 3.290) 3.306 6.736 ( -1.041 0.000 -1.596) 1.905 6.853 ( 0.655 0.000 -3.961) 4.015 6.876 ( 5.137 0.000 -5.728) 7.694 7.151 ( -5.098 0.000 0.273) 5.105 7.255 ( 3.598 0.000 0.797) 3.685 7.515 ( -2.691 0.000 4.343) 5.109 7.717 ( -0.845 0.000 -1.952) 2.127 7.803 ( -2.495 0.000 1.208) 2.772 7.835 ( -1.746 0.000 2.141) 2.763 7.994 ( 2.257 0.000 4.674) 5.190 8.028 ( -2.766 0.000 -1.325) 3.067 8.472 ( -1.205 0.000 -3.837) 4.022 8.472 ( 4.870 0.000 -0.263) 4.877 8.907 ( -4.892 0.000 2.097) 5.322 9.001 ( -4.328 0.000 -2.666) 5.084 9.260 ( -5.165 0.000 7.004) 8.702 9.295 ( 0.723 0.000 7.688) 7.721 9.471 ( -12.599 0.000 -5.113) 13.597 9.555 ( 6.766 0.000 2.822) 7.331 9.602 ( -9.444 0.000 0.479) 9.456 9.720 ( -2.203 0.000 -0.165) 2.209 9.850 ( 5.176 0.000 -0.960) 5.265 9.894 ( 5.001 0.000 -3.290) 5.986 9.975 ( 9.072 0.000 0.892) 9.116 10.056 ( 7.297 0.000 -3.982) 8.313 11.158 ( 0.325 0.000 -0.849) 0.909 11.222 ( 5.491 0.000 2.670) 6.106 11.328 ( -2.270 0.000 2.250) 3.196 11.452 ( 1.300 0.000 -1.531) 2.009 12.276 ( -5.948 0.000 1.163) 6.061 12.410 ( -0.326 0.000 -2.854) 2.872 12.513 ( -1.514 0.000 -2.064) 2.560 12.524 ( -1.111 0.000 -1.044) 1.524 12.708 ( -0.545 0.000 -1.603) 1.693 12.710 ( 2.700 0.000 -2.043) 3.386 13.491 ( 0.745 0.000 5.169) 5.223 13.565 ( 8.186 0.000 6.726) 10.595 13.720 ( -4.542 0.000 -7.154) 8.474 13.838 ( 1.587 0.000 -5.287) 5.520 13.907 ( 8.942 0.000 5.168) 10.328 13.964 ( -0.331 0.000 -7.085) 7.093 14.298 ( -7.114 0.000 -5.169) 8.793 14.368 ( 6.376 0.000 5.952) 8.722 15.019 ( -4.162 0.000 17.154) 17.652 15.729 ( -11.635 0.000 14.449) 18.551 15.782 ( -2.616 0.000 -18.245) 18.431 16.228 ( 2.890 0.000 -3.903) 4.856 16.430 ( 0.626 0.000 3.835) 3.885 16.604 ( -0.761 0.000 -2.281) 2.404 17.087 ( 3.610 0.000 4.919) 6.101 17.118 ( -10.889 0.000 -5.898) 12.383 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -6.853 0.000 9.762) 11.928 1.227 ( -3.275 0.000 -9.516) 10.064 1.311 ( 5.513 0.000 16.519) 17.415 1.523 ( -9.695 0.000 -6.280) 11.551 1.804 ( -5.809 0.000 -8.328) 10.154 1.982 ( 2.278 0.000 -2.393) 3.304 2.096 ( -4.676 0.000 0.922) 4.766 2.167 ( -4.338 0.000 3.688) 5.694 2.207 ( 2.898 0.000 2.127) 3.595 2.268 ( 3.800 0.000 -0.955) 3.918 2.368 ( -0.457 0.000 -1.245) 1.326 2.536 ( -1.275 0.000 4.177) 4.368 2.539 ( -7.722 0.000 -4.292) 8.835 2.582 ( 2.501 0.000 -6.066) 6.562 2.881 ( -4.316 0.000 4.904) 6.533 2.999 ( -4.110 0.000 -4.049) 5.769 3.124 ( -5.606 0.000 2.741) 6.240 3.160 ( 5.192 0.000 -5.408) 7.497 3.165 ( -5.642 0.000 -0.786) 5.697 3.241 ( -0.248 0.000 4.008) 4.016 3.380 ( -2.466 0.000 -3.531) 4.306 3.556 ( -10.746 0.000 0.206) 10.748 3.772 ( -10.459 0.000 2.843) 10.839 3.952 ( -0.598 0.000 9.271) 9.290 4.138 ( -4.031 0.000 -1.190) 4.203 4.243 ( -7.063 0.000 3.243) 7.772 4.310 ( 5.026 0.000 2.418) 5.577 4.468 ( 7.613 0.000 -4.973) 9.094 4.556 ( 4.913 0.000 1.980) 5.297 4.664 ( -2.803 0.000 -1.437) 3.150 4.923 ( 4.982 0.000 1.269) 5.141 4.951 ( 3.697 0.000 -2.781) 4.626 5.060 ( 1.696 0.000 -1.265) 2.116 5.128 ( 2.514 0.000 2.550) 3.581 5.266 ( 5.182 0.000 -5.526) 7.575 5.337 ( 13.314 0.000 -1.840) 13.440 5.452 ( 2.292 0.000 1.223) 2.597 5.701 ( 18.687 0.000 -5.204) 19.398 5.943 ( 6.427 0.000 5.573) 8.507 6.022 ( 4.629 0.000 -4.754) 6.635 6.225 ( 6.527 0.000 -3.783) 7.544 6.232 ( 5.538 0.000 -0.013) 5.538 6.324 ( -4.576 0.000 -0.028) 4.576 6.407 ( 2.027 0.000 4.091) 4.566 6.701 ( -1.820 0.000 -0.557) 1.903 6.719 ( 0.169 0.000 2.509) 2.515 6.840 ( 2.361 0.000 -2.120) 3.173 6.905 ( 5.289 0.000 -2.931) 6.047 7.094 ( -2.230 0.000 0.425) 2.270 7.318 ( 2.177 0.000 2.172) 3.075 7.513 ( -6.194 0.000 5.694) 8.414 7.667 ( -0.733 0.000 -4.361) 4.422 7.778 ( -1.907 0.000 0.012) 1.907 7.790 ( -4.036 0.000 -1.813) 4.425 7.962 ( -3.238 0.000 -2.133) 3.877 8.105 ( 3.695 0.000 7.945) 8.762 8.451 ( 1.236 0.000 -1.366) 1.842 8.557 ( 3.758 0.000 0.836) 3.850 8.800 ( -8.434 0.000 -0.084) 8.434 8.868 ( -7.225 0.000 -4.681) 8.609 9.222 ( -6.825 0.000 1.566) 7.002 9.294 ( -6.710 0.000 1.963) 6.991 9.309 ( -6.686 0.000 2.150) 7.023 9.513 ( -3.495 0.000 4.319) 5.556 9.692 ( 5.043 0.000 3.108) 5.924 9.712 ( -0.511 0.000 1.631) 1.709 9.927 ( 7.737 0.000 -3.106) 8.337 9.947 ( 7.737 0.000 -5.001) 9.212 10.132 ( 7.511 0.000 3.829) 8.430 10.160 ( 9.689 0.000 -1.799) 9.854 11.159 ( 1.550 0.000 -1.639) 2.256 11.311 ( -3.434 0.000 2.259) 4.110 11.320 ( 1.991 0.000 1.630) 2.573 11.500 ( 7.221 0.000 0.712) 7.256 12.192 ( -7.244 0.000 2.009) 7.517 12.350 ( -3.249 0.000 -2.142) 3.891 12.461 ( -0.973 0.000 -3.197) 3.342 12.509 ( -0.651 0.000 1.248) 1.407 12.680 ( -0.898 0.000 -1.575) 1.813 12.723 ( 1.036 0.000 -0.323) 1.085 13.531 ( -0.350 0.000 -2.963) 2.983 13.602 ( -1.826 0.000 1.196) 2.183 13.691 ( 2.412 0.000 -3.815) 4.513 13.816 ( -0.243 0.000 -1.456) 1.476 13.883 ( 1.253 0.000 -3.473) 3.692 14.133 ( 12.072 0.000 5.574) 13.296 14.204 ( 1.850 0.000 -1.860) 2.624 14.532 ( 5.454 0.000 5.342) 7.634 15.132 ( -6.948 0.000 15.989) 17.434 15.497 ( -7.098 0.000 -17.044) 18.463 15.658 ( -15.264 0.000 8.858) 17.648 16.195 ( 0.505 0.000 -5.683) 5.706 16.474 ( -0.182 0.000 2.762) 2.768 16.559 ( -0.960 0.000 -2.661) 2.829 16.892 ( -9.381 0.000 -5.427) 10.837 17.180 ( 1.252 0.000 4.068) 4.256 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 4.582 0.000 -8.208) 9.400 1.189 ( 4.339 0.000 0.316) 4.351 1.271 ( -6.111 0.000 -11.732) 13.228 1.531 ( -1.599 0.000 11.368) 11.480 1.724 ( 1.918 0.000 3.313) 3.829 1.839 ( -5.319 0.000 -13.284) 14.309 2.041 ( -13.824 0.000 -0.684) 13.841 2.111 ( 1.151 0.000 2.393) 2.656 2.240 ( -5.525 0.000 -1.124) 5.638 2.246 ( -0.924 0.000 -4.398) 4.494 2.316 ( -0.265 0.000 -3.709) 3.719 2.426 ( -3.404 0.000 1.898) 3.898 2.477 ( -2.974 0.000 1.207) 3.210 2.597 ( 4.565 0.000 -3.821) 5.953 2.907 ( -3.510 0.000 -0.544) 3.552 2.930 ( -1.814 0.000 4.714) 5.051 2.974 ( -9.993 0.000 -2.160) 10.224 3.149 ( 5.189 0.000 -9.635) 10.944 3.156 ( -3.012 0.000 6.159) 6.856 3.254 ( -0.265 0.000 -2.308) 2.323 3.351 ( 1.731 0.000 -1.334) 2.185 3.407 ( -8.878 0.000 -0.190) 8.880 3.678 ( -6.420 0.000 3.082) 7.122 4.022 ( -2.243 0.000 5.003) 5.483 4.055 ( -5.425 0.000 -0.233) 5.430 4.168 ( -6.723 0.000 3.228) 7.458 4.369 ( 2.461 0.000 -0.037) 2.462 4.376 ( -7.326 0.000 -1.225) 7.428 4.629 ( -0.977 0.000 0.727) 1.218 4.764 ( 13.298 0.000 -3.061) 13.646 4.943 ( 2.311 0.000 -5.787) 6.231 5.014 ( 6.655 0.000 -0.164) 6.657 5.072 ( 0.431 0.000 1.622) 1.678 5.210 ( 2.949 0.000 3.436) 4.528 5.261 ( 1.737 0.000 -2.295) 2.878 5.457 ( 3.177 0.000 -0.213) 3.185 5.564 ( 7.297 0.000 4.197) 8.418 5.920 ( 15.450 0.000 -4.863) 16.198 6.039 ( 3.195 0.000 -3.166) 4.498 6.110 ( 8.712 0.000 1.942) 8.926 6.241 ( -1.951 0.000 1.878) 2.708 6.326 ( 7.880 0.000 0.793) 7.920 6.383 ( 12.956 0.000 -2.227) 13.146 6.488 ( 1.091 0.000 3.537) 3.702 6.668 ( -1.298 0.000 -1.254) 1.804 6.736 ( -0.411 0.000 0.542) 0.680 6.872 ( 2.420 0.000 0.745) 2.532 6.968 ( 3.969 0.000 1.088) 4.115 7.098 ( 1.493 0.000 1.004) 1.799 7.364 ( 0.338 0.000 1.729) 1.761 7.444 ( -10.242 0.000 4.237) 11.084 7.577 ( -3.251 0.000 -6.172) 6.976 7.691 ( -2.983 0.000 -5.025) 5.844 7.766 ( 1.664 0.000 -0.991) 1.936 7.882 ( -3.470 0.000 -2.640) 4.360 8.293 ( 2.165 0.000 12.924) 13.104 8.424 ( -1.712 0.000 -3.395) 3.802 8.514 ( -7.441 0.000 -0.025) 7.441 8.705 ( -5.782 0.000 -2.303) 6.224 8.777 ( 2.869 0.000 2.304) 3.680 9.148 ( -6.050 0.000 3.140) 6.817 9.226 ( -4.439 0.000 -0.269) 4.447 9.249 ( -3.771 0.000 2.698) 4.637 9.517 ( -3.485 0.000 3.310) 4.806 9.723 ( -0.379 0.000 0.762) 0.851 9.770 ( 2.320 0.000 0.187) 2.328 10.002 ( 6.949 0.000 -5.309) 8.745 10.007 ( 7.639 0.000 -3.730) 8.500 10.284 ( 5.068 0.000 5.100) 7.190 10.295 ( 9.335 0.000 -0.598) 9.354 11.167 ( 2.119 0.000 -1.750) 2.749 11.276 ( -4.299 0.000 2.201) 4.830 11.324 ( -1.258 0.000 -0.141) 1.266 11.646 ( 7.508 0.000 0.383) 7.517 12.110 ( -6.664 0.000 2.803) 7.229 12.268 ( -4.648 0.000 -1.187) 4.798 12.420 ( 0.380 0.000 -2.657) 2.684 12.554 ( 1.370 0.000 6.311) 6.458 12.643 ( -1.363 0.000 -1.733) 2.205 12.744 ( 0.684 0.000 2.015) 2.128 13.464 ( 0.231 0.000 -3.898) 3.905 13.624 ( 0.460 0.000 -4.186) 4.211 13.662 ( 0.711 0.000 6.477) 6.516 13.779 ( 0.455 0.000 -1.737) 1.796 13.941 ( 2.981 0.000 2.048) 3.617 14.275 ( 7.866 0.000 -1.461) 8.001 14.399 ( 13.319 0.000 5.245) 14.314 14.641 ( 3.617 0.000 1.640) 3.972 15.167 ( -11.392 0.000 13.549) 17.702 15.185 ( -9.588 0.000 -13.593) 16.634 15.480 ( -16.391 0.000 3.234) 16.707 16.125 ( 1.068 0.000 -7.662) 7.736 16.485 ( -1.177 0.000 0.870) 1.463 16.518 ( -0.218 0.000 -2.672) 2.681 16.709 ( -6.244 0.000 -5.366) 8.233 17.209 ( -1.086 0.000 0.307) 1.129 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 9.029 0.000 -11.058) 14.276 1.151 ( 4.935 0.000 -5.934) 7.718 1.305 ( 11.288 0.000 -2.462) 11.553 1.503 ( -11.257 0.000 4.204) 12.016 1.620 ( 1.152 0.000 -12.865) 12.916 1.793 ( -11.913 0.000 -5.702) 13.207 1.849 ( -1.386 0.000 3.535) 3.797 2.133 ( -1.130 0.000 0.841) 1.408 2.142 ( -0.127 0.000 0.086) 0.154 2.171 ( -4.290 0.000 4.204) 6.006 2.257 ( -0.732 0.000 -5.085) 5.137 2.445 ( -2.300 0.000 -2.089) 3.107 2.482 ( 1.855 0.000 6.301) 6.568 2.609 ( 0.873 0.000 -1.596) 1.819 2.794 ( -10.019 0.000 0.703) 10.044 2.873 ( -1.135 0.000 0.047) 1.135 2.929 ( -0.791 0.000 -1.548) 1.738 3.101 ( 2.486 0.000 -8.343) 8.705 3.175 ( -5.383 0.000 6.831) 8.697 3.187 ( -0.302 0.000 -7.737) 7.742 3.275 ( -6.520 0.000 -2.236) 6.893 3.376 ( 5.312 0.000 -3.907) 6.595 3.635 ( -2.835 0.000 1.325) 3.129 3.964 ( -6.801 0.000 -2.862) 7.378 3.980 ( -4.588 0.000 1.083) 4.714 4.123 ( -4.640 0.000 2.671) 5.354 4.269 ( -4.006 0.000 -0.191) 4.010 4.426 ( 3.603 0.000 1.864) 4.057 4.647 ( 0.372 0.000 3.063) 3.085 4.861 ( 7.409 0.000 -4.729) 8.789 4.898 ( 2.570 0.000 -7.730) 8.146 5.068 ( -1.064 0.000 -0.278) 1.100 5.152 ( 5.847 0.000 2.657) 6.423 5.279 ( -0.417 0.000 4.257) 4.277 5.312 ( 4.695 0.000 3.526) 5.871 5.495 ( 1.299 0.000 1.211) 1.776 5.692 ( 2.422 0.000 4.879) 5.447 6.034 ( 6.155 0.000 -4.374) 7.551 6.055 ( 3.032 0.000 -1.334) 3.313 6.244 ( 7.378 0.000 -0.346) 7.386 6.255 ( -0.899 0.000 3.486) 3.600 6.464 ( 4.088 0.000 0.514) 4.121 6.536 ( 3.655 0.000 3.273) 4.907 6.583 ( 14.275 0.000 -1.237) 14.328 6.631 ( -0.162 0.000 -2.527) 2.532 6.721 ( -0.996 0.000 -1.140) 1.514 6.912 ( -0.014 0.000 2.236) 2.237 7.031 ( 1.608 0.000 1.310) 2.075 7.156 ( 2.392 0.000 2.932) 3.784 7.314 ( -10.955 0.000 2.637) 11.268 7.322 ( -8.260 0.000 -2.170) 8.540 7.462 ( 1.848 0.000 -6.879) 7.123 7.595 ( -0.104 0.000 -6.974) 6.975 7.782 ( -3.153 0.000 -1.702) 3.583 7.820 ( 5.029 0.000 -2.885) 5.797 8.183 ( -13.973 0.000 -3.386) 14.377 8.468 ( -1.404 0.000 5.535) 5.711 8.572 ( 5.924 0.000 12.338) 13.687 8.667 ( -0.310 0.000 1.535) 1.566 8.841 ( 1.427 0.000 1.394) 1.995 9.092 ( -6.420 0.000 3.274) 7.207 9.167 ( -1.818 0.000 -1.703) 2.491 9.245 ( -1.482 0.000 3.704) 3.990 9.471 ( -4.420 0.000 -0.533) 4.452 9.712 ( -1.049 0.000 -0.512) 1.167 9.774 ( 0.236 0.000 -2.213) 2.226 10.026 ( 3.934 0.000 -5.014) 6.373 10.067 ( 5.824 0.000 -4.096) 7.120 10.398 ( 2.136 0.000 4.740) 5.200 10.421 ( 6.850 0.000 0.316) 6.857 11.189 ( 2.745 0.000 -0.527) 2.795 11.236 ( -3.845 0.000 1.994) 4.332 11.298 ( -1.271 0.000 -0.531) 1.378 11.675 ( 0.177 0.000 -5.506) 5.509 12.062 ( -4.280 0.000 3.460) 5.504 12.202 ( -2.305 0.000 0.005) 2.305 12.415 ( 1.678 0.000 -0.976) 1.941 12.597 ( -1.603 0.000 -1.603) 2.267 12.677 ( 0.894 0.000 8.614) 8.660 12.791 ( 1.370 0.000 2.973) 3.274 13.474 ( 3.296 0.000 1.337) 3.557 13.702 ( 7.702 0.000 6.271) 9.932 13.756 ( 0.505 0.000 7.729) 7.745 13.798 ( 2.275 0.000 2.153) 3.132 13.999 ( 1.535 0.000 2.566) 2.990 14.368 ( 7.784 0.000 -4.072) 8.785 14.531 ( -1.932 0.000 -1.520) 2.458 14.803 ( 17.111 0.000 2.985) 17.369 14.898 ( -10.379 0.000 -8.841) 13.634 15.087 ( -16.834 0.000 9.663) 19.410 15.264 ( -12.894 0.000 -0.389) 12.900 16.059 ( 4.571 0.000 -11.137) 12.039 16.461 ( -1.750 0.000 -0.806) 1.927 16.489 ( 0.834 0.000 -3.671) 3.764 16.578 ( -4.198 0.000 -2.560) 4.917 17.156 ( -2.493 0.000 -4.322) 4.990 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 3.238 0.000 -8.348) 8.954 1.201 ( -2.728 0.000 1.764) 3.248 1.366 ( -7.724 0.000 3.899) 8.652 1.471 ( 15.136 0.000 -4.806) 15.881 1.518 ( -6.600 0.000 -18.878) 19.999 1.630 ( 9.432 0.000 -2.718) 9.816 1.742 ( -5.038 0.000 -0.615) 5.076 2.053 ( -8.779 0.000 -4.927) 10.067 2.167 ( -1.724 0.000 -0.977) 1.982 2.214 ( 3.718 0.000 2.379) 4.414 2.343 ( 7.056 0.000 12.713) 14.540 2.380 ( -1.475 0.000 -0.294) 1.505 2.576 ( 2.525 0.000 3.054) 3.962 2.583 ( -2.878 0.000 0.600) 2.940 2.710 ( -3.769 0.000 1.675) 4.125 2.862 ( 1.007 0.000 -1.508) 1.814 2.884 ( -1.080 0.000 -3.261) 3.435 3.031 ( -1.317 0.000 -5.408) 5.566 3.102 ( 3.376 0.000 -8.518) 9.163 3.140 ( -5.586 0.000 1.538) 5.794 3.163 ( -4.334 0.000 -1.961) 4.757 3.424 ( 7.939 0.000 -5.808) 9.837 3.622 ( 0.749 0.000 -0.324) 0.816 3.793 ( -5.971 0.000 -7.095) 9.273 3.947 ( -2.012 0.000 2.109) 2.915 4.072 ( -6.355 0.000 4.671) 7.887 4.267 ( 2.789 0.000 0.232) 2.798 4.500 ( 0.483 0.000 4.424) 4.450 4.697 ( 2.120 0.000 -0.067) 2.121 4.865 ( 4.018 0.000 -4.572) 6.087 4.898 ( 3.809 0.000 -5.008) 6.292 5.030 ( -1.115 0.000 -2.519) 2.754 5.254 ( 1.976 0.000 5.861) 6.185 5.283 ( -5.704 0.000 4.342) 7.169 5.455 ( 6.471 0.000 3.984) 7.599 5.519 ( 0.183 0.000 0.522) 0.553 5.762 ( -0.782 0.000 4.751) 4.815 6.014 ( -0.991 0.000 -4.933) 5.032 6.115 ( 4.825 0.000 1.422) 5.030 6.273 ( -2.900 0.000 3.770) 4.756 6.296 ( -1.371 0.000 -1.811) 2.271 6.452 ( -0.381 0.000 -1.621) 1.665 6.615 ( 1.781 0.000 -2.621) 3.169 6.674 ( 4.819 0.000 4.309) 6.465 6.678 ( -1.670 0.000 -2.497) 3.004 6.763 ( 9.457 0.000 -0.425) 9.466 6.912 ( -4.260 0.000 2.965) 5.190 7.052 ( 1.723 0.000 -0.571) 1.815 7.126 ( -7.510 0.000 -4.247) 8.628 7.156 ( -9.175 0.000 4.115) 10.056 7.242 ( -0.386 0.000 0.775) 0.866 7.475 ( 7.175 0.000 -4.774) 8.618 7.543 ( 3.118 0.000 -4.637) 5.588 7.681 ( -3.963 0.000 -4.553) 6.036 7.913 ( 8.683 0.000 -0.929) 8.733 7.945 ( -10.657 0.000 -3.171) 11.118 8.575 ( 3.575 0.000 7.793) 8.574 8.680 ( -1.911 0.000 3.213) 3.738 8.773 ( 4.326 0.000 6.151) 7.520 8.837 ( -2.657 0.000 -0.774) 2.767 9.044 ( -4.222 0.000 4.043) 5.846 9.150 ( 1.058 0.000 1.331) 1.700 9.275 ( -1.292 0.000 4.144) 4.341 9.386 ( -3.018 0.000 -3.411) 4.555 9.684 ( -1.686 0.000 -0.518) 1.763 9.740 ( -1.192 0.000 -1.889) 2.234 10.008 ( 1.016 0.000 -4.243) 4.363 10.080 ( 2.523 0.000 -4.810) 5.431 10.454 ( -1.382 0.000 3.516) 3.778 10.500 ( 2.310 0.000 0.784) 2.440 11.206 ( -2.457 0.000 1.994) 3.165 11.246 ( 3.327 0.000 1.503) 3.651 11.280 ( -0.342 0.000 -0.506) 0.610 11.562 ( -3.530 0.000 -7.398) 8.197 12.057 ( -1.565 0.000 3.286) 3.640 12.203 ( 2.187 0.000 -0.012) 2.187 12.442 ( 2.047 0.000 0.347) 2.076 12.552 ( -1.441 0.000 -2.186) 2.618 12.755 ( -1.080 0.000 5.425) 5.531 12.843 ( 1.724 0.000 1.500) 2.285 13.597 ( 5.974 0.000 6.967) 9.178 13.803 ( 0.259 0.000 -0.160) 0.305 13.845 ( -0.624 0.000 6.734) 6.762 13.929 ( 1.274 0.000 5.228) 5.381 14.162 ( 9.831 0.000 16.506) 19.212 14.423 ( -6.496 0.000 -2.410) 6.929 14.423 ( 6.384 0.000 -3.576) 7.318 14.654 ( -10.577 0.000 -4.639) 11.550 14.906 ( -15.787 0.000 4.165) 16.327 15.070 ( -11.971 0.000 -1.181) 12.030 15.147 ( 21.734 0.000 2.368) 21.863 15.982 ( 7.728 0.000 -19.713) 21.174 16.418 ( -1.872 0.000 -1.582) 2.451 16.444 ( 0.387 0.000 -4.180) 4.198 16.547 ( -1.523 0.000 4.052) 4.329 17.044 ( -2.496 0.000 -7.466) 7.872 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 2.128 0.000 -0.620) 2.216 1.111 ( -1.763 0.000 -7.937) 8.131 1.185 ( -6.053 0.000 -13.935) 15.193 1.260 ( -15.102 0.000 2.955) 15.388 1.574 ( -0.398 0.000 -1.943) 1.984 1.741 ( -0.187 0.000 0.195) 0.270 1.820 ( 10.071 0.000 3.570) 10.685 1.841 ( -0.599 0.000 -4.356) 4.397 2.141 ( -1.941 0.000 2.137) 2.887 2.264 ( 3.408 0.000 -4.790) 5.879 2.475 ( 10.854 0.000 3.215) 11.320 2.543 ( -4.490 0.000 2.223) 5.010 2.553 ( 2.919 0.000 3.845) 4.828 2.655 ( 5.189 0.000 3.267) 6.132 2.681 ( -0.024 0.000 -1.552) 1.552 2.841 ( -0.551 0.000 -1.223) 1.341 2.886 ( 4.455 0.000 -0.896) 4.544 2.950 ( -1.780 0.000 -2.669) 3.208 3.030 ( -4.595 0.000 -4.757) 6.614 3.102 ( 6.028 0.000 -4.896) 7.766 3.123 ( -1.074 0.000 0.943) 1.429 3.464 ( 5.194 0.000 -4.680) 6.991 3.674 ( 0.669 0.000 -4.470) 4.520 3.677 ( 6.530 0.000 0.979) 6.603 3.973 ( 1.576 0.000 2.877) 3.281 4.061 ( -4.307 0.000 7.414) 8.575 4.332 ( 4.501 0.000 0.411) 4.520 4.538 ( -2.767 0.000 5.324) 6.000 4.677 ( 1.860 0.000 -7.047) 7.289 4.847 ( -0.683 0.000 -7.056) 7.089 4.934 ( 5.201 0.000 1.924) 5.546 4.977 ( -0.372 0.000 -5.070) 5.084 5.207 ( -10.186 0.000 3.787) 10.867 5.358 ( 0.310 0.000 8.079) 8.085 5.502 ( -1.663 0.000 -1.784) 2.439 5.568 ( 4.257 0.000 0.126) 4.259 5.765 ( -5.124 0.000 2.617) 5.753 5.916 ( -4.482 0.000 -3.405) 5.629 6.160 ( -8.459 0.000 -5.703) 10.202 6.222 ( 1.540 0.000 4.660) 4.908 6.257 ( -0.671 0.000 2.175) 2.276 6.416 ( -4.236 0.000 -0.532) 4.269 6.568 ( -5.294 0.000 -1.753) 5.577 6.610 ( -3.166 0.000 -2.568) 4.077 6.760 ( 2.755 0.000 -0.034) 2.755 6.843 ( 2.151 0.000 -1.254) 2.490 6.894 ( -1.495 0.000 5.400) 5.603 7.026 ( -8.095 0.000 3.841) 8.960 7.080 ( 3.385 0.000 0.788) 3.475 7.164 ( 7.760 0.000 0.949) 7.818 7.219 ( -0.435 0.000 -2.310) 2.350 7.531 ( 1.283 0.000 -3.292) 3.533 7.581 ( 2.628 0.000 1.860) 3.220 7.581 ( 4.795 0.000 -7.230) 8.675 7.800 ( -3.114 0.000 -3.398) 4.609 8.053 ( 8.973 0.000 1.208) 9.054 8.663 ( -3.589 0.000 1.376) 3.844 8.723 ( 3.074 0.000 7.338) 7.956 8.761 ( -3.822 0.000 -1.639) 4.158 8.856 ( 2.713 0.000 0.153) 2.717 9.073 ( 0.027 0.000 6.188) 6.188 9.241 ( 4.963 0.000 5.228) 7.208 9.283 ( -2.637 0.000 1.712) 3.144 9.309 ( -1.922 0.000 -3.170) 3.707 9.650 ( -2.235 0.000 -0.012) 2.235 9.701 ( -1.884 0.000 -0.544) 1.961 9.967 ( -0.620 0.000 -2.924) 2.989 10.029 ( -1.595 0.000 -5.352) 5.584 10.436 ( -5.000 0.000 1.828) 5.323 10.505 ( -2.847 0.000 0.913) 2.990 11.205 ( -0.528 0.000 1.876) 1.949 11.263 ( -1.637 0.000 -1.150) 2.001 11.329 ( 3.165 0.000 3.981) 5.086 11.436 ( -1.268 0.000 -5.712) 5.852 12.088 ( 0.843 0.000 2.926) 3.045 12.260 ( 5.860 0.000 -1.177) 5.977 12.481 ( 1.870 0.000 1.044) 2.141 12.502 ( -1.330 0.000 -2.594) 2.915 12.789 ( -0.794 0.000 3.322) 3.415 12.876 ( 1.441 0.000 -0.003) 1.441 13.712 ( -8.026 0.000 -4.182) 9.050 13.791 ( 5.982 0.000 8.998) 10.805 13.869 ( -2.513 0.000 1.017) 2.711 14.004 ( 2.594 0.000 4.400) 5.107 14.293 ( -6.732 0.000 -3.906) 7.783 14.429 ( 8.369 0.000 -1.474) 8.498 14.512 ( -7.950 0.000 7.682) 11.055 14.620 ( 6.289 0.000 19.069) 20.079 14.718 ( -11.793 0.000 2.808) 12.123 14.863 ( -12.335 0.000 -0.672) 12.353 15.486 ( 20.986 0.000 -4.423) 21.447 15.817 ( 8.550 0.000 -27.665) 28.956 16.372 ( -1.750 0.000 -1.395) 2.238 16.432 ( 1.719 0.000 -0.866) 1.925 16.607 ( -0.264 0.000 8.565) 8.569 16.922 ( -0.960 0.000 -8.112) 8.169 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -13.743 0.000 -4.358) 14.417 0.853 ( -3.343 0.000 -16.154) 16.496 1.032 ( -16.011 0.000 2.919) 16.275 1.239 ( 15.222 0.000 -0.716) 15.239 1.430 ( -13.973 0.000 5.199) 14.909 1.721 ( -1.450 0.000 7.780) 7.914 1.957 ( 9.828 0.000 0.493) 9.840 1.997 ( 6.543 0.000 2.094) 6.870 2.175 ( 0.318 0.000 5.844) 5.852 2.235 ( 2.139 0.000 -7.203) 7.514 2.483 ( -3.522 0.000 -0.034) 3.522 2.554 ( -0.963 0.000 -8.755) 8.808 2.582 ( 1.786 0.000 -1.285) 2.200 2.716 ( 2.732 0.000 -5.271) 5.937 2.808 ( 15.718 0.000 1.215) 15.765 2.845 ( 2.231 0.000 0.708) 2.341 2.889 ( 0.199 0.000 -1.536) 1.548 2.942 ( -1.520 0.000 0.141) 1.526 3.031 ( 5.533 0.000 6.347) 8.420 3.144 ( 1.921 0.000 1.950) 2.737 3.152 ( 5.892 0.000 -2.607) 6.443 3.494 ( 4.131 0.000 -2.120) 4.643 3.703 ( 4.502 0.000 0.622) 4.545 3.833 ( 8.536 0.000 4.840) 9.812 4.050 ( 3.360 0.000 2.926) 4.456 4.108 ( -0.424 0.000 6.798) 6.811 4.393 ( 2.288 0.000 -0.264) 2.303 4.544 ( -4.290 0.000 4.892) 6.507 4.623 ( 2.601 0.000 -6.868) 7.344 4.742 ( -0.010 0.000 -8.139) 8.139 4.901 ( -0.710 0.000 -6.113) 6.154 5.023 ( 2.323 0.000 1.725) 2.894 5.067 ( -11.450 0.000 2.023) 11.627 5.416 ( -4.562 0.000 4.762) 6.595 5.430 ( -3.140 0.000 -3.725) 4.872 5.570 ( -0.418 0.000 -3.986) 4.007 5.656 ( -11.779 0.000 1.460) 11.869 5.811 ( -4.825 0.000 -2.437) 5.405 5.960 ( -8.128 0.000 -4.600) 9.340 6.218 ( -0.666 0.000 0.227) 0.704 6.298 ( -11.956 0.000 0.425) 11.964 6.356 ( 2.583 0.000 4.397) 5.099 6.461 ( -2.742 0.000 -3.034) 4.089 6.536 ( -1.827 0.000 -2.317) 2.950 6.778 ( 0.775 0.000 -0.706) 1.048 6.807 ( -4.191 0.000 -1.069) 4.325 6.961 ( -4.640 0.000 1.365) 4.837 6.969 ( 2.221 0.000 4.230) 4.777 7.189 ( 4.252 0.000 4.348) 6.081 7.191 ( 1.935 0.000 -1.466) 2.428 7.353 ( 10.681 0.000 3.344) 11.192 7.447 ( 0.764 0.000 -6.357) 6.403 7.625 ( -0.672 0.000 2.472) 2.562 7.667 ( 10.375 0.000 -3.426) 10.926 7.764 ( 1.535 0.000 -1.448) 2.110 8.208 ( 7.497 0.000 3.319) 8.199 8.622 ( -1.561 0.000 -0.469) 1.630 8.681 ( -4.301 0.000 0.268) 4.309 8.858 ( 2.999 0.000 6.215) 6.901 8.889 ( 2.291 0.000 -0.277) 2.308 9.158 ( -0.800 0.000 2.158) 2.301 9.242 ( -3.403 0.000 -1.721) 3.813 9.253 ( 0.410 0.000 3.839) 3.861 9.400 ( 8.494 0.000 3.443) 9.165 9.624 ( -1.598 0.000 1.187) 1.991 9.673 ( -2.057 0.000 1.050) 2.309 9.905 ( -6.154 0.000 -5.357) 8.159 9.926 ( -1.138 0.000 -1.862) 2.183 10.346 ( -8.028 0.000 0.054) 8.028 10.442 ( -6.283 0.000 0.730) 6.325 11.184 ( -4.634 0.000 -2.666) 5.346 11.232 ( 0.954 0.000 1.984) 2.202 11.413 ( 3.194 0.000 -2.355) 3.969 11.432 ( 2.804 0.000 5.611) 6.272 12.151 ( 2.776 0.000 3.091) 4.155 12.346 ( 8.104 0.000 -2.767) 8.563 12.454 ( -0.619 0.000 -2.728) 2.798 12.521 ( 1.413 0.000 1.417) 2.001 12.814 ( -0.195 0.000 2.126) 2.135 12.890 ( 0.725 0.000 -0.324) 0.794 13.507 ( -10.429 0.000 -4.733) 11.453 13.806 ( -3.992 0.000 -1.877) 4.411 13.954 ( 2.944 0.000 5.026) 5.825 14.093 ( 3.105 0.000 1.755) 3.566 14.141 ( -4.495 0.000 -4.882) 6.636 14.485 ( -1.906 0.000 -9.838) 10.021 14.540 ( -5.172 0.000 4.613) 6.930 14.551 ( -2.186 0.000 7.696) 8.000 14.637 ( -11.288 0.000 -0.871) 11.321 15.032 ( 3.393 0.000 24.760) 24.992 15.425 ( 4.432 0.000 -27.020) 27.381 15.872 ( 19.682 0.000 -6.525) 20.735 16.336 ( -1.449 0.000 -0.452) 1.518 16.466 ( 2.869 0.000 0.310) 2.886 16.742 ( 1.167 0.000 13.555) 13.605 16.839 ( 1.660 0.000 -6.612) 6.818 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -15.475 0.000 3.353) 15.834 0.647 ( -11.437 0.000 -0.805) 11.465 0.967 ( 0.407 0.000 10.305) 10.313 1.316 ( -23.081 0.000 24.125) 33.388 1.546 ( 24.410 0.000 -1.992) 24.492 1.849 ( 4.754 0.000 6.231) 7.837 2.083 ( 3.972 0.000 -0.179) 3.976 2.108 ( 7.480 0.000 1.317) 7.595 2.158 ( 1.241 0.000 -10.317) 10.392 2.248 ( -0.548 0.000 5.766) 5.792 2.357 ( -1.453 0.000 -15.030) 15.100 2.470 ( -1.300 0.000 0.957) 1.614 2.581 ( 0.447 0.000 -4.782) 4.803 2.673 ( 2.446 0.000 -4.093) 4.768 2.886 ( 2.852 0.000 1.327) 3.145 2.899 ( 2.023 0.000 -0.135) 2.028 2.944 ( 2.715 0.000 0.610) 2.782 3.067 ( 7.869 0.000 4.446) 9.038 3.162 ( 2.061 0.000 4.323) 4.789 3.214 ( 4.104 0.000 -0.642) 4.153 3.245 ( 6.322 0.000 3.992) 7.477 3.532 ( 2.938 0.000 -0.051) 2.939 3.780 ( 0.396 0.000 5.357) 5.372 4.017 ( 5.272 0.000 5.918) 7.926 4.117 ( 0.359 0.000 2.368) 2.395 4.211 ( 6.786 0.000 2.645) 7.283 4.375 ( 0.110 0.000 -4.384) 4.385 4.513 ( -3.472 0.000 0.896) 3.586 4.624 ( 3.943 0.000 -1.797) 4.333 4.703 ( 3.351 0.000 -2.759) 4.340 4.815 ( -1.204 0.000 -6.114) 6.232 4.888 ( -11.192 0.000 0.776) 11.219 5.079 ( 1.628 0.000 0.693) 1.769 5.288 ( -11.116 0.000 -2.529) 11.400 5.326 ( -4.043 0.000 -4.507) 6.054 5.468 ( -13.061 0.000 1.082) 13.105 5.528 ( -1.649 0.000 -0.438) 1.707 5.664 ( -9.729 0.000 -10.909) 14.618 5.808 ( -7.923 0.000 0.427) 7.935 6.082 ( -12.767 0.000 -0.028) 12.767 6.215 ( 1.755 0.000 -3.149) 3.605 6.386 ( -1.766 0.000 0.073) 1.767 6.425 ( 0.857 0.000 -1.876) 2.062 6.523 ( 1.420 0.000 -0.373) 1.468 6.718 ( -4.468 0.000 -2.012) 4.900 6.778 ( -0.093 0.000 0.093) 0.132 6.914 ( -2.426 0.000 0.490) 2.475 7.024 ( -0.116 0.000 1.053) 1.059 7.228 ( 0.607 0.000 -3.538) 3.589 7.229 ( 2.961 0.000 0.080) 2.962 7.478 ( 6.344 0.000 1.240) 6.464 7.527 ( 6.645 0.000 0.724) 6.685 7.648 ( 0.841 0.000 3.650) 3.746 7.777 ( -0.821 0.000 1.827) 2.003 7.800 ( 10.299 0.000 -1.933) 10.479 8.343 ( 4.523 0.000 2.114) 4.993 8.632 ( -4.230 0.000 1.018) 4.350 8.633 ( 3.904 0.000 0.051) 3.905 8.859 ( -3.671 0.000 -10.123) 10.768 8.912 ( 1.544 0.000 -2.888) 3.275 9.126 ( -0.919 0.000 6.120) 6.189 9.179 ( -2.817 0.000 1.468) 3.176 9.477 ( 10.782 0.000 14.541) 18.102 9.544 ( 6.462 0.000 -2.963) 7.109 9.640 ( 1.751 0.000 1.407) 2.246 9.652 ( -4.525 0.000 3.139) 5.507 9.754 ( -4.276 0.000 -1.617) 4.572 9.888 ( -1.024 0.000 -1.787) 2.059 10.197 ( -10.109 0.000 -1.416) 10.208 10.335 ( -7.968 0.000 -0.294) 7.974 11.097 ( -2.995 0.000 -1.116) 3.196 11.274 ( 1.204 0.000 1.863) 2.218 11.443 ( 3.023 0.000 -1.528) 3.388 11.527 ( 1.153 0.000 2.915) 3.135 12.245 ( 4.225 0.000 3.698) 5.615 12.412 ( 2.447 0.000 -3.058) 3.916 12.450 ( 7.172 0.000 -3.492) 7.978 12.556 ( 0.607 0.000 1.824) 1.922 12.825 ( -0.537 0.000 0.331) 0.631 12.885 ( -0.600 0.000 -1.844) 1.939 13.321 ( -8.000 0.000 -1.338) 8.111 13.725 ( -3.481 0.000 -1.940) 3.985 13.911 ( -9.933 0.000 -18.873) 21.328 14.025 ( -7.018 0.000 -9.267) 11.625 14.084 ( -0.053 0.000 -8.464) 8.464 14.225 ( -8.843 0.000 -12.331) 15.174 14.349 ( -6.411 0.000 -0.740) 6.453 14.480 ( -5.621 0.000 1.387) 5.789 14.666 ( 1.060 0.000 8.020) 8.090 15.329 ( -0.760 0.000 22.514) 22.527 15.499 ( 15.648 0.000 14.814) 21.548 16.051 ( 15.374 0.000 -10.653) 18.704 16.320 ( -0.865 0.000 0.973) 1.302 16.525 ( 3.737 0.000 1.131) 3.905 16.823 ( 4.146 0.000 -3.802) 5.626 16.976 ( 6.601 0.000 17.058) 18.291 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -7.743 0.000 13.443) 15.514 0.635 ( 1.202 0.000 24.069) 24.099 1.230 ( 8.427 0.000 18.540) 20.366 1.317 ( -19.808 0.000 33.966) 39.320 1.866 ( 18.432 0.000 -2.846) 18.650 1.967 ( -1.109 0.000 2.208) 2.471 2.035 ( 2.026 0.000 -7.369) 7.643 2.100 ( 1.114 0.000 -3.272) 3.457 2.127 ( 0.976 0.000 -7.560) 7.623 2.288 ( 10.288 0.000 -6.068) 11.944 2.297 ( -1.376 0.000 3.529) 3.788 2.461 ( -1.380 0.000 -1.361) 1.938 2.496 ( 1.813 0.000 -8.653) 8.840 2.716 ( 5.169 0.000 -0.576) 5.201 2.942 ( 2.090 0.000 1.732) 2.714 2.967 ( 6.339 0.000 3.572) 7.276 3.024 ( 3.679 0.000 3.480) 5.064 3.164 ( -6.244 0.000 1.839) 6.509 3.187 ( 3.980 0.000 -0.107) 3.982 3.246 ( -0.178 0.000 1.059) 1.074 3.388 ( 5.915 0.000 5.471) 8.057 3.624 ( 8.209 0.000 2.023) 8.454 3.851 ( -2.548 0.000 9.681) 10.011 4.024 ( -11.456 0.000 2.191) 11.663 4.143 ( 0.637 0.000 0.619) 0.888 4.339 ( 6.730 0.000 -3.109) 7.414 4.407 ( 12.230 0.000 -1.786) 12.360 4.467 ( -2.513 0.000 -2.521) 3.560 4.675 ( -4.565 0.000 -5.447) 7.107 4.677 ( 2.509 0.000 1.659) 3.008 4.759 ( -2.498 0.000 0.492) 2.546 4.781 ( -3.753 0.000 1.961) 4.234 5.094 ( -12.584 0.000 -1.881) 12.724 5.102 ( 0.732 0.000 0.325) 0.801 5.205 ( -3.910 0.000 -4.607) 6.043 5.225 ( -19.400 0.000 -7.198) 20.692 5.336 ( -4.721 0.000 1.189) 4.869 5.492 ( -1.854 0.000 -0.913) 2.066 5.740 ( -4.643 0.000 2.978) 5.516 5.980 ( -3.742 0.000 3.041) 4.822 6.177 ( 0.031 0.000 -5.885) 5.886 6.340 ( -0.048 0.000 -4.914) 4.914 6.423 ( 0.913 0.000 -1.426) 1.693 6.531 ( -0.706 0.000 -0.061) 0.709 6.646 ( -2.328 0.000 -0.316) 2.349 6.779 ( 0.619 0.000 -0.856) 1.056 6.895 ( 0.384 0.000 -1.696) 1.738 6.986 ( -2.190 0.000 -3.385) 4.031 7.191 ( 1.368 0.000 -3.808) 4.047 7.253 ( -0.726 0.000 0.510) 0.887 7.562 ( 0.500 0.000 -2.214) 2.269 7.601 ( 4.425 0.000 4.228) 6.120 7.733 ( 2.329 0.000 3.827) 4.480 7.803 ( -0.130 0.000 5.691) 5.692 7.903 ( 5.764 0.000 -3.076) 6.533 8.312 ( -11.422 0.000 -5.219) 12.558 8.472 ( -5.141 0.000 -4.220) 6.652 8.706 ( 2.006 0.000 -2.850) 3.485 8.793 ( 4.503 0.000 0.802) 4.574 8.871 ( 2.473 0.000 -1.213) 2.754 9.204 ( -2.409 0.000 8.607) 8.938 9.228 ( 3.803 0.000 3.472) 5.150 9.437 ( -9.196 0.000 -2.220) 9.460 9.678 ( 2.164 0.000 1.383) 2.568 9.708 ( 6.420 0.000 -0.657) 6.453 9.766 ( 2.562 0.000 0.583) 2.628 9.784 ( 9.427 0.000 2.516) 9.757 9.851 ( -0.556 0.000 -2.431) 2.494 10.013 ( -10.480 0.000 -2.067) 10.682 10.195 ( -8.047 0.000 -2.142) 8.327 11.076 ( 0.180 0.000 1.152) 1.166 11.302 ( -0.460 0.000 0.967) 1.071 11.427 ( -12.590 0.000 -4.818) 13.480 11.461 ( 1.693 0.000 -1.625) 2.347 12.344 ( 2.932 0.000 1.134) 3.144 12.413 ( 2.166 0.000 -2.045) 2.979 12.521 ( 7.100 0.000 -4.492) 8.401 12.581 ( -0.728 0.000 1.873) 2.009 12.755 ( -5.758 0.000 -9.847) 11.407 12.797 ( -1.869 0.000 -1.744) 2.556 13.260 ( -1.637 0.000 4.253) 4.558 13.359 ( -12.511 0.000 0.751) 12.534 13.692 ( -1.092 0.000 0.897) 1.413 13.939 ( -1.831 0.000 -1.672) 2.480 13.962 ( 0.267 0.000 -9.940) 9.944 14.175 ( 0.925 0.000 -0.089) 0.930 14.211 ( -6.897 0.000 -4.022) 7.984 14.491 ( -1.207 0.000 4.110) 4.283 14.764 ( -1.893 0.000 10.439) 10.609 15.541 ( -4.497 0.000 21.013) 21.489 15.954 ( 18.561 0.000 6.879) 19.794 16.088 ( 9.200 0.000 -14.824) 17.447 16.333 ( -0.037 0.000 2.467) 2.468 16.595 ( 3.524 0.000 0.380) 3.545 16.873 ( 5.365 0.000 -0.412) 5.381 17.290 ( 11.551 0.000 5.080) 12.619 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 3.322 6.303 15.588) 17.139 0.976 ( -6.623 8.542 19.512) 22.306 1.512 ( 0.512 -5.346 12.239) 13.365 1.617 ( -1.474 6.978 18.137) 19.489 1.785 ( 0.713 2.485 -4.458) 5.153 1.924 ( -3.442 -10.675 4.990) 12.276 1.962 ( 8.957 -4.710 -0.249) 10.123 2.089 ( 2.684 -1.622 -7.163) 7.819 2.149 ( 1.140 -0.707 3.740) 3.973 2.297 ( -0.646 -2.817 -1.738) 3.373 2.370 ( 2.929 4.405 1.882) 5.614 2.474 ( 6.278 5.584 -6.358) 10.536 2.484 ( 0.819 3.380 -9.268) 9.899 2.790 ( 4.748 -2.084 3.568) 6.295 2.995 ( 0.902 -2.309 5.658) 6.177 3.018 ( -6.736 -4.336 4.485) 9.181 3.057 ( -1.519 -0.660 2.934) 3.369 3.168 ( 1.196 -1.334 -6.519) 6.760 3.219 ( 2.946 4.878 0.675) 5.738 3.289 ( -0.608 1.773 1.710) 2.537 3.613 ( 16.701 2.229 0.921) 16.874 3.769 ( 0.844 -1.414 1.953) 2.555 3.819 ( -7.198 1.027 -1.898) 7.514 3.965 ( -6.196 5.388 5.975) 10.155 4.091 ( -7.650 -4.020 3.006) 9.149 4.225 ( -6.345 -2.701 -8.543) 10.979 4.364 ( -4.812 1.088 -3.823) 6.241 4.493 ( 6.178 -1.762 -0.667) 6.459 4.533 ( -7.497 -0.547 -1.043) 7.589 4.700 ( 3.824 -0.642 1.986) 4.356 4.764 ( 1.093 -0.418 0.181) 1.184 4.785 ( 5.350 -0.034 3.209) 6.238 4.944 ( -5.358 -0.219 2.226) 5.806 5.010 ( 0.779 -3.539 2.420) 4.357 5.137 ( -0.035 1.269 -3.328) 3.562 5.241 ( 1.311 1.676 -2.000) 2.920 5.350 ( 3.721 1.561 0.198) 4.040 5.464 ( 4.162 -1.043 -2.436) 4.934 5.750 ( -0.640 1.629 3.284) 3.721 5.961 ( 1.587 -3.681 1.743) 4.371 6.111 ( -0.327 1.344 -5.831) 5.993 6.256 ( -0.964 -1.686 -6.898) 7.166 6.418 ( -1.196 0.820 -1.130) 1.839 6.483 ( -1.540 -1.118 -1.432) 2.382 6.650 ( -0.432 1.114 2.833) 3.075 6.744 ( -1.660 -1.250 0.067) 2.079 6.864 ( 2.330 -0.636 -4.059) 4.723 6.932 ( 0.847 0.800 -4.311) 4.466 7.208 ( 2.132 0.977 -0.677) 2.441 7.284 ( -2.401 3.124 -2.000) 4.418 7.546 ( -1.538 3.020 0.408) 3.414 7.711 ( 0.512 1.527 2.326) 2.829 7.787 ( 1.220 -2.289 2.691) 3.738 7.841 ( 1.074 -1.532 1.649) 2.494 7.885 ( -2.361 -1.102 2.160) 3.385 8.074 ( -6.321 -2.409 -2.034) 7.063 8.461 ( 0.979 2.398 -1.751) 3.127 8.579 ( -4.258 -0.652 -5.594) 7.061 8.818 ( 3.888 -5.090 3.268) 7.191 8.921 ( 5.602 -6.175 1.468) 8.466 9.246 ( -3.192 1.651 7.551) 8.363 9.282 ( -5.981 1.365 6.540) 8.967 9.429 ( 4.367 2.055 2.922) 5.642 9.634 ( 0.030 -3.123 0.894) 3.249 9.748 ( -3.129 -0.214 -2.202) 3.832 9.770 ( -2.180 -0.643 -0.968) 2.470 9.842 ( 1.017 2.132 -3.817) 4.489 9.870 ( 3.716 1.535 -0.292) 4.031 9.901 ( -2.378 1.847 -1.388) 3.315 10.080 ( -2.945 0.299 -6.465) 7.111 11.122 ( 2.645 -0.003 2.332) 3.526 11.181 ( -3.978 -1.227 0.120) 4.165 11.349 ( -1.158 1.586 1.057) 2.230 11.452 ( 0.760 -0.712 -1.852) 2.125 12.321 ( -1.760 -0.751 0.655) 2.023 12.420 ( 1.528 -0.083 -2.624) 3.037 12.500 ( 2.834 -3.766 -2.399) 5.289 12.542 ( -0.899 -1.327 -1.040) 1.911 12.674 ( -0.064 -0.160 -2.654) 2.659 12.760 ( -1.942 -0.050 -2.249) 2.972 13.381 ( 5.928 1.507 7.976) 10.052 13.412 ( 1.860 1.126 8.472) 8.747 13.783 ( 3.492 3.120 2.178) 5.164 13.878 ( 2.706 -0.471 -6.436) 6.998 13.917 ( -3.750 4.833 -4.039) 7.330 14.166 ( -1.201 6.014 -4.860) 7.825 14.254 ( 0.175 1.970 0.723) 2.105 14.492 ( -3.656 5.508 -2.029) 6.916 14.760 ( -2.968 -9.555 13.926) 17.147 15.457 ( -4.300 -15.762 7.282) 17.887 16.129 ( 1.488 7.327 -6.949) 10.208 16.209 ( 6.610 2.088 -2.317) 7.309 16.423 ( 0.228 5.138 3.927) 6.471 16.673 ( 0.312 4.372 -0.881) 4.470 16.919 ( 5.034 -4.773 3.123) 7.607 17.203 ( -4.573 -9.734 -2.020) 10.942 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -2.832 5.585 13.867) 15.215 1.065 ( -1.957 5.392 17.536) 18.450 1.440 ( -4.470 -0.914 -7.061) 8.407 1.700 ( -3.689 0.561 -1.513) 4.027 1.876 ( 3.708 -0.223 4.728) 6.013 1.924 ( -4.629 -3.407 8.418) 10.193 2.016 ( 0.971 -4.828 1.587) 5.174 2.136 ( 7.805 -3.757 -7.220) 11.276 2.195 ( -2.473 -1.438 -2.050) 3.519 2.297 ( -0.683 4.774 3.788) 6.133 2.325 ( -1.666 0.560 -3.028) 3.501 2.482 ( 3.358 2.280 -4.052) 5.735 2.516 ( 5.118 3.449 4.070) 7.393 2.827 ( -3.136 6.081 -1.029) 6.919 2.986 ( -4.228 -5.452 2.451) 7.322 2.999 ( -4.100 -2.889 -0.273) 5.023 3.065 ( -2.653 -3.064 0.601) 4.097 3.136 ( 0.673 -2.720 5.424) 6.105 3.242 ( -1.087 4.039 0.955) 4.290 3.269 ( -2.759 0.697 0.074) 2.847 3.527 ( -11.196 0.716 -5.611) 12.544 3.757 ( -14.741 -0.775 -1.749) 14.864 3.863 ( 7.072 2.342 2.653) 7.908 3.885 ( -3.418 -0.459 2.389) 4.196 4.145 ( 2.891 -0.992 -0.635) 3.121 4.152 ( 8.422 -0.925 3.876) 9.317 4.263 ( -2.004 1.978 -2.638) 3.859 4.402 ( -3.160 -0.781 -2.095) 3.871 4.579 ( 0.200 0.430 2.956) 2.994 4.745 ( 0.208 2.186 -1.802) 2.841 4.825 ( 4.341 -4.959 1.182) 6.695 4.899 ( -1.751 2.031 2.729) 3.826 4.956 ( 10.845 -1.900 -1.165) 11.071 5.050 ( 0.351 -2.001 2.929) 3.565 5.159 ( 8.016 -0.663 -3.986) 8.977 5.258 ( 5.846 -0.519 -2.196) 6.267 5.407 ( 4.083 1.650 -1.930) 4.808 5.538 ( 9.279 -0.176 -3.367) 9.872 5.818 ( 3.498 1.309 4.419) 5.786 6.000 ( 4.478 -2.818 -4.799) 7.143 6.100 ( 3.275 -0.770 1.579) 3.716 6.180 ( 2.136 -2.401 -5.831) 6.658 6.387 ( -1.530 0.644 -0.241) 1.678 6.423 ( -4.511 0.122 -0.409) 4.531 6.680 ( -0.757 0.418 3.047) 3.168 6.727 ( -0.284 -0.810 0.455) 0.972 6.839 ( 1.262 0.810 -4.059) 4.327 6.933 ( 4.968 2.030 -4.488) 6.996 7.182 ( -4.498 2.619 -1.385) 5.386 7.254 ( 1.806 -0.009 0.246) 1.822 7.538 ( -2.776 2.633 3.504) 5.189 7.722 ( -0.326 0.625 -1.369) 1.540 7.802 ( -1.473 -0.132 2.059) 2.535 7.834 ( -2.295 -0.385 1.161) 2.601 7.949 ( 1.083 -3.927 4.918) 6.386 7.985 ( -2.560 -3.644 -1.546) 4.714 8.479 ( -0.236 0.756 -2.812) 2.921 8.496 ( 3.864 1.733 -0.876) 4.324 8.836 ( -5.000 -4.739 0.936) 6.953 8.941 ( -1.375 -4.527 -2.145) 5.195 9.280 ( -4.368 1.348 6.711) 8.121 9.315 ( -1.044 0.668 6.526) 6.643 9.491 ( -8.524 2.838 -0.706) 9.012 9.589 ( 2.164 1.529 3.060) 4.048 9.604 ( -9.618 0.309 -1.035) 9.678 9.748 ( 1.547 1.486 -0.988) 2.362 9.830 ( 3.035 -0.815 -0.191) 3.148 9.897 ( 4.307 0.314 -3.068) 5.297 9.987 ( 8.638 0.921 0.079) 8.688 10.056 ( 7.145 -0.261 -3.998) 8.191 11.163 ( 0.834 0.448 -0.403) 1.029 11.211 ( 4.766 -0.861 2.677) 5.534 11.342 ( -1.540 1.221 1.162) 2.283 11.441 ( 0.939 -0.994 -1.609) 2.112 12.275 ( -5.120 0.334 0.932) 5.215 12.398 ( -0.634 -0.882 -3.010) 3.200 12.485 ( -1.862 -2.568 -1.739) 3.617 12.512 ( 0.363 -1.294 -1.672) 2.146 12.669 ( 0.384 -1.324 0.176) 1.390 12.724 ( 0.077 -0.505 -1.979) 2.044 13.507 ( 0.687 1.505 4.406) 4.706 13.577 ( 6.736 0.662 5.333) 8.617 13.742 ( -4.054 2.462 -6.543) 8.081 13.870 ( 3.416 2.400 -3.681) 5.566 13.964 ( 8.803 4.500 5.391) 11.261 14.032 ( -3.712 3.637 -8.980) 10.376 14.329 ( -0.556 3.815 1.337) 4.080 14.410 ( 1.986 5.310 0.474) 5.689 14.898 ( -2.856 -10.435 15.832) 19.175 15.413 ( -5.601 -17.289 -1.894) 18.272 16.030 ( -6.345 10.501 -3.443) 12.743 16.236 ( 1.774 0.448 -3.555) 3.998 16.471 ( -0.587 4.189 4.163) 5.935 16.648 ( -0.986 4.013 -1.528) 4.406 17.025 ( -2.209 -6.386 1.989) 7.044 17.051 ( -4.763 -5.059 -0.757) 6.989 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.785 5.750 6.663) 10.532 1.216 ( -0.182 1.902 1.458) 2.403 1.419 ( 5.116 6.333 8.063) 11.458 1.552 ( -8.736 1.586 -5.333) 10.357 1.864 ( -6.573 2.928 -4.469) 8.471 1.950 ( -7.296 -2.683 -5.301) 9.409 1.958 ( 1.888 -4.620 0.994) 5.089 2.124 ( 5.231 -8.196 -2.555) 10.053 2.176 ( 0.184 -5.927 1.613) 6.145 2.245 ( -2.966 2.614 -2.780) 4.833 2.389 ( -0.333 1.352 -0.663) 1.542 2.425 ( 1.256 -2.481 -6.450) 7.024 2.614 ( -2.427 5.598 5.652) 8.317 2.748 ( -5.037 7.422 -1.808) 9.150 2.895 ( -4.563 0.768 4.241) 6.277 2.946 ( -3.855 -2.618 0.933) 4.753 3.103 ( 2.231 -4.187 -0.753) 4.804 3.145 ( -4.581 -2.204 1.577) 5.322 3.210 ( -3.147 4.670 -1.776) 5.905 3.252 ( -0.542 1.070 2.282) 2.578 3.345 ( -4.235 -1.824 -3.494) 5.785 3.547 ( -10.350 -1.535 -1.243) 10.537 3.777 ( -9.776 0.721 2.932) 10.232 3.957 ( -1.796 -0.695 6.261) 6.551 4.142 ( -4.556 0.885 -0.701) 4.694 4.214 ( -2.869 -1.242 3.255) 4.513 4.327 ( 3.400 0.708 2.312) 4.172 4.465 ( 12.798 -0.817 -5.441) 13.931 4.575 ( -0.131 1.929 2.180) 2.914 4.703 ( -1.812 3.281 -1.761) 4.142 4.888 ( 3.026 -4.260 -0.959) 5.312 4.945 ( 4.670 0.561 0.431) 4.723 5.039 ( 1.630 -1.528 -0.093) 2.236 5.104 ( 2.802 -1.776 2.858) 4.379 5.250 ( 7.869 -0.787 -4.224) 8.966 5.390 ( 11.284 1.466 0.868) 11.411 5.425 ( 2.553 0.244 -2.958) 3.915 5.690 ( 16.281 -1.426 -4.370) 16.918 5.943 ( 5.454 0.027 3.320) 6.385 6.036 ( 8.408 0.950 -3.473) 9.147 6.157 ( 4.627 -3.890 -2.113) 6.404 6.222 ( 5.088 -1.548 -0.308) 5.327 6.342 ( -1.991 1.164 -0.160) 2.312 6.408 ( 1.086 -0.091 2.992) 3.185 6.686 ( -1.303 -0.175 0.994) 1.648 6.751 ( 0.868 -0.501 2.392) 2.594 6.822 ( 1.013 1.870 -1.953) 2.887 6.961 ( 4.948 2.706 -3.909) 6.862 7.111 ( -2.921 1.978 0.185) 3.533 7.295 ( 0.992 -1.890 2.361) 3.183 7.525 ( -5.360 1.189 4.153) 6.884 7.685 ( -0.961 1.701 -3.701) 4.185 7.756 ( -4.668 -2.170 -1.696) 5.420 7.806 ( -0.993 1.325 -0.098) 1.658 7.933 ( -2.726 -2.276 -0.279) 3.562 8.053 ( 2.655 -4.555 7.571) 9.226 8.460 ( 0.733 1.073 -1.142) 1.730 8.582 ( 4.638 2.064 0.253) 5.083 8.718 ( -7.963 -5.259 -0.616) 9.562 8.851 ( -5.041 -2.686 -4.574) 7.318 9.255 ( -6.456 1.761 1.062) 6.776 9.289 ( -7.679 -0.340 1.590) 7.849 9.340 ( -7.186 2.937 1.893) 7.990 9.499 ( -4.120 -1.303 3.661) 5.663 9.716 ( 3.932 2.790 4.954) 6.913 9.770 ( 1.904 4.115 0.017) 4.534 9.910 ( 7.016 -1.498 -1.063) 7.252 9.940 ( 6.969 -0.627 -4.759) 8.462 10.130 ( 7.601 -0.109 2.795) 8.099 10.159 ( 9.402 -0.195 -1.457) 9.516 11.177 ( 1.991 1.622 -1.156) 2.816 11.290 ( -0.468 -1.226 2.265) 2.618 11.335 ( -0.359 0.855 0.600) 1.104 11.478 ( 6.400 -2.052 0.330) 6.729 12.196 ( -6.543 0.617 1.346) 6.709 12.329 ( -3.910 -1.905 -2.157) 4.854 12.442 ( -0.468 -1.239 -2.234) 2.597 12.505 ( 0.042 -0.787 0.261) 0.831 12.667 ( -1.066 -0.812 -0.318) 1.377 12.713 ( 0.219 -0.928 0.241) 0.984 13.534 ( -0.568 0.314 -3.521) 3.581 13.578 ( -1.849 -1.387 -1.227) 2.617 13.712 ( 1.498 1.650 -2.260) 3.174 13.861 ( -1.876 -1.611 -5.084) 5.654 13.926 ( 2.030 8.834 1.294) 9.156 14.199 ( 11.820 4.932 6.240) 14.247 14.289 ( 1.796 8.290 -2.109) 8.741 14.549 ( 6.328 1.640 4.670) 8.034 15.019 ( -4.839 -9.793 14.324) 18.013 15.255 ( -6.561 -15.236 -7.968) 18.403 15.855 ( -13.253 10.817 -0.859) 17.129 16.189 ( -1.005 -0.755 -5.171) 5.321 16.491 ( -1.428 1.946 1.641) 2.919 16.621 ( -0.857 5.205 -0.530) 5.302 16.840 ( -9.077 -4.533 -4.269) 11.008 17.120 ( 0.823 -5.462 3.697) 6.646 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 4.475 6.317 -6.008) 9.800 1.239 ( 2.674 4.725 0.713) 5.475 1.318 ( -6.921 3.474 -9.682) 12.398 1.618 ( -0.751 5.913 7.827) 9.838 1.707 ( -5.105 -1.474 -2.747) 5.982 1.786 ( -3.155 -2.224 -3.610) 5.285 1.981 ( -2.579 -7.899 1.273) 8.406 2.087 ( -2.389 -4.728 -6.868) 8.673 2.165 ( 0.709 -2.768 -5.591) 6.279 2.170 ( -4.026 -0.381 0.627) 4.092 2.346 ( 3.222 -1.613 -2.392) 4.325 2.415 ( -0.990 -0.005 -0.211) 1.012 2.580 ( -5.878 7.912 0.695) 9.881 2.661 ( -3.296 4.005 -0.413) 5.204 2.842 ( -4.905 -2.448 -1.628) 5.719 2.954 ( -1.731 1.841 4.128) 4.840 3.055 ( -6.839 3.269 0.402) 7.591 3.115 ( 2.753 -1.848 -4.706) 5.757 3.144 ( -1.901 -1.108 -0.554) 2.269 3.249 ( -0.985 -0.749 -1.814) 2.196 3.303 ( -1.590 -3.183 0.452) 3.587 3.401 ( -6.360 -1.613 -1.289) 6.686 3.690 ( -6.738 1.285 3.813) 7.848 3.940 ( -7.093 -5.669 2.105) 9.320 4.091 ( -2.919 2.173 2.439) 4.381 4.175 ( -5.504 -0.105 2.055) 5.876 4.386 ( 2.263 2.587 1.322) 3.682 4.437 ( -3.394 4.889 -2.899) 6.620 4.672 ( -0.035 3.056 -0.043) 3.056 4.727 ( 11.481 -3.097 -2.770) 12.210 4.883 ( 1.096 -4.522 -4.338) 6.362 5.021 ( 3.844 -1.048 -0.069) 3.985 5.068 ( 2.616 0.550 1.562) 3.096 5.193 ( 3.200 -1.489 3.680) 5.098 5.292 ( 3.049 2.420 -1.078) 4.040 5.442 ( 2.726 -1.178 -0.674) 3.045 5.576 ( 8.284 1.550 3.517) 9.132 5.876 ( 12.584 -4.080 -4.465) 13.963 6.037 ( 5.596 0.661 -0.423) 5.651 6.157 ( 7.627 3.071 -1.040) 8.288 6.221 ( -0.276 -2.592 1.794) 3.164 6.287 ( 12.051 -1.015 -0.614) 12.109 6.399 ( 7.368 0.371 -0.493) 7.394 6.483 ( 3.285 -0.910 3.036) 4.564 6.670 ( -0.502 0.680 -1.090) 1.379 6.788 ( -1.013 4.219 1.464) 4.579 6.831 ( 2.424 -3.089 1.075) 4.071 6.998 ( 3.522 1.968 -0.672) 4.091 7.099 ( -0.215 0.446 1.235) 1.331 7.323 ( -1.409 -3.096 2.007) 3.950 7.462 ( -7.967 0.921 2.441) 8.383 7.578 ( -4.553 -0.785 -6.244) 7.767 7.686 ( -1.744 0.883 -2.976) 3.560 7.802 ( 2.024 2.804 -0.842) 3.559 7.870 ( -4.082 -0.945 -1.378) 4.411 8.211 ( 1.178 -7.141 11.867) 13.900 8.426 ( -3.497 0.655 -3.246) 4.816 8.504 ( -6.827 -0.393 -1.042) 6.917 8.721 ( -3.226 0.047 -3.243) 4.574 8.750 ( 4.565 -1.650 3.933) 6.248 9.157 ( -7.118 0.509 2.341) 7.510 9.201 ( -4.750 -1.456 -0.038) 4.969 9.289 ( -3.436 3.038 1.787) 4.922 9.489 ( -3.336 -2.170 2.395) 4.645 9.788 ( 0.575 5.073 1.174) 5.238 9.807 ( 1.989 3.185 0.454) 3.783 9.988 ( 6.098 -1.316 -4.526) 7.708 9.999 ( 7.184 -0.801 -3.068) 7.853 10.275 ( 5.211 -0.644 4.610) 6.988 10.292 ( 8.754 -0.308 -0.064) 8.760 11.194 ( 2.145 2.344 -1.402) 3.473 11.270 ( -3.802 -0.424 1.861) 4.254 11.326 ( -0.800 0.409 -0.669) 1.120 11.607 ( 7.243 -3.758 -0.313) 8.166 12.117 ( -5.972 0.720 2.126) 6.380 12.242 ( -4.567 -2.187 -0.962) 5.155 12.420 ( 0.708 0.224 -1.736) 1.889 12.541 ( 1.729 -1.558 4.311) 4.899 12.634 ( -1.761 -0.010 -0.810) 1.938 12.735 ( -0.373 -1.091 3.505) 3.690 13.466 ( 0.701 0.252 -3.767) 3.840 13.564 ( 0.893 -3.032 -1.481) 3.490 13.703 ( 0.371 1.953 2.528) 3.216 13.827 ( 0.925 0.863 -0.476) 1.352 13.983 ( 1.441 7.130 1.757) 7.484 14.318 ( 4.349 5.306 -0.295) 6.867 14.485 ( 14.236 5.028 5.146) 15.951 14.659 ( 3.638 1.281 0.174) 3.861 15.052 ( -5.065 -9.206 -6.978) 12.613 15.077 ( -8.955 -8.172 10.157) 15.816 15.607 ( -16.952 9.326 -1.400) 19.399 16.094 ( -1.248 -3.027 -7.406) 8.097 16.471 ( -1.360 0.387 -0.807) 1.628 16.605 ( -1.013 6.196 -0.007) 6.279 16.672 ( -5.826 -3.117 -4.822) 8.180 17.140 ( -1.270 -6.190 0.167) 6.321 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 5.942 4.724 -10.679) 13.102 1.197 ( 5.599 3.283 -6.266) 9.021 1.293 ( 4.128 -0.473 -4.608) 6.205 1.519 ( -9.095 1.471 0.207) 9.216 1.569 ( -1.690 -3.366 -4.695) 6.019 1.839 ( -5.440 1.515 1.314) 5.798 1.917 ( -1.358 7.143 -7.001) 10.094 2.020 ( -1.744 -7.863 3.655) 8.845 2.111 ( 2.792 -2.845 -0.004) 3.986 2.132 ( 1.114 -0.269 -3.113) 3.318 2.335 ( -1.364 1.946 -1.654) 2.895 2.460 ( -0.100 -1.007 3.341) 3.491 2.496 ( -3.194 3.383 2.116) 5.111 2.603 ( -4.193 -0.761 -0.336) 4.275 2.758 ( -2.649 0.438 -1.010) 2.869 2.935 ( -3.232 1.945 -1.065) 3.920 2.972 ( -2.229 4.338 -1.907) 5.237 3.067 ( 3.612 -3.097 -9.933) 11.014 3.139 ( -4.460 -2.871 4.593) 7.016 3.191 ( -1.684 0.055 -3.935) 4.280 3.235 ( -5.346 -3.160 -1.139) 6.313 3.354 ( 2.551 -2.111 -3.099) 4.535 3.649 ( -3.752 1.227 2.548) 4.698 3.835 ( -7.178 -6.414 0.127) 9.627 4.054 ( -4.672 2.248 -0.650) 5.226 4.111 ( -5.069 -1.018 1.827) 5.483 4.347 ( -2.526 6.285 -1.941) 7.046 4.466 ( 3.921 3.864 2.396) 6.004 4.681 ( 0.462 2.765 1.232) 3.062 4.801 ( 4.090 -5.339 -6.561) 9.396 4.865 ( 5.055 -2.630 -3.486) 6.680 5.033 ( -1.077 -3.221 -0.375) 3.417 5.172 ( 5.327 1.502 3.117) 6.352 5.268 ( -0.078 -0.971 4.421) 4.527 5.353 ( 3.990 3.537 2.830) 6.036 5.487 ( 2.122 -0.629 1.650) 2.761 5.711 ( 3.287 1.792 4.536) 5.881 5.963 ( 5.777 -4.483 -2.933) 7.879 6.102 ( 3.222 2.218 -1.513) 4.194 6.229 ( 0.757 -1.919 1.781) 2.725 6.259 ( 4.687 1.526 0.498) 4.954 6.462 ( 0.870 -1.697 -0.438) 1.957 6.505 ( 13.472 -0.012 0.272) 13.475 6.587 ( 5.148 -1.458 0.618) 5.386 6.664 ( 4.519 2.947 -2.240) 5.842 6.761 ( -2.332 3.580 -0.275) 4.282 6.900 ( 1.757 -1.231 3.175) 3.832 7.045 ( 1.390 1.565 1.225) 2.425 7.121 ( 0.520 -2.609 1.999) 3.328 7.276 ( -7.329 -2.178 0.889) 7.697 7.336 ( -9.697 0.226 -1.691) 9.846 7.447 ( 0.401 -2.056 -7.072) 7.376 7.617 ( -0.547 2.253 -5.449) 5.921 7.778 ( -4.922 -1.152 -2.564) 5.668 7.851 ( 4.820 3.621 -0.394) 6.041 8.173 ( -12.645 -1.410 -0.575) 12.736 8.420 ( 0.219 -3.310 5.850) 6.725 8.513 ( 4.343 -4.567 6.924) 9.363 8.699 ( 0.321 2.533 1.149) 2.800 8.848 ( 1.990 -0.090 3.088) 3.675 9.087 ( -6.022 -0.393 2.690) 6.607 9.146 ( -1.687 -1.628 -1.035) 2.563 9.270 ( -1.878 2.126 2.190) 3.584 9.441 ( -3.788 -2.207 -0.848) 4.465 9.793 ( -0.544 6.041 -0.238) 6.070 9.808 ( -0.307 3.246 -1.962) 3.806 10.007 ( 3.247 -1.744 -4.463) 5.788 10.058 ( 5.295 -0.979 -3.722) 6.546 10.388 ( 2.364 -0.726 4.530) 5.161 10.415 ( 6.155 -0.620 0.885) 6.250 11.215 ( 2.227 2.066 -0.452) 3.071 11.234 ( -3.585 -0.111 1.886) 4.052 11.303 ( -0.459 0.822 -1.260) 1.573 11.635 ( 0.783 -3.971 -5.535) 6.857 12.073 ( -3.644 1.020 2.993) 4.824 12.183 ( -2.085 -1.579 0.238) 2.626 12.425 ( 1.659 0.960 -0.633) 2.019 12.582 ( -0.632 -1.927 -1.921) 2.793 12.663 ( 0.625 -0.259 8.421) 8.448 12.778 ( -0.348 -1.408 4.400) 4.633 13.492 ( 4.244 1.620 1.964) 4.949 13.645 ( 6.371 -2.989 6.013) 9.256 13.780 ( 2.500 0.547 6.912) 7.370 13.863 ( 2.206 2.099 2.769) 4.115 14.005 ( -0.732 4.644 1.057) 4.819 14.367 ( 2.766 2.101 -1.771) 3.899 14.621 ( 0.116 4.798 -3.826) 6.138 14.776 ( 8.075 -5.267 2.665) 10.003 14.904 ( -1.020 1.265 -5.384) 5.623 15.047 ( -8.275 -2.885 7.738) 11.691 15.322 ( -16.002 6.570 -2.806) 17.524 15.993 ( 2.394 -6.186 -11.109) 12.939 16.439 ( -0.868 -0.055 -1.547) 1.775 16.545 ( -2.780 -0.465 -5.129) 5.852 16.591 ( -1.602 4.859 0.829) 5.183 17.089 ( -2.359 -6.055 -3.899) 7.579 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.051 4.814 -8.441) 10.528 1.177 ( -7.250 -1.942 -0.644) 7.533 1.291 ( 0.582 -5.177 -1.639) 5.461 1.427 ( 3.968 -4.229 -8.986) 10.695 1.596 ( 1.640 6.650 -0.352) 6.858 1.703 ( 1.441 4.970 -7.894) 9.439 1.775 ( -2.636 2.293 -2.929) 4.559 2.031 ( -7.164 -3.520 0.602) 8.005 2.083 ( 1.447 -2.073 -3.564) 4.370 2.238 ( 6.205 -1.054 -2.152) 6.652 2.368 ( 0.939 3.479 6.417) 7.360 2.406 ( -1.509 0.668 8.241) 8.404 2.539 ( -1.914 -1.433 -0.710) 2.494 2.600 ( 3.547 0.330 3.430) 4.945 2.736 ( -0.337 2.342 -0.035) 2.367 2.869 ( -0.712 0.462 -3.524) 3.624 2.915 ( -1.339 2.424 -3.364) 4.357 3.008 ( 0.607 -2.581 -5.798) 6.375 3.085 ( 0.063 -1.518 -6.287) 6.468 3.136 ( -4.038 -0.479 2.340) 4.691 3.152 ( -2.312 -0.439 -3.066) 3.865 3.375 ( 5.383 -4.077 -4.266) 7.987 3.635 ( -0.573 1.016 1.144) 1.634 3.734 ( -4.230 -4.058 -2.051) 6.210 3.964 ( -4.007 1.356 -0.444) 4.254 4.065 ( -3.854 -0.806 2.355) 4.588 4.318 ( 1.525 4.031 -1.827) 4.681 4.544 ( 0.046 3.984 4.644) 6.119 4.685 ( 1.830 -2.312 -6.322) 6.976 4.797 ( 3.613 -2.973 0.594) 4.717 4.906 ( 2.692 -0.773 -3.053) 4.143 5.007 ( 0.427 -2.155 -2.151) 3.075 5.267 ( -0.452 0.656 5.122) 5.184 5.288 ( -3.164 0.376 4.945) 5.882 5.466 ( 4.666 1.358 3.374) 5.916 5.533 ( 1.141 0.954 1.405) 2.046 5.788 ( -0.188 2.362 4.411) 5.007 6.006 ( 2.553 -1.702 -2.605) 4.025 6.099 ( 0.106 -0.397 -0.323) 0.523 6.245 ( -2.079 -2.420 0.845) 3.300 6.305 ( -0.901 1.059 0.455) 1.463 6.444 ( -0.127 -0.964 -1.517) 1.802 6.614 ( 1.245 0.139 -1.607) 2.037 6.663 ( 5.871 0.020 -0.476) 5.890 6.706 ( -2.693 1.173 0.242) 2.947 6.775 ( 6.649 0.407 -1.128) 6.756 6.939 ( -2.832 2.586 4.514) 5.923 7.063 ( 1.684 1.660 -0.624) 2.446 7.119 ( -6.702 -2.675 2.949) 7.796 7.132 ( -5.770 0.265 -3.427) 6.716 7.226 ( -0.775 -1.394 1.090) 1.932 7.439 ( 6.717 -3.410 -5.779) 9.495 7.556 ( 0.898 0.969 -4.347) 4.544 7.659 ( -5.137 -1.710 -4.090) 6.785 7.917 ( 0.770 1.987 0.251) 2.145 8.005 ( -2.856 3.376 -1.581) 4.696 8.533 ( 3.419 -2.959 7.948) 9.144 8.662 ( 2.565 -6.325 4.960) 8.437 8.713 ( -0.167 1.825 1.010) 2.093 8.868 ( -1.311 0.033 -0.217) 1.329 9.049 ( -2.896 0.658 3.686) 4.734 9.138 ( 0.957 -1.056 1.692) 2.212 9.278 ( -1.489 0.432 2.907) 3.295 9.368 ( -2.462 -1.377 -2.788) 3.966 9.754 ( -2.897 5.062 -1.246) 5.964 9.783 ( -0.502 4.346 -1.055) 4.500 9.986 ( 0.318 -2.041 -3.612) 4.161 10.068 ( 2.280 -1.308 -4.504) 5.215 10.446 ( -1.101 -0.488 3.453) 3.657 10.491 ( 1.971 -0.858 1.192) 2.458 11.207 ( -2.497 0.217 1.711) 3.035 11.255 ( 1.806 0.416 1.719) 2.527 11.290 ( 1.008 1.426 -1.479) 2.289 11.537 ( -2.618 -2.488 -6.960) 7.841 12.071 ( -1.096 1.267 2.822) 3.281 12.185 ( 1.874 -1.544 0.065) 2.429 12.450 ( 1.806 0.805 0.220) 1.990 12.544 ( -1.008 -0.823 -2.166) 2.527 12.747 ( -1.004 -0.512 6.038) 6.142 12.824 ( 0.679 -1.711 2.966) 3.491 13.637 ( 6.620 3.596 7.675) 10.755 13.785 ( 1.314 -0.425 4.791) 4.986 13.910 ( 2.559 -0.251 4.538) 5.216 13.958 ( -4.182 7.425 2.044) 8.763 14.064 ( 8.840 -6.703 13.530) 17.497 14.374 ( 0.265 -0.092 1.892) 1.913 14.558 ( 0.559 5.275 -7.282) 9.010 14.691 ( -8.258 2.531 -3.274) 9.237 14.840 ( -12.699 -5.609 3.699) 14.367 15.043 ( -11.956 -2.245 -3.061) 12.544 15.223 ( 17.514 7.372 1.210) 19.040 15.900 ( 6.960 -7.351 -17.976) 20.631 16.412 ( -0.548 0.306 -1.221) 1.373 16.464 ( -1.359 0.388 -3.125) 3.430 16.588 ( -0.948 4.090 2.474) 4.873 16.989 ( -2.209 -4.984 -6.493) 8.478 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -3.657 -0.549 -3.991) 5.441 1.107 ( 1.072 0.103 -1.389) 1.758 1.146 ( -10.715 -5.222 -8.798) 14.815 1.260 ( -8.129 1.671 -6.808) 10.734 1.629 ( -1.039 3.887 1.576) 4.321 1.753 ( 0.001 1.492 -2.751) 3.130 1.776 ( 3.896 -1.865 -0.265) 4.328 1.906 ( 4.768 2.768 -1.215) 5.646 2.097 ( -0.010 -2.055 1.622) 2.618 2.266 ( 4.414 -0.925 -4.733) 6.538 2.470 ( 7.811 -0.695 4.324) 8.955 2.496 ( -2.308 -2.472 0.645) 3.443 2.594 ( 3.564 3.154 4.810) 6.767 2.671 ( 4.743 1.301 -0.085) 4.919 2.721 ( -0.474 3.329 -1.795) 3.811 2.849 ( 0.929 0.682 0.305) 1.192 2.891 ( 2.390 0.483 -0.301) 2.457 2.944 ( -1.853 -0.886 -2.850) 3.513 3.016 ( -1.673 -1.147 -4.823) 5.232 3.089 ( 2.901 -1.348 -4.973) 5.914 3.138 ( 0.928 1.407 0.686) 1.820 3.405 ( 3.840 -5.258 -3.082) 7.203 3.674 ( 3.266 -0.036 0.258) 3.276 3.685 ( 2.546 0.842 0.139) 2.685 3.955 ( 0.780 -0.388 3.010) 3.133 4.063 ( -0.756 -0.683 3.698) 3.835 4.341 ( 3.102 0.774 -0.986) 3.346 4.572 ( -1.113 0.636 1.570) 2.027 4.620 ( -0.045 -2.142 -5.165) 5.592 4.860 ( -1.566 0.076 -4.915) 5.159 4.886 ( 2.881 -2.173 2.582) 4.437 4.993 ( 2.376 0.020 -4.368) 4.972 5.219 ( -9.480 1.115 4.178) 10.420 5.356 ( -1.047 -0.873 7.271) 7.397 5.521 ( -0.802 1.605 -0.500) 1.863 5.567 ( 2.345 0.375 0.061) 2.375 5.791 ( -5.497 2.313 2.184) 6.351 5.942 ( -3.682 2.248 -3.386) 5.484 6.111 ( -7.239 -4.869 -3.095) 9.257 6.180 ( 0.861 -3.346 2.337) 4.172 6.275 ( -3.563 2.300 1.531) 4.509 6.416 ( -3.208 -0.154 -0.555) 3.259 6.586 ( -2.093 1.077 -1.707) 2.907 6.622 ( -4.926 1.271 -1.715) 5.369 6.707 ( 0.090 -3.345 -0.265) 3.357 6.813 ( -0.874 -3.123 0.469) 3.277 6.947 ( -0.711 3.300 3.730) 5.031 7.045 ( -3.950 2.066 1.187) 4.613 7.099 ( 2.017 1.754 1.517) 3.073 7.160 ( 8.444 -0.401 1.158) 8.532 7.237 ( 1.077 1.518 -0.685) 1.983 7.487 ( 7.913 -4.218 -5.242) 10.387 7.512 ( -2.940 -3.262 -4.255) 6.115 7.597 ( 2.756 -0.025 0.503) 2.802 7.859 ( -2.393 4.608 -1.425) 5.385 8.079 ( 6.876 1.544 1.693) 7.248 8.633 ( -4.820 -3.378 -0.338) 5.895 8.673 ( 1.157 -2.508 6.129) 6.722 8.749 ( 0.745 -0.346 0.631) 1.035 8.851 ( 2.310 -1.603 -1.726) 3.299 9.090 ( 1.294 1.692 5.087) 5.515 9.220 ( 4.782 -1.681 4.166) 6.561 9.273 ( -2.878 -0.560 1.477) 3.283 9.306 ( -1.845 -0.363 -2.326) 2.991 9.695 ( -3.700 3.720 0.171) 5.249 9.764 ( -0.923 5.189 -0.235) 5.275 9.938 ( -1.946 -2.526 -2.434) 4.011 10.025 ( -0.840 -0.767 -4.571) 4.710 10.433 ( -4.689 -0.046 1.933) 5.072 10.499 ( -2.624 -0.749 0.998) 2.906 11.193 ( -1.696 -0.438 0.977) 2.006 11.277 ( -0.597 0.433 0.014) 0.738 11.323 ( 2.400 -0.072 2.287) 3.316 11.429 ( -0.885 -0.825 -5.134) 5.275 12.103 ( 1.198 1.289 2.296) 2.893 12.236 ( 5.207 -2.030 -0.909) 5.662 12.481 ( 1.498 0.087 0.648) 1.635 12.502 ( -0.893 -0.045 -2.376) 2.538 12.787 ( -0.940 -0.003 3.983) 4.092 12.864 ( 1.070 -1.170 1.451) 2.150 13.753 ( -6.733 3.554 -2.286) 7.950 13.851 ( 5.100 5.076 8.681) 11.276 13.897 ( -3.798 2.759 1.815) 5.033 13.991 ( 1.977 -0.769 3.486) 4.081 14.254 ( -1.103 -3.207 1.097) 3.564 14.451 ( 0.812 1.400 -5.931) 6.148 14.560 ( 0.438 -2.222 19.746) 19.875 14.591 ( -1.287 2.620 5.282) 6.035 14.666 ( -11.091 -4.768 -1.026) 12.115 14.807 ( -11.931 -3.425 -4.105) 13.074 15.533 ( 20.749 3.768 -3.497) 21.376 15.781 ( 10.485 -3.046 -22.964) 25.427 16.388 ( -1.144 1.298 -1.001) 1.999 16.440 ( 1.110 0.438 -0.547) 1.313 16.629 ( -0.204 2.131 6.373) 6.723 16.885 ( -0.729 -3.376 -6.791) 7.619 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -8.419 -3.686 -10.421) 13.895 0.902 ( -11.661 -1.846 0.292) 11.809 1.046 ( -9.754 1.401 -1.417) 9.956 1.143 ( 5.308 -3.925 -2.374) 7.015 1.562 ( -8.281 8.718 4.209) 12.739 1.742 ( 3.089 2.332 4.034) 5.591 1.867 ( 4.765 -4.737 0.884) 6.777 2.064 ( 7.220 0.885 3.330) 8.000 2.123 ( 3.878 -1.049 -0.880) 4.113 2.279 ( 3.578 0.891 -3.696) 5.221 2.454 ( -3.398 -0.365 -0.260) 3.427 2.556 ( 0.808 0.353 -7.700) 7.751 2.641 ( 2.532 2.955 0.598) 3.937 2.690 ( 0.529 -1.010 -5.191) 5.315 2.788 ( 10.612 -1.248 1.183) 10.751 2.864 ( 1.328 0.706 -3.977) 4.252 2.909 ( 1.256 1.639 4.165) 4.649 2.942 ( 0.225 0.303 -0.753) 0.843 3.029 ( 5.982 -0.437 5.076) 7.858 3.111 ( 4.314 -1.425 -1.323) 4.732 3.178 ( 3.529 1.094 0.072) 3.696 3.427 ( 1.855 -5.684 -0.189) 5.982 3.737 ( 6.117 2.466 0.415) 6.608 3.825 ( 7.711 -0.381 5.677) 9.583 4.037 ( 4.112 -0.074 3.347) 5.302 4.125 ( 2.524 0.242 4.051) 4.780 4.371 ( 1.309 -1.403 -0.665) 2.031 4.536 ( 0.769 -5.776 -6.476) 8.711 4.599 ( -2.248 3.983 4.516) 6.427 4.767 ( -0.820 0.631 -6.467) 6.549 4.888 ( -0.985 -0.469 -3.890) 4.040 5.007 ( 2.545 -1.619 -0.405) 3.043 5.091 ( -12.107 2.392 2.760) 12.645 5.380 ( -5.371 -3.680 3.463) 7.375 5.461 ( -3.612 2.553 -3.326) 5.534 5.567 ( -0.796 0.113 -1.644) 1.830 5.664 ( -12.004 0.776 0.559) 12.042 5.853 ( -4.248 3.015 -3.289) 6.160 5.899 ( -11.412 -4.382 -2.696) 12.519 6.186 ( -9.033 -6.016 3.077) 11.281 6.245 ( -0.693 2.087 -0.513) 2.258 6.365 ( -0.863 -0.005 0.090) 0.867 6.518 ( -4.975 2.539 -0.566) 5.614 6.566 ( 1.942 2.477 -2.236) 3.861 6.697 ( -0.440 -4.797 -1.394) 5.015 6.776 ( -5.018 -4.209 2.404) 6.977 6.992 ( -0.580 3.489 -0.796) 3.625 7.014 ( 0.061 2.991 2.527) 3.916 7.148 ( 2.829 -1.274 0.931) 3.240 7.250 ( 0.608 0.775 -2.288) 2.491 7.340 ( 10.203 -0.022 3.233) 10.703 7.456 ( 3.108 1.965 -1.378) 3.927 7.574 ( 8.508 -5.523 -2.138) 10.366 7.660 ( 1.667 1.180 2.803) 3.468 7.840 ( 1.949 5.231 -1.532) 5.789 8.217 ( 6.412 0.016 4.418) 7.787 8.546 ( -4.383 -5.646 -0.773) 7.189 8.661 ( -3.326 -2.415 -0.750) 4.178 8.816 ( 1.252 -1.727 2.890) 3.592 8.874 ( 1.999 -1.439 -0.610) 2.538 9.170 ( -0.203 1.784 0.679) 1.919 9.233 ( -1.551 -0.554 -1.346) 2.126 9.267 ( 0.028 0.668 4.605) 4.653 9.373 ( 8.721 -2.215 2.990) 9.482 9.654 ( -2.912 2.511 1.821) 4.254 9.753 ( -1.421 5.502 1.052) 5.779 9.861 ( -4.270 -2.556 -2.510) 5.574 9.951 ( -2.249 0.743 -2.894) 3.739 10.350 ( -7.644 0.614 0.303) 7.675 10.441 ( -5.678 -0.419 0.515) 5.716 11.156 ( -3.412 -1.011 -0.980) 3.692 11.265 ( -0.215 1.156 0.478) 1.269 11.386 ( 1.308 -2.746 2.887) 4.194 11.413 ( 2.692 -0.655 -0.981) 2.939 12.160 ( 2.965 0.946 1.987) 3.692 12.316 ( 7.159 -2.623 -2.049) 7.895 12.463 ( -0.326 0.718 -2.508) 2.629 12.510 ( 1.017 -0.812 0.901) 1.583 12.817 ( -0.196 0.526 2.565) 2.626 12.891 ( 0.708 -0.251 0.756) 1.066 13.550 ( -11.337 3.990 -5.098) 13.055 13.847 ( -3.443 3.693 -0.815) 5.114 13.972 ( -1.140 -1.864 0.338) 2.211 14.044 ( 0.098 0.122 1.860) 1.867 14.175 ( -4.892 0.692 -0.014) 4.941 14.382 ( -5.781 -5.069 -8.182) 11.228 14.483 ( -6.551 -5.520 -3.289) 9.177 14.561 ( -7.127 -0.632 4.105) 8.249 14.628 ( -3.717 1.308 2.928) 4.909 14.927 ( 4.587 -7.880 21.656) 23.497 15.601 ( 13.464 11.493 -18.948) 25.931 15.887 ( 20.008 0.925 -5.819) 20.857 16.362 ( -0.958 2.276 -0.237) 2.480 16.473 ( 2.798 0.394 0.703) 2.912 16.732 ( 0.851 -0.547 9.731) 9.783 16.823 ( 1.955 -1.502 -4.070) 4.758 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -6.778 4.621 7.210) 10.921 0.707 ( -14.108 4.782 4.495) 15.560 0.998 ( -1.057 1.167 9.531) 9.661 1.301 ( 8.387 -6.836 5.829) 12.290 1.539 ( -3.258 5.859 9.657) 11.756 1.865 ( 3.687 -0.333 4.733) 6.008 1.934 ( 2.342 -5.499 1.151) 6.086 2.105 ( 2.171 -2.402 -5.312) 6.221 2.243 ( 8.815 0.915 -3.304) 9.458 2.287 ( 3.233 3.854 -1.441) 5.233 2.379 ( -3.925 2.164 -2.404) 5.086 2.449 ( -0.558 2.240 -6.648) 7.037 2.598 ( -1.141 -5.086 -5.265) 7.409 2.712 ( 4.970 6.566 -3.648) 9.006 2.813 ( -0.015 -3.732 1.656) 4.083 2.946 ( 3.152 1.355 -1.154) 3.620 2.984 ( 3.364 0.013 4.898) 5.942 3.031 ( 7.548 1.376 3.209) 8.316 3.151 ( 2.814 -2.600 0.921) 3.940 3.189 ( 3.426 -0.240 2.948) 4.526 3.260 ( 6.070 0.417 2.515) 6.583 3.472 ( 3.255 -4.444 2.620) 6.099 3.839 ( 3.730 4.029 2.847) 6.185 4.008 ( 6.123 -0.856 5.118) 8.026 4.124 ( 1.312 1.165 2.110) 2.744 4.224 ( 5.382 0.524 2.643) 6.018 4.356 ( 0.038 -1.181 -2.735) 2.979 4.478 ( -0.583 -3.711 -2.257) 4.382 4.634 ( 1.474 1.839 1.421) 2.752 4.721 ( 2.201 0.520 -2.340) 3.254 4.804 ( -2.960 0.106 -5.032) 5.839 4.925 ( -10.613 3.046 0.372) 11.048 5.030 ( -0.491 -3.822 0.692) 3.915 5.256 ( -10.622 -3.695 -1.577) 11.357 5.353 ( -3.950 2.202 -3.995) 6.034 5.466 ( -13.248 0.273 -0.001) 13.251 5.530 ( -2.351 -0.454 -1.134) 2.650 5.619 ( -15.952 -4.964 -7.035) 18.127 5.798 ( -5.591 2.180 2.361) 6.449 6.034 ( -10.131 -3.161 1.038) 10.664 6.234 ( 1.352 1.717 -3.184) 3.861 6.362 ( 0.025 -1.108 -0.989) 1.485 6.456 ( -1.363 1.665 -1.241) 2.484 6.574 ( 0.482 2.434 -2.224) 3.332 6.656 ( -1.078 -3.579 -1.965) 4.223 6.750 ( -2.231 -3.292 2.649) 4.778 6.931 ( -1.646 2.337 -3.072) 4.196 7.056 ( -1.162 2.125 1.820) 3.030 7.190 ( 0.517 -2.244 -5.653) 6.104 7.222 ( 4.138 -1.246 1.717) 4.650 7.512 ( 6.749 1.286 2.825) 7.429 7.553 ( 5.751 3.208 2.100) 6.912 7.658 ( 1.827 -1.621 1.826) 3.050 7.736 ( 5.498 1.096 1.122) 5.717 7.863 ( 2.507 3.434 -0.990) 4.366 8.363 ( 4.823 1.945 1.930) 5.547 8.508 ( -1.971 -12.560 4.643) 13.535 8.619 ( -0.422 -2.606 -0.453) 2.679 8.732 ( -6.160 -2.811 -8.212) 10.644 8.898 ( -0.299 -1.972 -2.017) 2.837 9.153 ( -1.597 2.325 4.244) 5.095 9.195 ( -0.532 0.714 1.040) 1.369 9.429 ( 6.375 -1.160 7.892) 10.211 9.519 ( 6.188 -2.175 -1.650) 6.764 9.650 ( -0.627 0.867 2.162) 2.412 9.700 ( -5.119 1.313 1.580) 5.516 9.827 ( 2.306 4.387 0.892) 5.036 9.897 ( -1.737 0.764 -1.413) 2.366 10.210 ( -9.778 1.375 -1.137) 9.939 10.345 ( -6.541 0.089 -0.684) 6.577 11.094 ( -2.704 0.177 -0.315) 2.728 11.282 ( 0.631 -0.328 1.109) 1.317 11.426 ( 0.472 -3.635 1.457) 3.945 11.444 ( 0.350 -3.116 0.174) 3.140 12.235 ( 3.711 -0.170 1.797) 4.126 12.397 ( 6.624 -2.888 -2.977) 7.816 12.440 ( 1.459 0.642 -2.290) 2.790 12.533 ( 0.398 -1.551 1.070) 1.926 12.829 ( -0.427 1.064 -0.766) 1.379 12.899 ( -0.437 0.488 -0.328) 0.732 13.339 ( -8.897 1.666 -2.129) 9.299 13.686 ( -20.311 -12.378 -16.691) 29.057 13.789 ( -3.808 4.052 -1.049) 5.659 13.990 ( -2.969 -0.878 -2.641) 4.070 14.149 ( -2.008 2.112 -10.226) 10.633 14.180 ( -3.264 2.542 3.203) 5.232 14.422 ( -1.964 -2.517 4.587) 5.589 14.486 ( -6.081 1.548 -1.858) 6.544 14.655 ( -0.733 1.411 5.295) 5.529 15.205 ( 0.527 -10.240 18.647) 21.280 15.747 ( 19.789 15.464 -0.742) 25.126 16.081 ( 15.031 1.793 -8.319) 17.272 16.358 ( 0.057 3.481 0.904) 3.597 16.542 ( 4.363 1.137 1.847) 4.873 16.790 ( 2.744 -2.201 -1.982) 4.038 16.946 ( 5.602 -2.814 12.081) 13.611 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -6.555 7.315 12.806) 16.139 0.762 ( 2.572 10.964 20.284) 23.201 1.223 ( 6.547 -2.581 18.388) 19.688 1.446 ( -10.698 9.680 25.290) 29.116 1.717 ( 16.504 -10.483 -0.917) 19.573 1.909 ( -2.781 -3.843 -3.910) 6.148 1.950 ( -0.530 -7.518 1.764) 7.740 2.087 ( 3.771 3.152 -1.800) 5.234 2.178 ( 1.375 1.808 -11.073) 11.304 2.326 ( 1.398 -1.759 -2.524) 3.379 2.359 ( -5.655 0.105 2.632) 6.239 2.427 ( 10.431 7.203 -6.513) 14.252 2.548 ( 2.219 -0.408 -6.016) 6.425 2.708 ( 1.757 -0.225 -0.876) 1.976 2.889 ( 2.085 -1.401 5.819) 6.339 2.998 ( 1.763 -1.597 2.918) 3.765 3.110 ( 8.106 3.476 1.315) 8.918 3.127 ( -6.012 -2.465 1.855) 6.757 3.153 ( 5.355 2.096 -0.444) 5.767 3.256 ( 1.257 0.722 2.623) 2.997 3.401 ( 7.267 0.872 3.516) 8.119 3.603 ( 8.747 -1.913 2.933) 9.422 3.912 ( -1.315 4.466 6.711) 8.168 4.045 ( -9.169 1.860 0.916) 9.400 4.126 ( -1.765 -1.183 2.648) 3.395 4.341 ( 4.109 -3.737 -3.413) 6.519 4.366 ( 10.131 0.462 -1.673) 10.278 4.453 ( -1.125 -1.835 -2.947) 3.649 4.654 ( -2.602 -1.085 -2.151) 3.546 4.706 ( -0.173 0.756 -1.050) 1.306 4.725 ( -4.117 0.234 2.000) 4.583 4.811 ( -4.894 1.348 0.314) 5.086 5.007 ( -3.161 -5.087 0.902) 6.057 5.058 ( -13.929 -3.645 -0.293) 14.401 5.233 ( -6.841 2.053 -3.827) 8.103 5.278 ( -6.006 3.016 -3.192) 7.440 5.339 ( -4.506 0.357 -0.266) 4.528 5.483 ( -2.499 -1.121 -1.437) 3.093 5.754 ( -3.883 1.717 2.622) 4.990 5.949 ( -3.290 -2.569 1.834) 4.559 6.192 ( -0.279 1.403 -5.661) 5.839 6.333 ( -0.212 -0.693 -4.029) 4.093 6.440 ( 0.801 1.249 -1.919) 2.426 6.524 ( -1.866 -1.833 -2.308) 3.489 6.638 ( -0.372 0.639 0.271) 0.788 6.755 ( -0.987 -2.258 1.678) 2.981 6.883 ( 0.144 0.306 -3.229) 3.246 7.002 ( -2.565 0.394 -4.034) 4.797 7.179 ( 2.536 0.342 -1.285) 2.864 7.294 ( 2.196 0.411 0.884) 2.403 7.569 ( 0.499 1.884 -1.673) 2.569 7.656 ( 3.279 3.968 3.218) 6.070 7.721 ( 2.060 -2.187 3.587) 4.679 7.790 ( 0.781 1.609 1.166) 2.135 7.900 ( 2.381 -1.041 -0.652) 2.679 8.269 ( -11.984 -4.300 -4.935) 13.655 8.503 ( -3.061 2.896 -3.093) 5.227 8.663 ( 2.749 -4.901 5.437) 7.819 8.685 ( 6.112 -5.126 -1.374) 8.094 8.827 ( 0.409 -3.860 -2.857) 4.820 9.203 ( -2.335 1.274 7.777) 8.220 9.254 ( 2.763 1.197 3.622) 4.710 9.441 ( -6.743 0.692 -1.532) 6.949 9.581 ( 2.164 -4.058 4.628) 6.524 9.713 ( 5.646 0.297 -0.037) 5.654 9.737 ( 4.596 -0.117 0.704) 4.651 9.860 ( -0.850 0.849 -1.649) 2.040 9.879 ( 1.402 2.074 -0.022) 2.503 10.035 ( -10.026 2.082 -1.940) 10.422 10.226 ( -5.868 0.786 -3.821) 7.047 11.079 ( -0.107 0.535 1.468) 1.566 11.277 ( -4.452 -3.983 -0.145) 5.975 11.376 ( -5.317 -1.123 0.190) 5.438 11.453 ( 1.804 -0.795 -1.583) 2.528 12.305 ( 2.509 -1.650 1.120) 3.205 12.422 ( 1.893 0.500 -2.314) 3.032 12.470 ( 5.096 -3.880 -3.191) 7.156 12.547 ( -0.136 -1.654 0.905) 1.890 12.756 ( -2.728 1.176 -6.925) 7.535 12.839 ( -3.808 1.042 -3.261) 5.121 13.266 ( -1.550 0.497 4.014) 4.331 13.331 ( -7.615 -1.513 4.860) 9.160 13.750 ( -0.822 4.621 0.147) 4.696 13.927 ( 0.412 -1.452 -5.486) 5.690 14.012 ( -2.695 3.934 -4.707) 6.701 14.183 ( -1.011 3.714 0.659) 3.906 14.347 ( -4.949 4.157 -4.943) 8.137 14.491 ( -0.271 1.397 6.191) 6.353 14.694 ( -3.152 -3.512 6.575) 8.093 15.381 ( -2.513 -12.774 14.277) 19.322 16.049 ( 15.188 6.562 0.808) 16.564 16.156 ( 8.374 3.883 -8.974) 12.874 16.381 ( 0.585 4.716 2.040) 5.171 16.636 ( 4.154 3.576 1.444) 5.668 16.827 ( 4.322 -3.809 -0.394) 5.775 17.171 ( 6.143 -9.052 6.185) 12.567 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 4.506 10.516 8.447) 14.222 1.131 ( -0.787 0.444 8.851) 8.897 1.403 ( 1.381 1.518 10.676) 10.872 1.615 ( -0.141 -13.279 5.846) 14.510 1.790 ( 2.888 4.189 8.141) 9.600 1.848 ( 2.559 0.299 -3.460) 4.314 1.896 ( 2.212 1.843 6.227) 6.861 2.013 ( -1.843 -5.481 -4.380) 7.254 2.208 ( -2.412 5.120 5.080) 7.606 2.277 ( 2.607 -0.646 -1.438) 3.047 2.447 ( 4.380 2.554 3.471) 6.145 2.506 ( 3.561 -2.345 1.826) 4.638 2.586 ( 1.542 5.326 -5.450) 7.775 2.694 ( 0.736 -5.431 5.301) 7.624 2.960 ( -2.518 0.895 1.898) 3.278 3.008 ( -2.889 1.590 1.264) 3.532 3.028 ( -0.345 -1.960 2.328) 3.063 3.098 ( -0.198 -4.238 -3.796) 5.694 3.295 ( 1.169 2.189 0.113) 2.484 3.316 ( -0.924 0.376 0.269) 1.034 3.683 ( 14.833 3.620 1.432) 15.335 3.739 ( 10.143 -1.691 1.636) 10.412 3.857 ( -14.149 3.008 -1.519) 14.544 3.958 ( -15.974 -6.306 0.523) 17.181 4.093 ( -0.509 5.112 1.956) 5.497 4.174 ( -1.420 -2.669 -3.113) 4.340 4.391 ( -1.866 1.614 -3.404) 4.204 4.438 ( 1.522 -2.845 -3.465) 4.735 4.558 ( -3.787 2.834 2.661) 5.428 4.642 ( -2.297 -4.633 2.361) 5.685 4.767 ( 4.981 2.046 -1.491) 5.587 4.801 ( 5.048 -0.398 0.287) 5.072 4.946 ( -2.253 0.736 2.699) 3.592 4.969 ( -0.232 -1.213 3.772) 3.969 5.175 ( -3.192 2.201 -2.282) 4.499 5.224 ( -3.473 -2.172 -1.300) 4.297 5.397 ( 6.087 2.189 -1.863) 6.731 5.436 ( 6.065 -1.567 -2.418) 6.714 5.800 ( 0.224 3.103 1.598) 3.498 5.877 ( 1.169 -4.051 0.587) 4.257 6.147 ( -1.003 2.179 -6.050) 6.508 6.203 ( -1.685 -2.935 -6.822) 7.616 6.440 ( -1.496 1.172 -0.470) 1.958 6.462 ( -1.111 -0.912 -0.700) 1.599 6.682 ( -0.518 1.676 2.194) 2.809 6.716 ( -1.187 -1.513 1.539) 2.463 6.878 ( 1.683 1.889 -3.595) 4.396 6.921 ( 1.082 -1.690 -3.605) 4.126 7.241 ( 0.947 2.167 -0.205) 2.374 7.289 ( -0.109 -1.884 -1.149) 2.210 7.636 ( 1.554 3.986 0.878) 4.367 7.713 ( 2.825 -3.764 2.015) 5.120 7.784 ( -2.945 4.652 0.539) 5.532 7.828 ( -1.549 -0.437 2.716) 3.157 7.874 ( -2.103 1.516 0.400) 2.623 7.982 ( -5.686 -6.186 -3.624) 9.150 8.520 ( -1.161 2.645 -2.278) 3.679 8.560 ( -3.329 -1.264 -3.259) 4.827 8.749 ( 5.968 -0.452 2.245) 6.392 8.800 ( 6.499 -4.696 0.944) 8.073 9.281 ( -3.636 1.296 7.351) 8.303 9.295 ( -4.911 -0.053 6.892) 8.463 9.495 ( 3.990 3.778 2.798) 6.166 9.571 ( 3.119 -3.243 2.237) 5.024 9.745 ( -3.665 0.157 -1.576) 3.993 9.755 ( -4.023 -0.707 -1.700) 4.424 9.870 ( 1.440 0.988 -0.420) 1.796 9.884 ( 2.565 -0.160 0.031) 2.570 9.968 ( -2.226 3.975 -3.580) 5.794 10.048 ( -3.083 -3.178 -5.355) 6.948 11.130 ( 1.309 0.795 1.903) 2.443 11.153 ( -0.885 -1.292 1.073) 1.899 11.389 ( -0.154 2.016 -0.687) 2.135 11.428 ( 0.579 -1.585 -1.687) 2.386 12.336 ( 0.336 2.108 -0.056) 2.135 12.400 ( 2.130 -3.399 -1.999) 4.482 12.451 ( 0.545 1.238 -2.081) 2.482 12.500 ( -0.176 -2.590 -2.502) 3.605 12.692 ( -2.372 1.702 -1.749) 3.403 12.734 ( -2.821 -2.009 -1.800) 3.904 13.416 ( 6.103 1.465 8.361) 10.455 13.430 ( 4.255 0.257 8.412) 9.431 13.833 ( 2.651 1.612 -1.012) 3.263 13.860 ( 2.975 -1.097 -3.310) 4.584 14.057 ( -4.112 7.532 -3.254) 9.178 14.193 ( -4.717 -4.405 -5.567) 8.523 14.325 ( 0.216 6.998 5.569) 8.946 14.515 ( -1.009 -10.084 10.459) 14.563 14.757 ( -2.820 15.070 -2.893) 15.602 15.106 ( -2.422 -17.193 0.887) 17.386 16.223 ( 2.941 2.150 -3.434) 5.006 16.240 ( 3.996 0.413 -3.012) 5.021 16.587 ( 1.016 9.387 3.843) 10.194 16.776 ( 1.964 -6.982 2.070) 7.543 16.804 ( 0.024 6.350 1.762) 6.590 16.988 ( -4.050 -9.934 0.887) 10.764 ======================= Grid point 126 (70/108) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 6.560 5.853 5.317) 10.274 1.200 ( -3.936 3.613 9.720) 11.092 1.439 ( -2.058 3.168 2.728) 4.660 1.609 ( -6.223 -9.723 4.509) 12.394 1.823 ( -0.265 0.331 -1.890) 1.937 1.893 ( 1.238 -5.666 -2.838) 6.456 1.942 ( 1.949 3.529 1.366) 4.257 2.033 ( 3.407 -4.768 0.579) 5.889 2.276 ( 1.035 5.601 4.975) 7.562 2.344 ( 3.419 -0.223 2.990) 4.547 2.426 ( -6.278 6.109 -10.447) 13.633 2.502 ( -0.973 -0.949 -9.133) 9.233 2.609 ( 3.051 5.999 9.083) 11.304 2.793 ( -1.272 -10.112 10.991) 14.989 2.942 ( -3.409 3.821 1.856) 5.447 2.967 ( -2.954 0.031 0.889) 3.085 3.010 ( -5.111 -1.685 -0.364) 5.394 3.060 ( -0.155 -4.642 2.891) 5.471 3.286 ( -2.860 1.296 1.379) 3.429 3.300 ( -1.368 0.614 0.516) 1.586 3.583 ( -11.426 4.682 -4.940) 13.299 3.693 ( -13.382 -4.852 -3.389) 14.632 3.877 ( 1.893 1.108 0.642) 2.285 3.904 ( 5.294 -0.495 0.774) 5.373 4.135 ( 2.071 0.215 2.793) 3.483 4.143 ( 2.744 -0.377 2.559) 3.771 4.307 ( -2.174 2.779 -2.880) 4.554 4.369 ( -0.895 -2.528 -3.315) 4.264 4.612 ( 2.015 2.958 3.711) 5.156 4.701 ( 3.155 -5.276 2.985) 6.834 4.816 ( 3.238 3.576 -2.732) 5.544 4.886 ( 4.348 -2.805 -2.033) 5.559 4.974 ( 1.490 2.552 3.934) 4.921 5.016 ( 0.363 -1.485 3.475) 3.796 5.160 ( 5.947 0.958 -2.969) 6.716 5.206 ( 5.187 -3.139 -1.235) 6.187 5.466 ( 6.335 3.099 -3.544) 7.893 5.519 ( 8.382 -1.764 -3.288) 9.175 5.856 ( 4.203 2.422 1.844) 5.189 5.923 ( 5.048 -3.853 -1.411) 6.505 6.101 ( 2.088 0.778 -2.459) 3.318 6.130 ( 2.228 -2.004 -4.568) 5.464 6.404 ( -2.722 0.882 0.074) 2.862 6.419 ( -3.486 -0.503 0.144) 3.525 6.693 ( -1.500 0.678 2.038) 2.620 6.709 ( -1.135 -0.825 1.096) 1.781 6.881 ( 3.161 2.750 -2.646) 4.956 6.933 ( 4.335 -1.693 -2.562) 5.312 7.231 ( -1.847 1.666 -1.131) 2.732 7.252 ( -0.978 -0.402 -0.848) 1.355 7.638 ( -3.483 6.567 0.620) 7.459 7.751 ( -0.246 2.150 0.135) 2.169 7.774 ( 0.086 -4.582 1.771) 4.914 7.799 ( -4.101 -2.333 -0.203) 4.722 7.881 ( -0.848 -0.871 3.214) 3.437 7.907 ( -0.375 -3.004 0.879) 3.153 8.500 ( 0.094 1.192 -1.636) 2.026 8.519 ( 2.229 -0.079 -0.472) 2.280 8.784 ( -2.034 0.516 -1.450) 2.550 8.843 ( 0.144 -4.317 -2.378) 4.930 9.304 ( -3.820 0.813 6.173) 7.305 9.315 ( -2.947 -0.343 5.796) 6.511 9.559 ( -9.719 2.553 -0.474) 10.060 9.594 ( -10.882 -0.963 -1.090) 10.979 9.636 ( 5.393 3.267 5.068) 8.090 9.717 ( 5.098 -3.650 2.844) 6.885 9.862 ( 1.033 2.568 -2.530) 3.750 9.898 ( 2.429 -0.659 -2.935) 3.866 10.009 ( 8.077 1.288 -1.272) 8.277 10.039 ( 7.327 -1.292 -2.920) 7.992 11.175 ( 2.125 0.731 0.702) 2.354 11.192 ( 3.643 -0.860 1.894) 4.195 11.374 ( -0.680 1.761 -0.564) 1.970 11.412 ( 0.158 -1.714 -1.504) 2.286 12.305 ( -4.025 2.554 -0.186) 4.771 12.367 ( -2.913 -2.638 -2.314) 4.560 12.442 ( 0.417 -0.310 -1.367) 1.463 12.469 ( 0.993 -2.265 -2.286) 3.368 12.667 ( -0.762 0.974 0.648) 1.396 12.698 ( -0.734 -1.636 -0.549) 1.875 13.546 ( 1.161 1.896 3.063) 3.785 13.576 ( 3.113 -0.854 2.937) 4.365 13.823 ( -1.739 4.621 -4.720) 6.830 13.896 ( 2.197 -1.204 -3.206) 4.068 14.039 ( 5.276 2.030 1.823) 5.940 14.061 ( 0.434 0.154 -2.346) 2.390 14.436 ( 3.205 7.107 7.934) 11.123 14.634 ( -0.640 -3.486 6.628) 7.516 14.672 ( -1.909 8.080 0.117) 8.303 15.037 ( -3.302 -18.312 -4.607) 19.169 16.184 ( -2.984 4.324 -3.328) 6.219 16.234 ( -0.193 -0.922 -3.267) 3.400 16.612 ( -4.086 8.751 3.688) 10.338 16.743 ( -2.583 2.370 -0.011) 3.506 16.861 ( -4.346 -5.874 2.490) 7.720 16.928 ( -0.694 -6.429 1.844) 6.724 ======================= Grid point 127 (71/108) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -2.953 8.380 3.792) 9.661 1.289 ( -1.270 2.467 8.084) 8.547 1.504 ( 7.936 0.695 0.383) 7.975 1.533 ( -7.203 -2.804 0.741) 7.765 1.797 ( -0.843 -1.287 -1.262) 1.989 1.868 ( -0.912 -5.549 -0.535) 5.648 1.977 ( 1.180 -1.115 -2.467) 2.953 2.038 ( -5.340 -4.041 -4.391) 8.008 2.117 ( -3.926 8.896 -11.827) 15.311 2.296 ( -5.666 -5.199 -7.955) 11.064 2.347 ( 1.492 3.154 -2.539) 4.315 2.419 ( 0.852 -1.649 0.978) 2.099 2.752 ( 0.398 7.200 7.643) 10.507 2.855 ( -6.814 2.728 0.911) 7.396 2.875 ( -6.269 -2.319 2.989) 7.322 2.911 ( -2.945 -3.379 6.957) 8.276 3.026 ( 3.067 -0.096 -0.169) 3.074 3.079 ( -1.604 -3.572 2.374) 4.579 3.259 ( -2.919 0.863 1.243) 3.288 3.274 ( -2.367 -0.410 0.281) 2.419 3.376 ( -7.966 4.914 -5.054) 10.637 3.482 ( -9.627 -4.456 -2.830) 10.979 3.815 ( -8.594 3.025 3.301) 9.690 3.897 ( -6.583 -4.279 3.666) 8.665 4.181 ( -2.633 2.065 -0.453) 3.377 4.204 ( -1.060 -0.239 1.722) 2.036 4.350 ( 7.471 2.102 0.707) 7.794 4.416 ( 13.550 -3.509 -2.758) 14.266 4.641 ( -2.748 4.343 1.620) 5.389 4.737 ( -0.984 -3.249 -0.504) 3.432 4.835 ( 2.338 2.710 -0.454) 3.608 4.921 ( 3.734 -3.525 -1.048) 5.241 5.031 ( 1.760 1.081 1.771) 2.721 5.064 ( 2.502 -1.831 2.102) 3.746 5.260 ( 8.107 2.096 -1.528) 8.512 5.328 ( 7.309 -3.890 1.074) 8.349 5.523 ( 8.656 5.645 -4.329) 11.204 5.630 ( 11.898 -4.239 -3.897) 13.218 5.957 ( 6.761 1.676 0.486) 6.983 6.012 ( 9.790 -3.086 -1.599) 10.389 6.134 ( 4.793 1.700 -1.142) 5.212 6.180 ( 6.292 -2.300 -0.559) 6.723 6.368 ( -1.342 1.354 0.747) 2.048 6.396 ( -0.412 -1.103 1.780) 2.135 6.692 ( -0.764 0.681 1.107) 1.508 6.716 ( 0.266 -1.664 1.421) 2.204 6.899 ( 1.446 4.091 -0.940) 4.440 6.968 ( 3.285 -1.969 -1.974) 4.308 7.181 ( -2.369 3.871 -0.501) 4.566 7.248 ( -0.716 -2.578 1.376) 3.009 7.572 ( -5.086 3.478 0.128) 6.162 7.664 ( -5.530 -4.569 -4.130) 8.278 7.761 ( -0.684 3.623 1.701) 4.061 7.825 ( -0.320 -0.837 2.395) 2.558 7.895 ( -1.620 -0.131 1.869) 2.477 7.948 ( 1.195 -4.502 4.335) 6.363 8.502 ( 0.577 2.959 -0.024) 3.015 8.579 ( 2.645 -3.772 1.990) 5.019 8.681 ( -4.594 3.257 -4.637) 7.295 8.771 ( -2.868 -4.480 -4.838) 7.190 9.274 ( -6.855 0.380 1.084) 6.951 9.281 ( -7.710 -0.385 1.241) 7.819 9.411 ( -6.914 3.163 1.777) 7.808 9.464 ( -5.369 -1.995 2.741) 6.350 9.789 ( 5.096 3.654 5.214) 8.156 9.845 ( 6.269 0.746 -0.170) 6.315 9.876 ( 3.110 0.037 0.900) 3.238 9.917 ( 4.876 -1.699 -3.608) 6.299 10.133 ( 8.032 0.512 0.963) 8.105 10.149 ( 8.732 -0.763 -0.525) 8.781 11.220 ( 2.405 2.173 0.155) 3.245 11.261 ( 1.348 -1.662 1.400) 2.558 11.363 ( 0.432 2.061 -0.673) 2.210 11.421 ( 3.663 -3.147 -0.605) 4.867 12.224 ( -5.634 2.071 -0.218) 6.006 12.278 ( -5.024 -2.762 -1.663) 5.970 12.434 ( 0.583 0.792 -0.974) 1.384 12.470 ( 0.834 -2.178 -0.400) 2.367 12.664 ( -1.322 0.636 1.081) 1.823 12.687 ( -0.867 -1.351 1.008) 1.895 13.544 ( -1.173 0.568 -4.354) 4.544 13.557 ( -1.657 -0.731 -3.292) 3.757 13.756 ( -0.813 2.489 -1.966) 3.274 13.813 ( -2.517 -2.756 -3.083) 4.841 14.133 ( 5.454 9.513 4.099) 11.707 14.257 ( 10.627 -1.142 6.269) 12.391 14.535 ( -0.990 13.205 -1.003) 13.280 14.617 ( 4.585 5.905 1.778) 7.684 14.785 ( 0.272 -10.296 10.622) 14.795 14.919 ( -2.328 -16.256 -6.481) 17.654 16.047 ( -9.853 7.158 -3.262) 12.607 16.152 ( -4.723 -3.094 -4.379) 7.145 16.564 ( -4.427 4.993 0.645) 6.704 16.681 ( -6.144 -4.463 -0.107) 7.594 16.801 ( -2.330 6.010 0.119) 6.447 16.970 ( -0.170 -8.375 2.703) 8.802 ======================= Grid point 128 (72/108) ======================= q-point: ( 0.30 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -1.890 7.592 -0.614) 7.848 1.309 ( -5.882 -2.286 0.214) 6.314 1.425 ( 1.058 9.053 -4.565) 10.194 1.606 ( -0.382 -4.649 -4.637) 6.577 1.713 ( -3.926 -1.432 -7.554) 8.633 1.782 ( -6.374 -3.924 -2.175) 7.795 1.849 ( 0.315 3.089 2.222) 3.818 1.978 ( 4.043 -6.960 -2.591) 8.456 2.092 ( 3.695 4.536 -2.234) 6.263 2.242 ( 3.769 -7.283 -2.980) 8.725 2.301 ( -3.195 6.178 -1.736) 7.169 2.396 ( -2.158 -2.547 -2.000) 3.892 2.719 ( -9.833 3.385 1.328) 10.484 2.726 ( -9.286 1.938 0.739) 9.514 2.848 ( 1.167 3.943 -1.803) 4.490 2.963 ( 0.902 -4.115 0.810) 4.290 3.036 ( -0.884 0.683 -1.009) 1.505 3.078 ( -3.003 -2.306 3.965) 5.482 3.199 ( -6.334 3.402 -3.563) 8.024 3.223 ( -3.286 -1.181 -0.755) 3.572 3.256 ( -1.823 0.161 -0.807) 2.000 3.334 ( -5.052 -4.465 -1.843) 6.990 3.737 ( -7.729 3.243 4.760) 9.639 3.824 ( -8.546 -4.982 3.758) 10.582 4.131 ( -3.310 1.588 0.527) 3.708 4.159 ( -4.626 -1.153 0.292) 4.776 4.475 ( 6.740 5.574 0.737) 8.777 4.564 ( 2.837 5.631 -4.081) 7.511 4.611 ( 4.496 -4.736 -0.216) 6.534 4.709 ( 0.543 -4.514 -2.909) 5.398 4.840 ( -0.672 3.593 -0.547) 3.696 4.949 ( 0.470 -5.133 -0.221) 5.159 5.103 ( 4.631 2.242 2.231) 5.608 5.151 ( 3.928 -2.287 3.408) 5.681 5.349 ( 4.328 2.875 1.028) 5.297 5.406 ( 3.184 -2.354 0.399) 3.980 5.646 ( 9.051 5.019 -0.002) 10.350 5.767 ( 9.819 -5.929 -2.742) 11.793 6.071 ( 6.615 2.412 0.240) 7.045 6.135 ( 4.873 -3.585 0.057) 6.050 6.234 ( 8.635 2.784 -1.333) 9.170 6.277 ( 9.600 -1.059 -0.960) 9.705 6.409 ( 4.588 1.174 0.996) 4.839 6.448 ( 4.128 -2.152 2.053) 5.088 6.699 ( 1.034 1.961 -0.150) 2.223 6.754 ( 2.403 -3.299 1.271) 4.274 6.899 ( -1.084 5.260 0.928) 5.450 6.991 ( 1.344 -2.979 0.260) 3.279 7.153 ( -1.335 4.518 0.283) 4.720 7.249 ( -1.304 -4.084 0.987) 4.399 7.481 ( -6.369 1.358 -1.177) 6.618 7.529 ( -5.467 -3.019 -4.962) 7.976 7.747 ( -2.808 3.977 -0.151) 4.870 7.818 ( -2.941 -2.363 -0.186) 3.778 7.902 ( 0.886 5.145 2.535) 5.804 8.043 ( 1.113 -7.924 7.887) 11.235 8.454 ( -5.360 1.791 -3.215) 6.502 8.490 ( -7.105 -1.301 -2.674) 7.702 8.707 ( 3.594 0.010 0.195) 3.599 8.726 ( 3.484 -1.235 2.081) 4.242 9.162 ( -7.362 0.206 0.971) 7.429 9.174 ( -5.801 -1.014 -0.128) 5.890 9.364 ( -3.491 3.766 1.515) 5.354 9.435 ( -3.397 -2.944 1.748) 4.823 9.881 ( 2.431 3.712 -1.641) 4.731 9.898 ( 3.007 4.461 1.732) 5.652 9.947 ( 4.061 -2.554 -2.967) 5.641 9.968 ( 5.611 -2.297 -0.861) 6.123 10.268 ( 5.905 0.175 3.229) 6.733 10.280 ( 7.359 -0.780 1.373) 7.527 11.240 ( -0.039 1.488 0.305) 1.519 11.261 ( -2.204 -0.633 1.060) 2.526 11.370 ( 2.350 4.434 -2.299) 5.520 11.494 ( 5.743 -6.469 -1.882) 8.853 12.143 ( -4.905 1.815 0.902) 5.307 12.190 ( -4.488 -2.525 -0.202) 5.153 12.440 ( 1.097 1.815 -0.235) 2.134 12.491 ( 1.486 -2.767 1.081) 3.321 12.655 ( -1.897 1.776 2.423) 3.553 12.699 ( -1.522 -2.162 4.075) 4.858 13.479 ( 1.305 1.055 -3.282) 3.686 13.511 ( 1.327 -2.030 -2.468) 3.460 13.746 ( -0.137 2.263 2.147) 3.122 13.796 ( 0.122 -2.391 1.616) 2.889 14.225 ( 1.458 13.645 1.560) 13.811 14.473 ( 7.613 -6.946 4.702) 11.327 14.497 ( -0.840 9.839 -1.214) 9.950 14.670 ( 0.521 -2.521 -2.095) 3.319 14.880 ( 3.333 -5.263 -0.120) 6.231 14.901 ( 2.303 -5.859 5.512) 8.367 15.814 ( -14.005 9.757 -4.505) 17.654 15.992 ( -7.296 -6.834 -6.440) 11.892 16.506 ( -2.597 2.788 -1.122) 3.972 16.582 ( -4.522 -4.232 -1.868) 6.469 16.774 ( -1.595 8.988 -0.333) 9.135 16.971 ( -1.627 -9.306 0.010) 9.447 ======================= Grid point 129 (73/108) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.839 4.150 -7.728) 8.812 1.198 ( 0.216 -2.728 -5.590) 6.224 1.354 ( -1.368 5.309 -10.297) 11.666 1.459 ( -6.569 -4.577 -6.253) 10.159 1.627 ( 2.415 6.393 2.237) 7.191 1.790 ( -0.388 -7.951 2.319) 8.291 1.922 ( 1.258 1.841 3.317) 3.997 1.989 ( -2.401 -3.050 -4.887) 6.241 2.128 ( 7.350 4.589 -3.366) 9.296 2.160 ( 0.424 2.114 -9.200) 9.450 2.332 ( 0.669 0.007 4.420) 4.470 2.397 ( 2.251 -4.414 4.641) 6.789 2.573 ( -9.767 2.513 2.063) 10.294 2.596 ( -8.521 0.005 0.996) 8.579 2.828 ( 1.938 5.301 -4.981) 7.528 2.947 ( 1.852 -5.348 -6.456) 8.586 2.986 ( -3.408 2.804 -2.685) 5.165 3.053 ( -2.437 -1.822 -3.763) 4.839 3.087 ( -3.345 0.811 0.840) 3.542 3.145 ( -3.549 -3.769 -1.035) 5.279 3.221 ( -1.635 2.303 -0.899) 2.964 3.291 ( 0.132 -3.635 -1.573) 3.963 3.682 ( -6.182 1.823 4.057) 7.616 3.732 ( -7.792 -3.304 2.733) 8.894 4.079 ( -4.512 0.569 -0.568) 4.583 4.092 ( -3.977 -0.708 0.444) 4.064 4.491 ( -1.156 7.164 -5.305) 8.989 4.576 ( 3.004 5.270 2.625) 6.609 4.658 ( 3.079 -6.045 -7.818) 10.351 4.706 ( 3.762 -3.499 -0.475) 5.160 4.846 ( 1.961 2.920 1.095) 3.684 4.943 ( -0.571 -5.003 0.036) 5.036 5.205 ( 3.305 1.645 3.921) 5.386 5.240 ( 1.204 -1.608 4.441) 4.874 5.429 ( 3.345 2.983 2.734) 5.250 5.470 ( 3.025 -1.137 2.415) 4.034 5.768 ( 4.945 3.654 2.263) 6.552 5.861 ( 5.788 -4.980 -1.066) 7.709 6.142 ( 2.250 1.821 -0.150) 2.899 6.184 ( 1.580 -2.170 0.664) 2.765 6.315 ( 3.695 3.602 -0.300) 5.169 6.397 ( 3.373 -3.851 -0.616) 5.156 6.528 ( 10.820 1.339 -0.498) 10.914 6.555 ( 7.103 -1.333 -0.072) 7.228 6.723 ( 3.104 2.868 -1.301) 4.422 6.785 ( 0.241 -2.448 -0.904) 2.621 6.924 ( 1.247 4.401 4.219) 6.222 7.022 ( 0.027 -4.202 3.136) 5.243 7.140 ( -0.394 4.577 -0.062) 4.594 7.228 ( -2.964 -2.935 0.414) 4.192 7.339 ( -8.376 0.517 -3.854) 9.235 7.379 ( -3.637 -3.437 -6.574) 8.262 7.679 ( -3.084 3.178 -3.348) 5.552 7.739 ( -4.965 -2.442 -2.407) 6.034 7.960 ( 1.182 6.355 2.629) 6.978 8.097 ( -5.679 -5.886 4.290) 9.236 8.384 ( 0.911 0.448 1.941) 2.191 8.426 ( 1.317 -3.247 1.880) 3.977 8.760 ( 1.169 3.100 2.228) 3.992 8.821 ( 1.801 -2.414 3.286) 4.458 9.085 ( -4.190 0.488 1.320) 4.420 9.109 ( -2.311 -1.649 -0.121) 2.842 9.326 ( -2.686 3.064 0.447) 4.099 9.389 ( -3.268 -2.761 -0.565) 4.316 9.881 ( 0.695 3.852 -2.336) 4.559 9.929 ( 0.542 5.628 -0.757) 5.705 9.956 ( 1.796 -3.077 -3.328) 4.875 10.019 ( 3.420 -2.888 -2.496) 5.125 10.380 ( 3.184 0.185 3.722) 4.901 10.396 ( 4.576 -1.054 2.297) 5.228 11.234 ( -1.950 0.377 1.309) 2.379 11.242 ( -1.282 -0.073 1.154) 1.726 11.369 ( 2.255 5.755 -3.901) 7.309 11.513 ( 2.052 -7.100 -5.135) 8.999 12.103 ( -2.580 1.808 1.993) 3.728 12.144 ( -2.034 -2.013 0.946) 3.014 12.459 ( 1.478 2.364 -0.178) 2.794 12.521 ( 1.090 -3.328 -0.476) 3.534 12.684 ( -1.224 1.995 6.740) 7.135 12.734 ( -1.679 -2.500 5.966) 6.683 13.535 ( 6.006 2.369 3.548) 7.367 13.587 ( 6.884 -2.591 5.133) 8.970 13.797 ( 0.961 1.252 5.174) 5.410 13.835 ( 0.672 -2.320 3.826) 4.525 14.225 ( -1.475 13.298 -0.732) 13.400 14.439 ( -3.783 -0.372 -2.414) 4.503 14.580 ( 3.606 -3.779 -0.667) 5.266 14.673 ( -1.115 -5.502 3.148) 6.436 14.921 ( 0.194 2.702 -0.888) 2.850 14.994 ( 4.704 -3.006 0.441) 5.600 15.543 ( -10.995 13.065 -6.339) 18.214 15.808 ( -3.298 -11.239 -9.544) 15.108 16.460 ( -1.345 1.767 -1.528) 2.695 16.505 ( -2.414 -2.340 -2.255) 4.049 16.740 ( -1.632 8.363 -1.138) 8.596 16.925 ( -2.092 -8.879 -2.662) 9.502 ======================= Grid point 130 (74/108) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 6.115 4.259 -5.184) 9.078 1.154 ( -6.170 -0.677 -5.692) 8.422 1.206 ( -2.983 0.067 -3.330) 4.471 1.315 ( 1.264 -6.269 -8.949) 10.999 1.728 ( 3.927 4.320 3.030) 6.578 1.769 ( -3.320 0.175 -3.655) 4.941 1.824 ( -3.911 3.711 -5.767) 7.894 1.926 ( -4.495 -5.274 2.637) 7.414 2.111 ( 4.553 3.765 -7.039) 9.190 2.197 ( 7.346 -3.281 -6.811) 10.541 2.414 ( -5.926 1.172 5.697) 8.304 2.428 ( 0.297 0.601 5.671) 5.711 2.537 ( 0.557 2.167 4.500) 5.026 2.593 ( 5.155 -1.631 4.808) 7.236 2.807 ( 2.372 3.994 -3.847) 6.032 2.887 ( 0.978 -0.838 -6.618) 6.742 2.904 ( -1.027 -0.902 -3.055) 3.347 2.967 ( -0.865 -2.272 -5.726) 6.221 3.054 ( -0.123 0.430 -2.969) 3.002 3.097 ( -1.309 -2.602 -2.773) 4.022 3.188 ( -1.561 3.431 0.113) 3.771 3.278 ( 0.728 -4.774 -1.617) 5.093 3.651 ( -3.194 0.560 3.627) 4.865 3.671 ( -3.526 -1.692 2.646) 4.722 3.999 ( -3.409 1.974 -1.317) 4.154 4.040 ( -2.570 -1.667 -0.411) 3.091 4.418 ( 0.353 5.603 -5.788) 8.063 4.551 ( -0.169 -6.327 -7.469) 9.790 4.673 ( 1.492 5.016 2.018) 5.609 4.765 ( 2.379 -2.472 2.180) 4.065 4.893 ( 1.781 0.993 0.013) 2.039 4.947 ( 2.028 -3.262 -0.766) 3.916 5.277 ( -2.174 0.421 5.048) 5.513 5.287 ( -1.627 -0.454 5.256) 5.520 5.511 ( 2.697 2.384 2.844) 4.587 5.542 ( 2.008 -0.397 2.617) 3.322 5.851 ( 1.554 3.490 3.142) 4.946 5.934 ( 3.768 -4.270 1.112) 5.802 6.123 ( -2.887 2.305 -2.297) 4.351 6.183 ( -2.148 -3.169 -1.469) 4.101 6.347 ( 0.372 2.806 0.656) 2.906 6.407 ( 0.542 -2.528 -0.634) 2.662 6.629 ( 2.207 1.217 -0.683) 2.611 6.656 ( 4.481 -0.996 -0.437) 4.611 6.733 ( -1.774 1.529 -1.098) 2.587 6.764 ( 0.212 -1.242 -1.458) 1.927 6.990 ( -0.768 2.153 3.503) 4.183 7.046 ( -2.289 -3.249 2.744) 4.829 7.144 ( -2.014 2.442 0.283) 3.178 7.167 ( 3.449 4.268 -2.874) 6.194 7.193 ( -3.857 -0.152 -0.439) 3.885 7.328 ( 4.068 -6.943 -3.672) 8.845 7.585 ( -2.512 1.740 -4.650) 5.564 7.623 ( -4.383 -1.752 -3.982) 6.176 7.985 ( -1.611 3.805 1.958) 4.573 8.041 ( -2.439 -0.636 1.359) 2.864 8.493 ( 5.037 -0.038 5.860) 7.727 8.542 ( 5.890 -4.419 4.278) 8.516 8.764 ( -1.849 2.857 -0.473) 3.436 8.829 ( -1.934 -3.090 -1.092) 3.805 9.075 ( -0.459 1.612 3.042) 3.474 9.110 ( 0.667 -1.595 2.424) 2.977 9.299 ( -1.838 1.497 0.626) 2.452 9.335 ( -2.053 -1.760 -1.366) 3.029 9.846 ( -2.149 4.117 -1.613) 4.916 9.910 ( -0.535 5.866 -1.966) 6.209 9.928 ( -1.063 -3.026 -2.115) 3.842 10.017 ( 1.075 -3.712 -3.371) 5.128 10.445 ( -0.157 0.517 3.012) 3.060 10.466 ( 1.040 -1.351 2.114) 2.716 11.221 ( -1.833 1.058 1.490) 2.589 11.246 ( -0.638 -1.099 1.684) 2.110 11.355 ( 1.791 4.456 -3.514) 5.951 11.458 ( -0.345 -4.822 -5.540) 7.352 12.106 ( -0.080 1.865 1.727) 2.543 12.146 ( 0.998 -1.981 0.625) 2.305 12.476 ( 1.158 1.678 -0.355) 2.070 12.515 ( 0.147 -1.805 -1.502) 2.353 12.749 ( -1.216 0.854 6.477) 6.645 12.782 ( -0.816 -2.068 5.287) 5.735 13.728 ( 7.645 4.409 9.458) 12.936 13.782 ( 4.276 -0.480 7.846) 8.948 13.889 ( 0.930 -0.493 5.888) 5.981 13.934 ( 5.252 -4.858 9.302) 11.735 14.172 ( -4.438 11.280 0.048) 12.122 14.359 ( -3.552 -4.169 -0.451) 5.495 14.588 ( 1.138 0.214 -4.416) 4.565 14.658 ( -4.023 -5.444 0.961) 6.837 14.839 ( -7.576 6.109 -2.641) 10.084 14.966 ( -8.253 -5.157 -3.511) 10.345 15.442 ( 9.430 12.359 -5.588) 16.520 15.698 ( 6.527 -11.406 -12.913) 18.424 16.430 ( -0.582 1.230 -0.960) 1.665 16.455 ( -1.197 -0.991 -1.438) 2.118 16.705 ( -1.157 6.685 -0.767) 6.828 16.855 ( -1.658 -7.249 -3.931) 8.412 ======================= Grid point 131 (75/108) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -12.201 1.262 -4.704) 13.138 1.003 ( -14.323 -6.314 -4.069) 16.173 1.173 ( 3.578 4.793 -3.724) 7.046 1.260 ( -0.456 -2.493 -8.846) 9.202 1.694 ( -1.133 2.359 0.372) 2.644 1.739 ( 1.743 -1.896 -2.152) 3.356 1.818 ( 1.139 4.214 -0.537) 4.398 1.901 ( 2.089 -3.034 1.737) 4.073 2.118 ( 4.160 3.946 -3.708) 6.828 2.214 ( 5.353 -4.081 -5.763) 8.862 2.450 ( 0.940 -0.238 4.480) 4.583 2.465 ( 2.067 -1.079 2.805) 3.647 2.668 ( 4.527 3.490 2.340) 6.177 2.702 ( 5.422 0.840 -1.097) 5.596 2.807 ( 0.626 4.259 -2.676) 5.069 2.863 ( 0.792 0.995 1.796) 2.201 2.890 ( 1.357 -2.179 1.459) 2.953 2.897 ( -0.748 -2.483 -4.358) 5.071 3.008 ( 0.962 0.994 -5.317) 5.494 3.049 ( 3.141 -2.306 -5.331) 6.603 3.182 ( -0.025 3.011 0.678) 3.086 3.277 ( 0.560 -5.986 -0.464) 6.030 3.682 ( 2.127 0.696 3.394) 4.065 3.694 ( 2.157 -0.194 3.267) 3.919 3.977 ( 1.625 2.173 0.785) 2.824 4.028 ( 1.419 -2.347 0.860) 2.875 4.374 ( 1.594 2.832 -4.208) 5.317 4.468 ( 1.216 -5.874 -7.426) 9.546 4.699 ( -2.308 5.116 3.382) 6.553 4.796 ( -1.636 -4.131 0.831) 4.520 4.911 ( 1.960 2.510 -1.035) 3.349 4.966 ( 2.474 -2.329 -2.911) 4.474 5.254 ( -7.653 2.252 4.963) 9.395 5.311 ( -4.642 -2.927 5.985) 8.121 5.561 ( 0.107 1.845 0.995) 2.099 5.580 ( 0.464 0.187 0.410) 0.647 5.858 ( -5.848 4.208 0.978) 7.271 5.961 ( -3.336 -4.219 -1.263) 5.525 6.029 ( -5.599 1.696 -1.376) 6.010 6.103 ( -2.174 -3.933 -1.221) 4.657 6.340 ( -2.534 3.429 0.955) 4.370 6.398 ( -2.102 -1.798 0.021) 2.767 6.609 ( -1.485 1.355 -1.509) 2.514 6.647 ( -2.021 -2.189 -0.908) 3.114 6.662 ( -5.379 2.444 -0.568) 5.935 6.731 ( -4.123 -4.017 0.591) 5.787 7.009 ( 1.506 2.789 2.248) 3.886 7.059 ( 2.217 -1.483 0.751) 2.771 7.157 ( -2.446 2.529 1.388) 3.782 7.166 ( 3.188 1.072 0.553) 3.409 7.271 ( 7.315 2.319 0.427) 7.686 7.365 ( 6.593 -5.931 -4.599) 9.990 7.508 ( -0.663 1.950 -2.758) 3.442 7.565 ( 1.893 -2.688 -0.858) 3.398 7.971 ( -1.676 5.706 1.621) 6.164 8.071 ( 1.665 -2.936 3.014) 4.525 8.587 ( -1.593 0.335 -0.409) 1.679 8.628 ( -0.100 -2.425 2.181) 3.263 8.753 ( 2.471 0.889 0.310) 2.644 8.794 ( 2.649 -2.976 -1.904) 4.415 9.136 ( 3.199 2.330 3.715) 5.428 9.181 ( 4.133 -1.980 3.409) 5.712 9.272 ( -2.771 0.605 0.481) 2.877 9.292 ( -2.068 -0.977 -0.998) 2.495 9.783 ( -4.555 4.339 -0.021) 6.291 9.869 ( -3.176 -3.349 -1.220) 4.774 9.886 ( -1.179 5.217 -0.844) 5.415 9.983 ( -0.562 -3.365 -2.822) 4.428 10.443 ( -3.698 1.066 1.777) 4.239 10.473 ( -2.798 -1.568 1.342) 3.477 11.205 ( -2.123 1.599 0.604) 2.726 11.251 ( -1.334 -2.371 1.204) 2.976 11.351 ( 1.667 2.237 -1.510) 3.172 11.398 ( 0.391 -2.056 -3.537) 4.110 12.139 ( 2.216 2.069 1.032) 3.202 12.187 ( 3.724 -2.456 -0.104) 4.463 12.487 ( 0.819 0.462 -0.391) 1.018 12.498 ( 0.026 -0.421 -1.631) 1.685 12.797 ( -0.799 1.075 4.786) 4.970 12.830 ( 0.085 -1.847 3.867) 4.286 13.839 ( -3.818 4.114 2.216) 6.035 13.908 ( -1.068 -1.808 6.241) 6.585 13.982 ( 0.436 5.451 3.486) 6.485 14.037 ( -0.213 3.804 2.181) 4.391 14.193 ( 0.128 -0.073 5.797) 5.799 14.348 ( -2.277 -10.463 8.771) 13.841 14.528 ( -1.363 1.251 -5.337) 5.649 14.571 ( -4.290 -3.251 -4.018) 6.717 14.689 ( -7.656 4.235 0.767) 8.783 14.755 ( -10.026 -2.247 -2.500) 10.574 15.619 ( 19.135 4.226 -6.057) 20.511 15.705 ( 15.045 -3.938 -13.724) 20.741 16.417 ( -0.420 1.350 -0.145) 1.421 16.439 ( 0.212 -0.598 0.180) 0.659 16.697 ( -0.168 4.179 1.469) 4.433 16.794 ( -0.346 -4.851 -3.277) 5.864 ======================= Grid point 132 (76/108) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -7.989 -0.199 -4.391) 9.119 0.780 ( -6.963 -6.545 2.036) 9.771 1.086 ( -6.933 2.088 -5.241) 8.938 1.117 ( -7.233 -0.608 -0.041) 7.259 1.695 ( -0.528 3.577 0.796) 3.702 1.762 ( 1.821 -3.192 -1.000) 3.808 1.877 ( 5.799 8.033 3.570) 10.531 2.021 ( 6.621 -4.249 2.968) 8.408 2.140 ( 4.439 2.209 -3.100) 5.848 2.228 ( 4.166 -4.940 -5.063) 8.210 2.485 ( 0.362 2.686 0.661) 2.790 2.543 ( 3.132 -2.286 -2.496) 4.612 2.689 ( -4.028 3.945 -5.834) 8.113 2.729 ( 4.786 2.818 -0.575) 5.584 2.771 ( 0.640 -0.952 0.183) 1.162 2.815 ( -2.010 -4.604 -0.974) 5.117 2.952 ( 3.230 1.906 1.281) 3.963 2.984 ( 6.324 1.072 4.781) 8.000 3.017 ( 5.171 1.862 -1.451) 5.685 3.086 ( 6.779 -1.834 -1.636) 7.210 3.203 ( 1.662 1.826 0.866) 2.617 3.289 ( 0.676 -6.433 1.528) 6.646 3.787 ( 6.815 2.100 2.187) 7.459 3.817 ( 6.849 -0.715 4.861) 8.429 4.059 ( 5.747 1.963 2.442) 6.545 4.104 ( 5.173 -1.941 2.632) 6.120 4.360 ( 0.799 0.904 -1.910) 2.259 4.419 ( 0.966 -4.573 -4.226) 6.301 4.688 ( -2.628 3.803 2.047) 5.056 4.749 ( -2.098 -2.031 -2.409) 3.786 4.906 ( -0.353 2.097 -2.659) 3.405 4.960 ( 0.911 -2.687 -2.163) 3.567 5.162 ( -10.985 4.307 3.793) 12.394 5.271 ( -8.661 -5.873 4.080) 11.232 5.523 ( -3.571 2.875 -2.683) 5.312 5.565 ( -2.208 -0.898 -1.088) 2.620 5.698 ( -12.247 2.716 -1.273) 12.609 5.779 ( -12.813 -4.898 -3.804) 14.235 5.958 ( -4.671 5.147 0.493) 6.968 6.069 ( -5.906 -5.330 1.443) 8.085 6.305 ( -1.825 3.097 -0.239) 3.603 6.354 ( -2.022 -1.287 -0.248) 2.410 6.563 ( -4.793 2.099 -0.916) 5.312 6.607 ( 0.986 0.326 -0.139) 1.048 6.615 ( -0.895 -1.386 -1.695) 2.366 6.675 ( -3.563 -4.442 2.053) 6.054 7.076 ( 1.800 3.189 2.533) 4.452 7.086 ( -2.144 4.561 -2.712) 5.723 7.123 ( 2.012 -1.444 0.633) 2.556 7.190 ( -0.767 -4.778 -2.119) 5.283 7.383 ( 10.092 3.145 -0.924) 10.611 7.465 ( 9.808 -4.674 -1.991) 11.046 7.538 ( 4.075 5.055 3.155) 7.219 7.634 ( 3.475 -3.512 3.567) 6.094 7.981 ( 0.178 8.020 1.849) 8.232 8.148 ( 1.787 -6.847 5.653) 9.057 8.497 ( -3.511 1.985 -4.566) 6.092 8.581 ( -2.497 -4.722 -3.690) 6.492 8.814 ( 1.201 0.995 1.297) 2.028 8.842 ( 2.093 -1.483 0.863) 2.707 9.212 ( -1.180 1.457 -1.388) 2.332 9.227 ( -0.749 -0.171 -2.297) 2.422 9.280 ( 3.697 1.165 5.511) 6.738 9.322 ( 7.942 -2.442 3.317) 8.947 9.717 ( -5.037 3.329 1.657) 6.261 9.787 ( -6.127 -3.032 -0.114) 6.837 9.873 ( -0.218 4.165 0.445) 4.195 9.941 ( -1.548 -1.900 -1.421) 2.833 10.376 ( -6.621 1.766 0.460) 6.868 10.417 ( -5.684 -1.839 0.461) 5.992 11.166 ( -3.050 2.016 -0.140) 3.659 11.232 ( -2.246 -3.637 0.824) 4.353 11.368 ( 1.468 1.019 0.030) 1.787 11.394 ( 2.246 -1.161 -1.399) 2.889 12.194 ( 3.760 2.255 0.332) 4.397 12.252 ( 5.256 -3.144 -0.891) 6.189 12.479 ( 0.276 0.783 -1.682) 1.876 12.494 ( 0.693 -0.682 -0.342) 1.031 12.839 ( 0.023 1.496 3.348) 3.667 12.873 ( 0.388 -1.425 2.626) 3.013 13.670 ( -13.438 7.280 -5.632) 16.288 13.841 ( -12.418 -8.414 -4.555) 15.677 13.944 ( -2.616 4.997 -0.024) 5.640 14.034 ( -2.941 -3.166 -1.948) 4.740 14.250 ( 0.601 6.783 4.080) 7.938 14.356 ( -4.441 0.028 -6.036) 7.493 14.374 ( -4.913 -2.154 -1.077) 5.472 14.490 ( -8.804 -6.605 5.082) 12.123 14.675 ( 0.299 3.290 4.852) 5.869 14.769 ( 3.336 -6.039 11.997) 13.839 15.797 ( 19.354 6.694 -11.094) 23.291 15.884 ( 20.377 -1.805 -6.791) 21.554 16.418 ( 0.373 2.767 0.671) 2.872 16.465 ( 1.987 -1.410 1.315) 2.769 16.737 ( 0.975 1.271 3.800) 4.124 16.780 ( 1.811 -2.407 -0.208) 3.019 ======================= Grid point 133 (77/108) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 4.601 7.391 10.848) 13.910 0.804 ( -3.536 2.009 11.614) 12.305 0.987 ( -4.021 -0.223 4.221) 5.833 1.098 ( 5.462 -9.362 4.778) 11.846 1.702 ( 0.925 5.282 0.158) 5.365 1.785 ( 2.533 -4.383 -0.791) 5.123 1.970 ( -3.585 8.395 5.303) 10.557 2.103 ( 4.198 0.567 -1.407) 4.464 2.203 ( 3.315 -3.005 -4.619) 6.431 2.247 ( 5.245 -7.001 2.996) 9.247 2.442 ( -2.644 3.057 -5.558) 6.872 2.499 ( -5.422 -2.928 -2.784) 6.762 2.562 ( 1.161 6.614 -3.967) 7.800 2.700 ( -2.661 -6.051 -2.793) 7.176 2.843 ( 7.724 4.376 1.620) 9.024 2.921 ( 6.886 -3.368 3.130) 8.280 2.991 ( 1.079 3.284 0.394) 3.479 3.069 ( 1.237 -2.956 0.505) 3.244 3.155 ( 9.128 4.623 2.188) 10.464 3.191 ( 5.493 0.269 1.285) 5.648 3.266 ( 4.982 1.283 2.842) 5.878 3.361 ( 5.759 -6.101 3.875) 9.241 3.918 ( 5.974 3.395 2.064) 7.175 3.977 ( 6.334 -2.164 3.348) 7.484 4.167 ( 2.981 2.545 1.844) 4.332 4.213 ( 3.642 -1.543 2.498) 4.679 4.348 ( 0.874 0.737 -1.482) 1.872 4.393 ( 0.989 -3.532 -1.846) 4.106 4.677 ( -0.453 1.801 -0.194) 1.867 4.708 ( -0.752 -1.241 -0.444) 1.517 4.849 ( -2.251 3.652 -2.894) 5.175 4.933 ( -2.633 -3.963 -1.659) 5.039 5.018 ( -10.868 4.693 2.364) 12.072 5.139 ( -11.887 -6.417 1.363) 13.577 5.406 ( -6.489 2.708 -2.910) 7.610 5.468 ( -10.587 -2.710 -0.379) 10.935 5.503 ( -8.460 1.466 -4.438) 9.665 5.550 ( -10.403 -2.134 -1.155) 10.682 5.878 ( -5.762 4.361 0.428) 7.239 5.963 ( -7.312 -3.666 0.321) 8.186 6.284 ( 0.590 2.839 -2.587) 3.886 6.337 ( 0.304 -1.786 -1.548) 2.383 6.491 ( -2.588 1.897 -1.060) 3.380 6.545 ( -3.425 -3.191 -2.320) 5.224 6.645 ( 2.400 1.043 -0.316) 2.636 6.679 ( 0.106 -2.624 1.678) 3.116 7.000 ( -2.912 3.756 -3.514) 5.911 7.068 ( -3.661 -1.924 -1.522) 4.407 7.164 ( 2.948 0.574 -1.102) 3.199 7.192 ( 3.690 -1.508 0.403) 4.007 7.533 ( 7.704 1.415 0.919) 7.886 7.578 ( 5.901 -2.358 0.062) 6.355 7.658 ( 4.222 3.573 4.151) 6.915 7.732 ( 3.302 -2.639 4.180) 5.945 8.000 ( -0.563 9.577 0.085) 9.594 8.230 ( -2.428 -12.128 4.483) 13.156 8.430 ( 2.770 4.060 -1.555) 5.155 8.528 ( 2.564 -5.015 -2.905) 6.338 8.762 ( -5.428 3.390 -3.678) 7.381 8.838 ( -2.898 -3.523 -2.446) 5.176 9.196 ( -0.583 1.322 2.706) 3.067 9.205 ( 0.513 0.237 1.591) 1.688 9.433 ( 6.259 1.168 3.508) 7.269 9.470 ( 6.095 -2.238 0.411) 6.506 9.676 ( -2.842 1.536 2.593) 4.142 9.705 ( -3.594 -0.825 1.366) 3.932 9.885 ( -0.164 1.760 1.366) 2.234 9.908 ( -1.285 -0.202 -0.299) 1.335 10.255 ( -8.710 2.798 -0.760) 9.180 10.316 ( -7.060 -2.631 -0.578) 7.557 11.123 ( -2.573 2.733 0.670) 3.813 11.209 ( -2.742 -5.175 1.549) 6.058 11.388 ( 0.807 0.866 0.126) 1.190 11.415 ( 2.183 -1.334 -1.322) 2.880 12.255 ( 4.055 2.087 -0.316) 4.572 12.319 ( 5.179 -3.772 -1.712) 6.632 12.469 ( 0.825 1.676 -1.567) 2.439 12.502 ( 0.866 -1.469 -0.304) 1.732 12.864 ( -0.347 1.792 -0.167) 1.833 12.894 ( -0.640 -0.938 0.400) 1.204 13.390 ( -12.261 3.288 -4.124) 13.347 13.488 ( -17.822 -6.503 -7.757) 20.496 13.893 ( -2.004 4.431 -2.663) 5.544 13.959 ( -1.705 -2.108 -4.541) 5.289 14.200 ( -4.382 3.900 -3.037) 6.605 14.283 ( -2.570 1.506 3.421) 4.536 14.341 ( -3.717 -0.135 3.315) 4.982 14.447 ( -3.832 -4.683 3.341) 6.912 14.759 ( 0.680 7.700 5.841) 9.688 14.964 ( 1.754 -11.485 11.963) 16.676 15.991 ( 17.887 7.660 -6.180) 20.416 16.086 ( 15.385 -1.821 -6.647) 16.858 16.450 ( 2.487 4.709 1.027) 5.423 16.534 ( 4.687 -2.618 1.973) 5.720 16.784 ( 1.775 2.378 1.130) 3.176 16.866 ( 3.671 -4.460 5.830) 8.207 ======================= Grid point 134 (78/108) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.991 11.437 10.544) 15.683 1.024 ( 0.764 6.806 9.976) 12.101 1.107 ( 9.516 -1.669 18.900) 21.226 1.374 ( 13.333 -14.216 11.626) 22.694 1.722 ( 0.269 5.821 1.566) 6.034 1.815 ( 1.929 -5.023 -0.015) 5.381 1.917 ( -6.206 7.116 1.603) 9.577 2.095 ( -0.728 -5.574 -4.837) 7.416 2.205 ( 0.070 3.929 0.989) 4.052 2.307 ( -1.286 -1.918 -3.892) 4.526 2.380 ( 1.169 0.494 1.479) 1.949 2.424 ( 1.500 -3.848 0.684) 4.187 2.581 ( 3.862 3.711 -2.200) 5.790 2.660 ( -0.928 -3.916 0.789) 4.101 2.962 ( 3.784 6.259 -0.644) 7.342 2.977 ( 0.181 0.876 2.699) 2.843 3.043 ( -2.702 -3.965 3.641) 6.024 3.082 ( 5.402 -3.166 -2.528) 6.752 3.255 ( 3.788 2.790 0.020) 4.705 3.288 ( 3.912 0.502 1.036) 4.078 3.442 ( 11.713 4.080 3.657) 12.931 3.540 ( 10.624 -4.178 3.387) 11.908 3.994 ( -2.260 3.147 4.670) 6.068 4.051 ( -2.114 -2.113 2.713) 4.037 4.149 ( -5.776 3.961 -0.131) 7.005 4.243 ( 0.040 -4.628 -3.032) 5.533 4.382 ( 6.585 0.700 -2.845) 7.207 4.409 ( 2.645 -1.887 -2.082) 3.859 4.647 ( -5.314 1.271 0.312) 5.473 4.693 ( -2.359 -2.045 1.793) 3.601 4.771 ( -4.204 2.754 -1.432) 5.225 4.815 ( -6.606 -1.196 -2.251) 7.080 4.948 ( -2.971 0.165 2.646) 3.982 4.987 ( -7.704 -2.914 1.755) 8.421 5.277 ( -7.238 1.926 -0.362) 7.499 5.307 ( -7.770 -0.536 0.339) 7.796 5.369 ( 0.180 2.893 -4.198) 5.102 5.438 ( -2.209 -3.077 -3.184) 4.948 5.812 ( -3.548 3.436 0.997) 5.039 5.885 ( -3.250 -3.379 0.555) 4.721 6.237 ( -0.869 2.865 -5.452) 6.220 6.300 ( -1.008 -2.623 -4.734) 5.505 6.462 ( 0.217 0.782 -1.624) 1.816 6.480 ( -1.114 -1.384 -1.496) 2.323 6.666 ( 0.390 1.495 0.690) 1.692 6.702 ( 0.040 -2.198 1.885) 2.896 6.922 ( -1.618 2.896 -3.648) 4.931 6.981 ( -2.440 -2.255 -4.043) 5.233 7.208 ( 2.668 2.137 0.608) 3.472 7.260 ( 3.091 -2.570 1.344) 4.239 7.608 ( 2.651 1.605 -0.970) 3.247 7.650 ( 3.183 -2.560 1.106) 4.232 7.753 ( 1.462 3.333 4.627) 5.887 7.815 ( 1.009 -2.328 2.914) 3.864 7.944 ( -3.355 8.066 -3.344) 9.355 8.132 ( -7.728 -8.413 -3.411) 11.922 8.567 ( 6.963 1.586 3.949) 8.160 8.595 ( 1.888 -0.933 1.029) 2.344 8.634 ( 0.378 1.149 -3.134) 3.359 8.726 ( -2.313 -5.338 -4.523) 7.369 9.241 ( -1.537 1.816 6.338) 6.770 9.265 ( 0.774 -0.305 4.655) 4.729 9.471 ( -2.356 2.087 -0.044) 3.148 9.520 ( 0.869 -2.427 2.235) 3.412 9.722 ( 4.431 0.712 0.866) 4.571 9.736 ( 4.597 -0.344 0.480) 4.635 9.878 ( -1.369 0.782 -0.385) 1.623 9.891 ( -1.668 -0.355 0.255) 1.724 10.100 ( -8.912 4.017 -1.864) 9.952 10.189 ( -7.204 -3.806 -2.626) 8.561 11.108 ( -1.038 2.301 1.606) 2.992 11.176 ( -3.490 -4.255 1.346) 5.666 11.394 ( 0.318 1.663 -0.457) 1.754 11.429 ( 1.605 -1.497 -1.401) 2.604 12.308 ( 3.242 1.731 -0.461) 3.705 12.369 ( 4.351 -3.891 -2.080) 6.197 12.465 ( 0.930 2.109 -1.763) 2.902 12.512 ( 0.873 -2.023 -0.760) 2.331 12.791 ( -4.089 1.967 -5.221) 6.917 12.830 ( -4.647 -1.517 -3.525) 6.027 13.282 ( -1.470 1.038 4.921) 5.240 13.306 ( -2.800 -1.089 5.886) 6.609 13.838 ( -0.435 3.192 -2.635) 4.162 13.888 ( 0.338 -1.966 -5.200) 5.569 14.131 ( -3.830 7.292 0.797) 8.275 14.288 ( -3.474 -6.114 2.128) 7.347 14.303 ( -2.676 6.256 0.882) 6.861 14.447 ( -2.104 -6.237 4.963) 8.244 14.800 ( -1.351 11.792 1.594) 11.976 15.084 ( -0.808 -14.561 7.163) 16.248 16.159 ( 10.295 3.516 -3.171) 11.332 16.196 ( 8.121 -0.010 -4.917) 9.494 16.514 ( 3.500 7.167 1.811) 8.178 16.653 ( 6.577 -4.872 2.939) 8.696 16.814 ( 0.361 5.538 0.386) 5.563 16.977 ( 1.825 -8.885 4.020) 9.921 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 3.496 0.000 18.264) 18.596 1.296 ( -9.343 0.000 13.666) 16.554 1.500 ( -7.310 0.000 -8.540) 11.242 1.683 ( 7.045 0.000 -6.399) 9.517 1.876 ( 0.147 0.000 2.359) 2.364 1.916 ( 7.878 0.000 -7.458) 10.848 2.031 ( 4.697 0.000 3.847) 6.071 2.062 ( -4.855 0.000 2.850) 5.630 2.274 ( -3.509 0.000 1.457) 3.799 2.318 ( -2.766 0.000 -2.604) 3.799 2.327 ( 0.567 0.000 0.385) 0.685 2.351 ( 5.544 0.000 -0.874) 5.612 2.502 ( 2.896 0.000 16.758) 17.006 2.728 ( 0.254 0.000 -4.804) 4.811 2.989 ( 5.576 0.000 -6.582) 8.627 2.997 ( -1.165 0.000 -6.918) 7.015 3.123 ( -0.248 0.000 5.818) 5.823 3.193 ( -0.492 0.000 -0.417) 0.645 3.265 ( 0.618 0.000 5.384) 5.420 3.306 ( -0.226 0.000 1.684) 1.700 3.608 ( 14.321 0.000 1.931) 14.451 3.690 ( -16.670 0.000 -5.947) 17.699 3.884 ( 11.648 0.000 5.204) 12.757 4.000 ( -17.088 0.000 -2.995) 17.349 4.117 ( 2.931 0.000 -1.141) 3.145 4.134 ( -2.357 0.000 0.005) 2.357 4.330 ( -8.058 0.000 1.495) 8.195 4.409 ( 7.061 0.000 -6.332) 9.484 4.602 ( -0.865 0.000 5.545) 5.612 4.702 ( 1.163 0.000 -3.599) 3.782 4.828 ( 1.662 0.000 3.475) 3.852 4.840 ( 1.316 0.000 0.947) 1.621 4.983 ( -7.737 0.000 2.778) 8.221 5.067 ( 5.381 0.000 -4.451) 6.983 5.104 ( -2.335 0.000 0.891) 2.500 5.128 ( 3.605 0.000 -1.088) 3.766 5.373 ( 0.431 0.000 2.000) 2.046 5.421 ( 2.001 0.000 -2.849) 3.482 5.827 ( -0.573 0.000 5.598) 5.627 5.950 ( 0.004 0.000 -6.881) 6.881 6.090 ( 1.995 0.000 3.550) 4.072 6.160 ( -0.996 0.000 -4.251) 4.366 6.403 ( -0.869 0.000 1.290) 1.556 6.454 ( -0.869 0.000 -3.084) 3.204 6.714 ( -0.856 0.000 4.387) 4.470 6.741 ( -0.584 0.000 -0.080) 0.589 6.779 ( 2.238 0.000 -3.702) 4.326 6.812 ( -0.369 0.000 -5.006) 5.019 7.202 ( 4.193 0.000 1.093) 4.333 7.228 ( -5.081 0.000 -0.984) 5.175 7.576 ( -0.536 0.000 5.330) 5.357 7.693 ( 0.214 0.000 -5.051) 5.055 7.843 ( -0.437 0.000 1.369) 1.437 7.854 ( 0.996 0.000 1.105) 1.488 7.993 ( 2.283 0.000 4.006) 4.611 8.059 ( -3.469 0.000 -2.691) 4.391 8.424 ( 1.652 0.000 0.686) 1.789 8.472 ( -3.166 0.000 -4.348) 5.379 8.952 ( 1.462 0.000 3.376) 3.679 9.006 ( 1.670 0.000 -1.693) 2.379 9.364 ( -0.830 0.000 7.852) 7.895 9.400 ( -4.536 0.000 5.178) 6.884 9.460 ( 7.768 0.000 1.570) 7.925 9.566 ( -7.470 0.000 -9.188) 11.841 9.698 ( -1.607 0.000 0.309) 1.636 9.721 ( 1.171 0.000 -1.979) 2.299 9.825 ( -0.310 0.000 1.194) 1.233 9.839 ( 7.060 0.000 0.001) 7.060 9.878 ( -3.900 0.000 0.927) 4.008 9.952 ( -1.609 0.000 -5.811) 6.029 11.162 ( 3.900 0.000 1.527) 4.188 11.184 ( -4.538 0.000 -0.763) 4.602 11.375 ( -1.506 0.000 2.341) 2.783 11.420 ( 1.166 0.000 -2.183) 2.475 12.350 ( -2.294 0.000 1.012) 2.507 12.382 ( 1.656 0.000 -2.091) 2.668 12.507 ( 2.505 0.000 -0.414) 2.539 12.525 ( -1.824 0.000 -1.882) 2.621 12.674 ( 1.485 0.000 1.000) 1.790 12.705 ( -1.043 0.000 -1.934) 2.197 13.515 ( 5.158 0.000 6.731) 8.480 13.540 ( -1.741 0.000 4.897) 5.197 13.749 ( 3.796 0.000 -4.953) 6.240 13.750 ( -5.652 0.000 -4.907) 7.485 13.838 ( 5.444 0.000 5.255) 7.566 13.955 ( -4.970 0.000 -6.161) 7.916 14.301 ( 7.444 0.000 4.273) 8.583 14.385 ( -8.329 0.000 -4.088) 9.278 15.229 ( -3.405 0.000 19.457) 19.753 15.620 ( 3.467 0.000 -19.857) 20.157 15.980 ( -7.293 0.000 11.087) 13.271 16.126 ( 6.720 0.000 -4.438) 8.053 16.465 ( -0.522 0.000 5.414) 5.439 16.568 ( 1.473 0.000 -4.451) 4.688 17.054 ( 6.212 0.000 5.672) 8.412 17.186 ( -5.523 0.000 -7.351) 9.195 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -2.766 0.000 -14.613) 14.873 1.321 ( -20.484 0.000 14.317) 24.991 1.365 ( 5.355 0.000 15.878) 16.756 1.565 ( -5.133 0.000 -13.329) 14.283 1.835 ( -5.473 0.000 -3.961) 6.756 1.915 ( 3.072 0.000 -3.193) 4.431 2.112 ( 7.406 0.000 -1.614) 7.580 2.127 ( 1.681 0.000 -0.186) 1.692 2.258 ( -1.680 0.000 1.923) 2.553 2.261 ( -2.451 0.000 2.731) 3.670 2.354 ( 0.948 0.000 0.255) 0.982 2.415 ( 6.990 0.000 -4.201) 8.155 2.591 ( -3.494 0.000 -11.773) 12.281 2.655 ( -3.143 0.000 5.624) 6.443 2.887 ( -1.547 0.000 -6.400) 6.584 2.967 ( -2.342 0.000 2.167) 3.191 3.172 ( 0.863 0.000 -1.780) 1.978 3.174 ( -1.720 0.000 0.914) 1.948 3.253 ( -6.225 0.000 0.825) 6.279 3.279 ( -1.800 0.000 -1.062) 2.090 3.458 ( -8.133 0.000 -0.352) 8.141 3.721 ( -12.302 0.000 -2.709) 12.597 3.927 ( 16.362 0.000 5.458) 17.249 3.980 ( -10.554 0.000 5.196) 11.763 4.175 ( 5.671 0.000 -0.006) 5.671 4.184 ( 4.180 0.000 2.324) 4.783 4.245 ( -0.924 0.000 2.025) 2.226 4.393 ( -1.737 0.000 -0.154) 1.744 4.644 ( -3.570 0.000 3.697) 5.139 4.672 ( 0.693 0.000 -3.831) 3.893 4.881 ( 3.111 0.000 -1.178) 3.326 4.888 ( 1.536 0.000 -2.976) 3.349 4.984 ( 4.740 0.000 4.886) 6.808 5.095 ( 2.597 0.000 -0.982) 2.776 5.138 ( 8.797 0.000 -1.259) 8.887 5.163 ( 3.519 0.000 -1.883) 3.991 5.419 ( 2.836 0.000 1.518) 3.217 5.453 ( 8.086 0.000 -4.388) 9.200 5.908 ( 4.028 0.000 -5.497) 6.815 5.921 ( 3.123 0.000 6.568) 7.273 6.119 ( 2.350 0.000 -3.657) 4.346 6.169 ( 3.365 0.000 1.790) 3.811 6.397 ( -3.408 0.000 -0.965) 3.542 6.424 ( 0.173 0.000 4.342) 4.346 6.726 ( -1.970 0.000 -0.426) 2.016 6.742 ( -0.149 0.000 1.953) 1.958 6.781 ( 2.767 0.000 -2.079) 3.461 6.815 ( 4.081 0.000 0.785) 4.156 7.145 ( -3.973 0.000 -0.477) 4.002 7.286 ( 3.925 0.000 1.916) 4.367 7.625 ( 0.156 0.000 -5.829) 5.831 7.628 ( -2.572 0.000 6.090) 6.611 7.825 ( -3.074 0.000 -0.063) 3.075 7.833 ( -3.165 0.000 -1.924) 3.704 7.986 ( -2.433 0.000 -2.960) 3.832 8.091 ( 4.641 0.000 5.370) 7.097 8.426 ( 0.682 0.000 -0.993) 1.205 8.502 ( 4.811 0.000 3.481) 5.939 8.929 ( -7.375 0.000 -0.291) 7.381 8.929 ( -5.236 0.000 -4.343) 6.803 9.337 ( -7.999 0.000 -0.602) 8.022 9.394 ( -3.782 0.000 -0.894) 3.886 9.415 ( -3.332 0.000 2.512) 4.173 9.611 ( 1.086 0.000 4.220) 4.358 9.644 ( -1.044 0.000 2.804) 2.992 9.725 ( 1.169 0.000 0.312) 1.210 9.813 ( 3.409 0.000 -1.793) 3.852 9.820 ( 1.391 0.000 -3.556) 3.819 10.001 ( 9.044 0.000 -1.557) 9.177 10.030 ( 9.826 0.000 4.398) 10.765 11.138 ( -0.614 0.000 -1.276) 1.416 11.267 ( 6.512 0.000 1.925) 6.791 11.375 ( -2.310 0.000 2.499) 3.403 11.419 ( 2.636 0.000 -1.757) 3.168 12.312 ( -5.295 0.000 2.560) 5.882 12.368 ( -0.859 0.000 -1.348) 1.598 12.466 ( -2.707 0.000 -2.094) 3.423 12.527 ( 0.034 0.000 1.460) 1.460 12.674 ( -0.312 0.000 -1.821) 1.847 12.710 ( 1.322 0.000 1.496) 1.997 13.512 ( -2.029 0.000 -5.648) 6.001 13.615 ( 3.405 0.000 -3.417) 4.824 13.660 ( -2.909 0.000 3.881) 4.850 13.804 ( 3.186 0.000 2.166) 3.853 13.826 ( -0.408 0.000 -5.595) 5.610 14.014 ( 8.830 0.000 5.607) 10.460 14.222 ( -5.688 0.000 -2.823) 6.350 14.474 ( 7.236 0.000 4.396) 8.466 15.381 ( -6.673 0.000 19.212) 20.338 15.409 ( -0.673 0.000 -19.242) 19.254 15.937 ( -12.186 0.000 6.757) 13.934 16.125 ( 2.506 0.000 -7.300) 7.718 16.510 ( -1.104 0.000 4.026) 4.175 16.525 ( 0.901 0.000 -5.569) 5.641 16.986 ( -8.827 0.000 -6.496) 10.960 17.192 ( 2.385 0.000 5.529) 6.022 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -6.046 0.000 -12.007) 13.444 1.210 ( -8.439 0.000 5.791) 10.235 1.234 ( -6.193 0.000 -21.026) 21.919 1.649 ( 2.631 0.000 17.522) 17.719 1.759 ( -3.992 0.000 4.220) 5.809 1.805 ( -5.059 0.000 -13.911) 14.802 2.119 ( 0.187 0.000 0.326) 0.376 2.133 ( -2.962 0.000 -6.659) 7.288 2.223 ( 0.495 0.000 -3.218) 3.256 2.286 ( -1.430 0.000 2.318) 2.723 2.322 ( -0.957 0.000 -7.723) 7.782 2.463 ( 1.101 0.000 -2.690) 2.906 2.471 ( 5.889 0.000 -3.236) 6.720 2.584 ( -6.212 0.000 1.472) 6.384 2.820 ( 0.832 0.000 -3.997) 4.082 2.973 ( -1.714 0.000 0.935) 1.952 3.087 ( -3.419 0.000 -5.166) 6.195 3.129 ( -9.666 0.000 0.572) 9.683 3.201 ( 1.252 0.000 2.884) 3.145 3.258 ( -0.912 0.000 -2.280) 2.456 3.378 ( -4.042 0.000 0.915) 4.144 3.546 ( -8.845 0.000 -0.805) 8.882 3.846 ( -11.422 0.000 3.555) 11.962 4.094 ( -0.782 0.000 4.452) 4.520 4.142 ( -5.601 0.000 1.735) 5.864 4.248 ( 0.358 0.000 -2.569) 2.594 4.328 ( 2.833 0.000 -0.542) 2.884 4.431 ( 3.811 0.000 1.274) 4.019 4.610 ( -0.888 0.000 2.232) 2.402 4.647 ( -0.270 0.000 0.310) 0.411 4.871 ( 0.700 0.000 -5.142) 5.189 4.907 ( 5.606 0.000 -2.108) 5.989 5.078 ( 1.150 0.000 2.619) 2.860 5.166 ( 5.387 0.000 1.786) 5.675 5.202 ( 3.849 0.000 -1.212) 4.036 5.339 ( 13.476 0.000 2.468) 13.701 5.498 ( 4.688 0.000 3.007) 5.569 5.596 ( 17.361 0.000 -5.118) 18.100 5.934 ( 5.993 0.000 -4.206) 7.322 6.053 ( 4.013 0.000 5.148) 6.528 6.159 ( 8.243 0.000 -2.987) 8.768 6.245 ( 4.551 0.000 2.627) 5.255 6.340 ( -3.720 0.000 1.599) 4.049 6.496 ( 1.538 0.000 3.889) 4.183 6.681 ( -1.664 0.000 -1.991) 2.595 6.756 ( -0.492 0.000 1.085) 1.191 6.836 ( 3.441 0.000 2.337) 4.160 6.908 ( 4.747 0.000 3.185) 5.717 7.107 ( -1.338 0.000 0.975) 1.655 7.348 ( 2.236 0.000 -0.405) 2.272 7.561 ( -0.873 0.000 -4.750) 4.830 7.611 ( -6.467 0.000 2.622) 6.978 7.727 ( -6.504 0.000 -2.720) 7.050 7.768 ( -2.432 0.000 -1.355) 2.784 7.910 ( -2.693 0.000 -3.160) 4.151 8.289 ( 9.021 0.000 10.035) 13.494 8.432 ( -0.377 0.000 -0.486) 0.615 8.595 ( -1.184 0.000 2.409) 2.684 8.780 ( -6.694 0.000 -3.821) 7.708 8.794 ( -4.417 0.000 0.337) 4.430 9.235 ( -4.316 0.000 -0.179) 4.320 9.317 ( -7.367 0.000 -1.541) 7.526 9.353 ( -4.941 0.000 3.887) 6.287 9.605 ( -3.634 0.000 4.223) 5.572 9.729 ( 2.635 0.000 -0.151) 2.639 9.738 ( -0.950 0.000 0.713) 1.188 9.840 ( 7.806 0.000 -5.329) 9.451 9.871 ( 5.994 0.000 -1.770) 6.250 10.142 ( 10.139 0.000 0.047) 10.139 10.224 ( 7.886 0.000 4.866) 9.266 11.125 ( 1.226 0.000 -1.808) 2.185 11.332 ( 0.184 0.000 -0.386) 0.427 11.359 ( -3.674 0.000 2.542) 4.468 11.519 ( 9.537 0.000 1.203) 9.612 12.250 ( -7.524 0.000 3.896) 8.473 12.322 ( -3.400 0.000 -0.946) 3.529 12.407 ( -1.394 0.000 -1.850) 2.317 12.578 ( 2.131 0.000 6.199) 6.555 12.645 ( -0.798 0.000 -1.934) 2.092 12.751 ( 0.941 0.000 2.560) 2.727 13.420 ( 0.413 0.000 -5.527) 5.543 13.571 ( 1.309 0.000 -6.288) 6.423 13.710 ( -0.149 0.000 7.244) 7.245 13.753 ( 0.517 0.000 -2.546) 2.598 13.914 ( 3.135 0.000 2.748) 4.168 14.184 ( 2.694 0.000 -0.458) 2.733 14.236 ( 11.999 0.000 4.781) 12.917 14.596 ( 4.141 0.000 0.797) 4.217 15.166 ( -3.458 0.000 -16.166) 16.532 15.462 ( -10.797 0.000 17.202) 20.310 15.761 ( -16.900 0.000 1.726) 16.988 16.042 ( 0.726 0.000 -10.805) 10.830 16.473 ( 1.255 0.000 -5.785) 5.920 16.519 ( -2.069 0.000 1.719) 2.690 16.790 ( -8.457 0.000 -3.603) 9.192 17.237 ( -1.913 0.000 1.230) 2.274 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 1.606 0.000 -8.843) 8.987 0.984 ( 4.452 0.000 -14.437) 15.108 1.205 ( 2.563 0.000 0.097) 2.565 1.515 ( -4.727 0.000 -17.495) 18.122 1.710 ( -9.190 0.000 8.313) 12.392 1.874 ( -6.021 0.000 -3.761) 7.099 1.939 ( -1.167 0.000 2.380) 2.651 2.124 ( 0.527 0.000 -1.482) 1.573 2.198 ( -3.138 0.000 -1.215) 3.365 2.208 ( 0.955 0.000 -4.414) 4.516 2.260 ( -3.555 0.000 1.579) 3.890 2.492 ( -2.771 0.000 1.988) 3.411 2.504 ( 2.343 0.000 2.927) 3.750 2.574 ( 2.435 0.000 0.433) 2.473 2.804 ( 3.967 0.000 -5.785) 7.015 2.927 ( -2.026 0.000 -3.330) 3.898 2.978 ( -11.302 0.000 2.501) 11.576 2.983 ( -0.911 0.000 -6.390) 6.455 3.174 ( -3.383 0.000 -5.718) 6.644 3.240 ( -0.282 0.000 0.530) 0.600 3.328 ( -1.354 0.000 -3.123) 3.404 3.413 ( -9.377 0.000 1.805) 9.549 3.729 ( -7.762 0.000 1.491) 7.904 4.052 ( -6.723 0.000 -2.403) 7.140 4.081 ( -5.727 0.000 2.824) 6.385 4.182 ( -3.048 0.000 -1.741) 3.510 4.370 ( 4.642 0.000 0.802) 4.711 4.390 ( -8.285 0.000 3.153) 8.865 4.672 ( -0.067 0.000 3.231) 3.232 4.695 ( 8.664 0.000 -3.471) 9.334 4.804 ( 1.056 0.000 -7.598) 7.671 5.031 ( 9.057 0.000 1.616) 9.200 5.095 ( 0.069 0.000 0.073) 0.101 5.270 ( 4.096 0.000 3.003) 5.078 5.285 ( 4.408 0.000 4.559) 6.341 5.483 ( 2.424 0.000 2.569) 3.532 5.656 ( 7.400 0.000 4.585) 8.705 5.805 ( 16.274 0.000 -6.012) 17.349 5.978 ( 5.160 0.000 -2.948) 5.942 6.156 ( 4.510 0.000 2.374) 5.096 6.278 ( 4.344 0.000 1.442) 4.577 6.364 ( 8.681 0.000 0.541) 8.698 6.383 ( 7.041 0.000 4.119) 8.157 6.533 ( -0.421 0.000 -0.262) 0.496 6.641 ( -1.304 0.000 0.571) 1.424 6.748 ( -2.006 0.000 0.751) 2.142 6.921 ( 2.312 0.000 3.818) 4.463 7.014 ( 2.856 0.000 2.733) 3.953 7.128 ( 2.335 0.000 2.453) 3.386 7.340 ( 1.832 0.000 -5.335) 5.641 7.460 ( -6.895 0.000 -3.837) 7.891 7.506 ( -8.680 0.000 0.006) 8.680 7.583 ( -6.903 0.000 -3.519) 7.748 7.738 ( 1.706 0.000 -2.241) 2.816 7.829 ( -3.545 0.000 -2.711) 4.463 8.335 ( -8.279 0.000 -3.988) 9.189 8.540 ( -3.952 0.000 2.421) 4.635 8.579 ( 7.470 0.000 14.231) 16.072 8.686 ( -1.763 0.000 -0.022) 1.763 8.831 ( 1.836 0.000 2.883) 3.418 9.191 ( -2.964 0.000 1.331) 3.249 9.199 ( -4.586 0.000 -2.413) 5.182 9.326 ( -4.987 0.000 4.964) 7.037 9.551 ( -6.667 0.000 -0.875) 6.724 9.721 ( -0.804 0.000 -0.846) 1.167 9.733 ( 2.197 0.000 -3.604) 4.221 9.903 ( 7.040 0.000 -4.404) 8.304 9.940 ( 6.022 0.000 -2.696) 6.598 10.301 ( 9.184 0.000 1.153) 9.256 10.378 ( 5.190 0.000 4.081) 6.602 11.139 ( 2.867 0.000 -0.781) 2.971 11.309 ( -1.065 0.000 -1.380) 1.743 11.323 ( -4.671 0.000 2.420) 5.260 11.617 ( 2.797 0.000 -3.047) 4.136 12.183 ( -7.168 0.000 4.400) 8.411 12.248 ( -4.010 0.000 -1.161) 4.175 12.390 ( 0.753 0.000 -0.288) 0.806 12.603 ( -1.257 0.000 -2.278) 2.602 12.730 ( 2.291 0.000 9.971) 10.231 12.797 ( 0.862 0.000 2.689) 2.824 13.418 ( 4.319 0.000 -0.688) 4.373 13.629 ( 8.453 0.000 6.193) 10.479 13.769 ( 3.059 0.000 1.089) 3.247 13.810 ( 0.617 0.000 8.707) 8.729 13.985 ( 2.811 0.000 2.688) 3.890 14.242 ( 5.360 0.000 -1.812) 5.658 14.469 ( 10.115 0.000 1.188) 10.184 14.632 ( 5.119 0.000 -1.804) 5.427 14.939 ( -4.997 0.000 -11.233) 12.294 15.439 ( -17.041 0.000 12.314) 21.025 15.483 ( -16.190 0.000 -1.674) 16.276 15.904 ( 1.663 0.000 -15.579) 15.667 16.431 ( 1.611 0.000 -5.337) 5.575 16.490 ( -2.598 0.000 -0.266) 2.611 16.656 ( -6.333 0.000 0.711) 6.373 17.167 ( -3.884 0.000 -4.942) 6.286 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 8.469 0.000 -6.360) 10.591 1.057 ( 14.362 0.000 -2.841) 14.641 1.234 ( 6.073 0.000 -4.314) 7.449 1.418 ( 12.318 0.000 -6.978) 14.157 1.563 ( -11.094 0.000 -11.033) 15.646 1.622 ( -15.944 0.000 6.008) 17.038 1.886 ( -10.828 0.000 -0.086) 10.829 2.083 ( -1.677 0.000 -5.864) 6.099 2.162 ( 0.858 0.000 -1.736) 1.937 2.226 ( -2.444 0.000 0.295) 2.461 2.344 ( 6.077 0.000 13.046) 14.392 2.457 ( -5.498 0.000 4.426) 7.058 2.568 ( 1.296 0.000 1.887) 2.289 2.610 ( 1.181 0.000 0.086) 1.184 2.799 ( 5.267 0.000 -7.475) 9.144 2.827 ( -7.922 0.000 1.736) 8.110 2.890 ( -3.268 0.000 0.201) 3.274 2.924 ( 3.915 0.000 -6.832) 7.874 3.046 ( -3.082 0.000 -6.270) 6.986 3.188 ( -2.940 0.000 -4.627) 5.482 3.282 ( 3.085 0.000 -5.677) 6.461 3.299 ( -9.885 0.000 3.913) 10.631 3.643 ( -3.971 0.000 -0.482) 4.000 3.858 ( -9.360 0.000 -7.000) 11.688 4.036 ( -5.317 0.000 4.130) 6.732 4.131 ( -0.692 0.000 -2.458) 2.553 4.327 ( -6.407 0.000 6.648) 9.233 4.489 ( 5.797 0.000 4.099) 7.100 4.663 ( -0.903 0.000 -5.169) 5.247 4.768 ( 6.909 0.000 -5.045) 8.555 4.787 ( 3.308 0.000 0.966) 3.446 5.040 ( -2.217 0.000 -2.364) 3.241 5.223 ( 7.817 0.000 4.134) 8.843 5.377 ( -0.898 0.000 5.571) 5.643 5.386 ( 5.451 0.000 3.297) 6.371 5.522 ( 0.123 0.000 1.142) 1.149 5.786 ( 2.904 0.000 4.321) 5.206 5.918 ( 7.534 0.000 -6.201) 9.758 6.039 ( 5.849 0.000 -0.057) 5.849 6.260 ( 5.360 0.000 1.381) 5.535 6.325 ( -0.256 0.000 3.537) 3.546 6.455 ( -3.405 0.000 -3.809) 5.109 6.523 ( 6.061 0.000 -0.572) 6.088 6.564 ( 13.371 0.000 -0.805) 13.395 6.683 ( 0.684 0.000 5.918) 5.957 6.715 ( -2.758 0.000 0.584) 2.819 6.984 ( -0.750 0.000 4.873) 4.931 7.031 ( -0.251 0.000 -1.358) 1.381 7.224 ( 2.545 0.000 2.779) 3.768 7.257 ( -12.042 0.000 -4.166) 12.743 7.318 ( 5.943 0.000 -7.082) 9.245 7.364 ( -10.145 0.000 1.787) 10.302 7.464 ( -0.668 0.000 -4.334) 4.386 7.725 ( -4.690 0.000 -3.677) 5.959 7.781 ( 6.155 0.000 -1.444) 6.323 8.118 ( -13.042 0.000 -2.680) 13.315 8.579 ( 2.348 0.000 5.098) 5.612 8.700 ( 1.209 0.000 1.631) 2.031 8.793 ( 1.187 0.000 7.862) 7.951 8.859 ( -0.782 0.000 0.291) 0.835 9.146 ( 0.493 0.000 0.667) 0.829 9.152 ( -5.128 0.000 3.065) 5.974 9.329 ( -1.786 0.000 3.844) 4.239 9.411 ( -4.895 0.000 -5.673) 7.493 9.700 ( -0.766 0.000 -0.521) 0.926 9.724 ( 1.193 0.000 -2.558) 2.823 9.944 ( 3.748 0.000 -2.850) 4.709 9.985 ( 4.549 0.000 -3.727) 5.881 10.437 ( 6.399 0.000 1.062) 6.486 10.475 ( 2.018 0.000 2.900) 3.533 11.198 ( 4.208 0.000 1.362) 4.423 11.278 ( -0.484 0.000 -1.450) 1.529 11.279 ( -4.382 0.000 2.435) 5.013 11.552 ( -2.504 0.000 -6.572) 7.033 12.138 ( -5.062 0.000 4.085) 6.505 12.191 ( -1.201 0.000 -1.351) 1.808 12.416 ( 1.855 0.000 1.031) 2.122 12.555 ( -1.414 0.000 -2.382) 2.771 12.818 ( -1.454 0.000 4.689) 4.910 12.833 ( 0.914 0.000 1.094) 1.425 13.537 ( 7.786 0.000 4.510) 8.998 13.787 ( 2.739 0.000 2.218) 3.524 13.912 ( -0.934 0.000 7.774) 7.830 13.940 ( 3.919 0.000 7.233) 8.226 14.117 ( 8.440 0.000 8.810) 12.201 14.325 ( 7.232 0.000 5.214) 8.915 14.466 ( -2.510 0.000 -4.252) 4.938 14.744 ( -5.038 0.000 -6.036) 7.862 14.852 ( 17.362 0.000 1.141) 17.399 15.162 ( -15.850 0.000 -3.651) 16.265 15.329 ( -17.654 0.000 8.734) 19.696 15.723 ( 3.535 0.000 -22.718) 22.991 16.400 ( 1.368 0.000 -3.531) 3.787 16.441 ( -2.515 0.000 -1.053) 2.727 16.619 ( -3.042 0.000 5.294) 6.106 17.024 ( -3.401 0.000 -9.024) 9.644 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 6.906 0.000 3.673) 7.822 1.073 ( -4.160 0.000 -14.824) 15.396 1.320 ( -13.460 0.000 1.367) 13.530 1.381 ( 15.830 0.000 -4.085) 16.349 1.504 ( -10.914 0.000 7.615) 13.308 1.594 ( 14.449 0.000 -1.829) 14.564 1.761 ( -0.489 0.000 3.237) 3.273 1.900 ( -7.945 0.000 -9.560) 12.430 2.168 ( 0.126 0.000 1.097) 1.105 2.200 ( 0.275 0.000 -1.975) 1.994 2.466 ( -1.774 0.000 6.956) 7.178 2.553 ( 1.000 0.000 4.570) 4.678 2.590 ( 4.572 0.000 -0.289) 4.581 2.623 ( 0.219 0.000 0.896) 0.922 2.730 ( -8.830 0.000 1.937) 9.040 2.800 ( 5.235 0.000 -3.964) 6.567 2.858 ( -2.169 0.000 1.418) 2.591 2.942 ( 4.743 0.000 -6.846) 8.329 2.972 ( 1.555 0.000 0.950) 1.823 3.064 ( -4.388 0.000 -5.953) 7.395 3.207 ( -7.332 0.000 3.850) 8.281 3.304 ( 8.099 0.000 -5.811) 9.968 3.618 ( 1.792 0.000 0.511) 1.863 3.666 ( -4.603 0.000 -4.810) 6.657 4.021 ( -3.201 0.000 4.817) 5.784 4.105 ( 1.357 0.000 -2.630) 2.959 4.353 ( -2.775 0.000 9.236) 9.644 4.563 ( 3.338 0.000 -10.479) 10.998 4.617 ( -0.975 0.000 7.060) 7.127 4.770 ( 2.719 0.000 -7.763) 8.225 4.882 ( 4.272 0.000 3.831) 5.738 4.962 ( -2.699 0.000 -4.037) 4.856 5.375 ( 4.674 0.000 4.918) 6.785 5.375 ( -6.821 0.000 4.152) 7.986 5.491 ( 5.093 0.000 -0.037) 5.093 5.510 ( -1.468 0.000 -1.626) 2.191 5.841 ( -1.639 0.000 3.443) 3.813 5.914 ( 1.036 0.000 -4.442) 4.561 6.167 ( 7.460 0.000 3.774) 8.360 6.246 ( -7.099 0.000 -3.601) 7.960 6.343 ( -3.569 0.000 3.253) 4.829 6.403 ( 2.999 0.000 -2.989) 4.234 6.592 ( 2.387 0.000 0.670) 2.479 6.627 ( -1.711 0.000 -2.490) 3.021 6.740 ( -0.831 0.000 1.948) 2.118 6.758 ( 6.267 0.000 -0.279) 6.273 7.009 ( -6.314 0.000 4.910) 7.998 7.036 ( 4.642 0.000 -0.617) 4.683 7.078 ( -2.455 0.000 0.959) 2.636 7.190 ( -1.686 0.000 -6.119) 6.346 7.252 ( -10.237 0.000 5.430) 11.588 7.367 ( 9.866 0.000 -5.973) 11.533 7.517 ( 6.836 0.000 2.109) 7.154 7.590 ( -6.304 0.000 -4.549) 7.774 7.901 ( 10.357 0.000 -0.296) 10.361 7.905 ( -11.284 0.000 -0.909) 11.320 8.696 ( 4.877 0.000 4.213) 6.445 8.723 ( -2.342 0.000 1.129) 2.600 8.816 ( -3.692 0.000 -0.863) 3.791 8.820 ( 1.137 0.000 -0.576) 1.274 9.140 ( -2.225 0.000 5.423) 5.862 9.209 ( 2.472 0.000 1.502) 2.893 9.312 ( -0.537 0.000 -1.878) 1.954 9.329 ( -2.045 0.000 0.229) 2.058 9.685 ( -1.399 0.000 0.779) 1.601 9.709 ( -0.005 0.000 -1.390) 1.390 9.954 ( 0.409 0.000 -0.757) 0.860 9.988 ( 1.540 0.000 -3.897) 4.190 10.503 ( -1.867 0.000 1.439) 2.357 10.513 ( 2.236 0.000 0.266) 2.251 11.241 ( -1.653 0.000 1.363) 2.142 11.264 ( 0.379 0.000 -1.026) 1.094 11.307 ( 3.490 0.000 4.819) 5.950 11.422 ( -3.361 0.000 -6.650) 7.452 12.124 ( -2.334 0.000 3.379) 4.107 12.181 ( 2.519 0.000 -2.161) 3.319 12.462 ( 1.903 0.000 1.661) 2.526 12.504 ( -1.542 0.000 -2.447) 2.893 12.830 ( -1.531 0.000 2.259) 2.729 12.853 ( 1.263 0.000 -0.320) 1.303 13.733 ( 8.582 0.000 5.590) 10.242 13.793 ( -4.913 0.000 -1.095) 5.034 13.939 ( -3.855 0.000 3.365) 5.117 13.985 ( 2.094 0.000 -0.095) 2.096 14.285 ( 8.125 0.000 0.314) 8.131 14.352 ( -5.819 0.000 -5.032) 7.693 14.648 ( 7.592 0.000 14.644) 16.495 14.655 ( -3.621 0.000 4.283) 5.609 14.942 ( -11.079 0.000 6.873) 13.038 15.132 ( -18.371 0.000 6.843) 19.604 15.142 ( 19.184 0.000 -3.618) 19.522 15.483 ( 5.761 0.000 -28.076) 28.661 16.394 ( -2.185 0.000 -0.690) 2.291 16.397 ( 1.790 0.000 -1.085) 2.093 16.680 ( -0.196 0.000 8.923) 8.925 16.871 ( -1.647 0.000 -9.830) 9.967 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -6.998 0.000 -10.442) 12.570 0.992 ( -5.104 0.000 4.833) 7.029 1.169 ( -5.340 0.000 1.977) 5.695 1.325 ( -17.003 0.000 3.478) 17.355 1.464 ( 3.216 0.000 -2.939) 4.357 1.751 ( 13.726 0.000 -5.590) 14.820 1.836 ( 3.289 0.000 4.760) 5.786 1.938 ( 6.711 0.000 7.780) 10.275 2.174 ( -0.191 0.000 -3.011) 3.017 2.198 ( 1.273 0.000 2.850) 3.122 2.530 ( -1.335 0.000 0.566) 1.450 2.546 ( 1.675 0.000 -2.802) 3.265 2.580 ( -5.505 0.000 -3.790) 6.684 2.634 ( 1.894 0.000 -3.457) 3.942 2.652 ( -0.099 0.000 4.635) 4.636 2.852 ( -1.240 0.000 1.735) 2.133 2.854 ( 3.346 0.000 -1.844) 3.820 2.954 ( 6.859 0.000 -3.321) 7.621 2.969 ( -0.947 0.000 0.256) 0.981 3.073 ( 4.096 0.000 5.468) 6.832 3.177 ( -2.771 0.000 4.440) 5.234 3.373 ( 8.305 0.000 -4.109) 9.265 3.632 ( 3.332 0.000 -0.101) 3.333 3.733 ( 8.654 0.000 4.867) 9.928 4.053 ( 0.052 0.000 4.698) 4.698 4.113 ( 3.294 0.000 -2.414) 4.084 4.429 ( -2.701 0.000 8.836) 9.239 4.496 ( 4.509 0.000 -9.544) 10.555 4.658 ( -4.351 0.000 5.942) 7.365 4.682 ( -0.394 0.000 -8.282) 8.292 4.870 ( -1.917 0.000 -5.389) 5.720 4.986 ( 3.692 0.000 2.885) 4.685 5.267 ( -10.898 0.000 0.875) 10.933 5.445 ( -2.885 0.000 -3.278) 4.367 5.459 ( 1.211 0.000 -0.001) 1.211 5.533 ( 1.928 0.000 -1.440) 2.407 5.820 ( -6.721 0.000 3.579) 7.614 5.857 ( -3.101 0.000 -2.977) 4.299 6.067 ( -8.892 0.000 -3.203) 9.451 6.277 ( -4.514 0.000 0.040) 4.514 6.338 ( 4.017 0.000 6.482) 7.626 6.387 ( -0.968 0.000 -2.475) 2.658 6.553 ( -9.570 0.000 0.097) 9.571 6.556 ( -3.259 0.000 -2.670) 4.214 6.737 ( 2.546 0.000 -1.423) 2.917 6.789 ( 1.232 0.000 -4.291) 4.464 6.985 ( -0.382 0.000 3.239) 3.261 7.082 ( -4.135 0.000 -2.811) 5.001 7.161 ( 2.474 0.000 3.265) 4.097 7.170 ( 3.459 0.000 6.778) 7.610 7.219 ( 4.929 0.000 3.035) 5.788 7.431 ( -2.425 0.000 -6.207) 6.664 7.475 ( 8.353 0.000 -3.220) 8.952 7.647 ( 3.987 0.000 4.090) 5.712 7.766 ( -5.380 0.000 -0.201) 5.384 8.079 ( 11.359 0.000 1.500) 11.458 8.654 ( -3.824 0.000 -2.329) 4.478 8.730 ( -2.648 0.000 -1.519) 3.053 8.832 ( 4.012 0.000 3.062) 5.047 8.857 ( 2.298 0.000 0.269) 2.313 9.184 ( -1.100 0.000 1.149) 1.591 9.219 ( 2.800 0.000 -3.764) 4.691 9.292 ( -0.726 0.000 2.952) 3.040 9.348 ( 2.108 0.000 2.432) 3.219 9.675 ( -2.311 0.000 2.315) 3.271 9.696 ( -0.449 0.000 -0.055) 0.452 9.940 ( -2.715 0.000 -2.727) 3.848 9.941 ( -1.834 0.000 0.447) 1.888 10.451 ( -5.693 0.000 -0.150) 5.695 10.510 ( -2.243 0.000 -0.647) 2.335 11.233 ( -3.786 0.000 -1.878) 4.226 11.244 ( -0.304 0.000 1.954) 1.978 11.340 ( 2.491 0.000 -3.984) 4.699 11.428 ( 3.539 0.000 5.881) 6.864 12.148 ( 0.654 0.000 2.879) 2.953 12.214 ( 5.698 0.000 -3.344) 6.607 12.451 ( -1.561 0.000 -2.363) 2.833 12.511 ( 1.624 0.000 1.957) 2.543 12.833 ( -0.671 0.000 1.128) 1.312 12.868 ( 1.536 0.000 -1.004) 1.835 13.628 ( -9.923 0.000 -4.498) 10.895 13.832 ( -0.925 0.000 -2.304) 2.483 13.955 ( 1.630 0.000 5.120) 5.374 14.030 ( 4.197 0.000 -2.883) 5.092 14.191 ( -6.705 0.000 -4.202) 7.913 14.402 ( 4.546 0.000 1.072) 4.671 14.621 ( -7.162 0.000 -7.204) 10.158 14.671 ( -3.668 0.000 1.001) 3.802 14.850 ( -15.938 0.000 1.348) 15.995 15.171 ( 8.195 0.000 -13.944) 16.174 15.211 ( -0.149 0.000 27.971) 27.972 15.499 ( 20.618 0.000 -8.214) 22.194 16.362 ( -1.830 0.000 0.533) 1.906 16.426 ( 2.524 0.000 0.326) 2.545 16.758 ( 1.060 0.000 -8.223) 8.291 16.815 ( 2.013 0.000 11.542) 11.716 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.015 0.000 -1.165) 1.165 0.800 ( -15.645 0.000 2.844) 15.902 1.151 ( -11.432 0.000 7.354) 13.593 1.260 ( 11.361 0.000 4.872) 12.362 1.620 ( 5.263 0.000 12.952) 13.980 1.892 ( 9.552 0.000 -4.326) 10.486 1.924 ( -0.735 0.000 6.028) 6.073 2.062 ( 1.523 0.000 4.037) 4.315 2.135 ( -1.129 0.000 -0.122) 1.136 2.264 ( 2.475 0.000 1.941) 3.145 2.331 ( -7.918 0.000 -11.590) 14.036 2.517 ( -4.607 0.000 0.756) 4.669 2.566 ( 2.000 0.000 0.205) 2.010 2.587 ( 0.306 0.000 -6.306) 6.314 2.773 ( 9.956 0.000 -1.523) 10.072 2.876 ( 1.569 0.000 0.785) 1.755 2.886 ( 1.899 0.000 3.499) 3.981 3.042 ( 3.229 0.000 7.063) 7.766 3.049 ( 10.233 0.000 -3.751) 10.898 3.188 ( 2.288 0.000 4.626) 5.161 3.230 ( 1.661 0.000 5.826) 6.058 3.457 ( 6.662 0.000 -1.920) 6.933 3.728 ( 7.196 0.000 1.271) 7.308 3.951 ( 9.212 0.000 6.623) 11.345 4.121 ( 1.824 0.000 3.862) 4.271 4.144 ( 4.432 0.000 -2.449) 5.064 4.403 ( -6.344 0.000 -1.073) 6.434 4.488 ( 6.193 0.000 -6.350) 8.870 4.629 ( -5.913 0.000 3.663) 6.956 4.655 ( 2.314 0.000 2.194) 3.189 4.783 ( -1.087 0.000 -5.259) 5.370 5.049 ( -1.615 0.000 0.553) 1.707 5.088 ( -8.765 0.000 0.177) 8.767 5.349 ( -3.813 0.000 -4.334) 5.773 5.387 ( -5.542 0.000 -5.271) 7.648 5.532 ( -0.267 0.000 -1.590) 1.612 5.705 ( -13.897 0.000 3.835) 14.416 5.739 ( -7.022 0.000 -4.134) 8.149 5.933 ( -7.202 0.000 1.175) 7.297 6.200 ( -2.860 0.000 -1.866) 3.415 6.293 ( -11.944 0.000 -0.425) 11.952 6.402 ( -2.653 0.000 -2.790) 3.850 6.434 ( -3.376 0.000 1.582) 3.729 6.494 ( 1.935 0.000 -0.267) 1.953 6.721 ( -1.026 0.000 -5.886) 5.975 6.764 ( 1.895 0.000 -0.811) 2.061 6.986 ( -4.650 0.000 -1.444) 4.869 7.029 ( 0.690 0.000 1.483) 1.635 7.207 ( -2.336 0.000 -4.197) 4.804 7.212 ( 0.371 0.000 5.030) 5.044 7.410 ( 10.199 0.000 2.379) 10.473 7.414 ( 4.483 0.000 4.646) 6.456 7.607 ( 11.884 0.000 -2.808) 12.211 7.682 ( -2.251 0.000 3.104) 3.834 7.778 ( 2.798 0.000 2.233) 3.580 8.266 ( 8.669 0.000 2.981) 9.168 8.591 ( 0.339 0.000 -2.386) 2.410 8.684 ( -1.916 0.000 -0.030) 1.916 8.833 ( -2.793 0.000 -9.328) 9.737 8.876 ( 0.765 0.000 -1.441) 1.632 9.149 ( 1.122 0.000 1.622) 1.972 9.212 ( -0.218 0.000 -1.168) 1.188 9.413 ( 6.241 0.000 -2.675) 6.790 9.441 ( 7.008 0.000 9.993) 12.205 9.667 ( -2.524 0.000 2.744) 3.728 9.698 ( -0.190 0.000 1.307) 1.320 9.848 ( -6.854 0.000 0.356) 6.863 9.909 ( -2.835 0.000 0.323) 2.853 10.330 ( -8.666 0.000 -1.429) 8.783 10.435 ( -5.596 0.000 -1.617) 5.825 11.143 ( -4.083 0.000 -1.260) 4.273 11.274 ( 0.853 0.000 2.084) 2.252 11.369 ( 4.501 0.000 -2.224) 5.020 11.537 ( 1.629 0.000 4.876) 5.141 12.212 ( 3.322 0.000 2.652) 4.250 12.273 ( 7.740 0.000 -4.453) 8.930 12.407 ( -0.722 0.000 -1.862) 1.997 12.557 ( 1.241 0.000 2.207) 2.532 12.831 ( -0.382 0.000 -0.485) 0.617 12.866 ( 0.558 0.000 -3.207) 3.255 13.436 ( -8.590 0.000 -2.416) 8.923 13.759 ( -3.442 0.000 -2.839) 4.461 13.926 ( -7.356 0.000 -11.547) 13.692 13.999 ( 1.114 0.000 -9.620) 9.684 14.063 ( -5.473 0.000 -4.903) 7.348 14.269 ( -9.010 0.000 -11.278) 14.435 14.434 ( -2.783 0.000 3.021) 4.108 14.614 ( -11.463 0.000 -0.050) 11.463 14.738 ( 0.413 0.000 9.480) 9.489 15.351 ( 15.376 0.000 8.344) 17.494 15.515 ( -0.207 0.000 23.251) 23.252 15.697 ( 18.594 0.000 -11.279) 21.747 16.352 ( -1.553 0.000 2.332) 2.802 16.478 ( 3.219 0.000 0.810) 3.319 16.720 ( 4.316 0.000 -5.151) 6.721 17.004 ( 4.559 0.000 11.607) 12.470 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -1.217 0.000 8.410) 8.497 0.806 ( -0.609 0.000 20.502) 20.511 1.214 ( 7.322 0.000 8.692) 11.365 1.559 ( 16.093 0.000 6.409) 17.323 1.818 ( -9.578 0.000 20.654) 22.766 1.926 ( 5.670 0.000 -7.953) 9.767 1.950 ( 4.200 0.000 -1.718) 4.538 2.082 ( -9.410 0.000 -4.424) 10.398 2.103 ( -0.540 0.000 1.519) 1.612 2.182 ( 2.947 0.000 4.091) 5.042 2.318 ( 2.862 0.000 0.751) 2.959 2.470 ( -1.533 0.000 -1.198) 1.946 2.473 ( -5.335 0.000 -4.032) 6.687 2.622 ( 5.202 0.000 -2.113) 5.615 2.873 ( 7.817 0.000 -4.436) 8.988 2.930 ( 2.032 0.000 3.257) 3.839 2.978 ( 3.526 0.000 4.673) 5.854 3.161 ( 8.159 0.000 -2.286) 8.473 3.174 ( 2.459 0.000 5.522) 6.045 3.233 ( -0.749 0.000 0.509) 0.905 3.344 ( 4.496 0.000 4.486) 6.351 3.536 ( 5.862 0.000 0.236) 5.867 3.864 ( 7.690 0.000 2.222) 8.005 4.111 ( 2.946 0.000 2.597) 3.927 4.178 ( -1.768 0.000 3.808) 4.198 4.195 ( 6.666 0.000 -3.032) 7.323 4.319 ( -1.149 0.000 -0.660) 1.325 4.481 ( -1.768 0.000 -3.000) 3.482 4.623 ( 3.568 0.000 0.533) 3.608 4.689 ( -1.550 0.000 -3.174) 3.532 4.763 ( 1.970 0.000 4.351) 4.776 4.889 ( -9.064 0.000 -0.218) 9.067 5.098 ( 0.523 0.000 0.820) 0.972 5.218 ( -8.113 0.000 -3.547) 8.855 5.235 ( -4.270 0.000 -4.199) 5.989 5.436 ( -10.972 0.000 -7.257) 13.155 5.511 ( -15.141 0.000 3.358) 15.509 5.549 ( -8.039 0.000 -2.019) 8.288 5.857 ( -6.571 0.000 3.529) 7.459 6.106 ( -10.173 0.000 2.199) 10.408 6.141 ( -0.962 0.000 -4.087) 4.199 6.331 ( -4.118 0.000 -4.933) 6.426 6.382 ( 2.270 0.000 -2.367) 3.280 6.535 ( 0.158 0.000 0.310) 0.349 6.660 ( -0.293 0.000 -1.423) 1.453 6.771 ( 0.206 0.000 -0.626) 0.659 6.902 ( -3.114 0.000 -2.952) 4.291 6.994 ( -2.937 0.000 -4.133) 5.071 7.142 ( 0.925 0.000 -3.150) 3.283 7.278 ( -0.181 0.000 4.912) 4.915 7.524 ( 3.077 0.000 -0.177) 3.082 7.560 ( 5.310 0.000 5.317) 7.514 7.723 ( 2.083 0.000 3.231) 3.844 7.751 ( 10.305 0.000 -3.016) 10.737 7.839 ( 0.948 0.000 3.849) 3.964 8.373 ( 0.007 0.000 1.077) 1.077 8.542 ( -10.086 0.000 -10.556) 14.600 8.627 ( 5.529 0.000 -0.736) 5.577 8.732 ( 3.955 0.000 0.266) 3.964 8.838 ( -0.646 0.000 -3.856) 3.910 9.215 ( 1.270 0.000 1.730) 2.146 9.248 ( 4.199 0.000 5.294) 6.758 9.446 ( 3.428 0.000 -5.479) 6.463 9.653 ( 4.931 0.000 0.003) 4.931 9.676 ( 3.197 0.000 5.031) 5.960 9.720 ( -0.619 0.000 3.083) 3.145 9.762 ( -5.071 0.000 1.846) 5.397 9.863 ( -2.895 0.000 -0.585) 2.954 10.162 ( -10.420 0.000 -1.739) 10.564 10.304 ( -7.920 0.000 -2.932) 8.446 11.096 ( -1.690 0.000 0.874) 1.902 11.310 ( 0.645 0.000 1.643) 1.765 11.406 ( 3.487 0.000 -2.180) 4.113 11.541 ( -6.067 0.000 -0.719) 6.110 12.300 ( 4.094 0.000 1.719) 4.440 12.337 ( 6.948 0.000 -4.618) 8.343 12.398 ( 2.485 0.000 -1.089) 2.713 12.599 ( 0.532 0.000 2.347) 2.407 12.758 ( -4.701 0.000 -10.420) 11.431 12.803 ( -1.061 0.000 -2.306) 2.538 13.336 ( -4.138 0.000 2.750) 4.968 13.527 ( -11.261 0.000 -5.254) 12.427 13.727 ( -2.677 0.000 0.132) 2.680 13.880 ( -0.136 0.000 -10.081) 10.082 13.960 ( -2.763 0.000 -2.079) 3.458 14.179 ( -1.885 0.000 0.089) 1.887 14.315 ( -10.472 0.000 -3.064) 10.911 14.557 ( -2.476 0.000 4.374) 5.026 14.878 ( 0.127 0.000 12.881) 12.882 15.720 ( 18.587 0.000 5.995) 19.530 15.747 ( -1.589 0.000 18.983) 19.049 15.789 ( 13.659 0.000 -15.278) 20.493 16.369 ( -1.213 0.000 4.085) 4.262 16.538 ( 3.611 0.000 -0.088) 3.612 16.769 ( 6.890 0.000 -1.263) 7.004 17.201 ( 6.458 0.000 5.813) 8.689 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.315 0.000 16.505) 16.508 1.119 ( 1.633 0.000 24.251) 24.306 1.492 ( 17.209 0.000 2.175) 17.346 1.716 ( -3.562 0.000 -12.657) 13.149 1.827 ( 10.043 0.000 2.262) 10.295 1.896 ( -2.878 0.000 -1.750) 3.368 1.956 ( -6.676 0.000 10.655) 12.574 2.089 ( -2.859 0.000 1.852) 3.406 2.178 ( 7.408 0.000 13.807) 15.669 2.284 ( 4.794 0.000 2.435) 5.377 2.343 ( 1.902 0.000 -4.950) 5.303 2.350 ( -6.913 0.000 0.939) 6.977 2.417 ( -3.088 0.000 -1.569) 3.463 2.695 ( 6.463 0.000 -1.120) 6.560 2.939 ( 9.670 0.000 -6.585) 11.699 2.998 ( 2.223 0.000 2.380) 3.257 3.103 ( 4.550 0.000 6.084) 7.597 3.161 ( -4.982 0.000 -1.741) 5.277 3.228 ( -1.710 0.000 3.519) 3.912 3.257 ( 4.244 0.000 0.400) 4.262 3.456 ( 5.976 0.000 1.260) 6.107 3.668 ( 9.600 0.000 2.449) 9.908 4.006 ( 4.838 0.000 4.349) 6.505 4.021 ( -15.629 0.000 -3.038) 15.921 4.161 ( -1.993 0.000 1.197) 2.325 4.261 ( 1.121 0.000 -5.025) 5.148 4.320 ( 7.584 0.000 -5.568) 9.409 4.413 ( -2.320 0.000 -2.200) 3.197 4.615 ( -4.407 0.000 0.442) 4.429 4.695 ( 3.842 0.000 -0.762) 3.917 4.823 ( -2.252 0.000 2.720) 3.531 4.826 ( -3.272 0.000 4.419) 5.499 5.075 ( -7.859 0.000 -0.037) 7.860 5.088 ( -0.044 0.000 -4.145) 4.146 5.136 ( -3.721 0.000 0.043) 3.721 5.147 ( -9.129 0.000 -1.752) 9.296 5.378 ( -6.121 0.000 3.050) 6.839 5.460 ( -2.690 0.000 -2.231) 3.495 5.812 ( -4.777 0.000 4.288) 6.419 6.049 ( -2.642 0.000 3.688) 4.537 6.054 ( -2.155 0.000 -6.654) 6.994 6.231 ( -1.303 0.000 -4.914) 5.084 6.396 ( 1.647 0.000 -0.914) 1.884 6.504 ( -1.052 0.000 -3.005) 3.184 6.674 ( -0.062 0.000 3.109) 3.109 6.758 ( -0.601 0.000 -0.893) 1.076 6.823 ( -1.119 0.000 -4.523) 4.659 6.892 ( -2.171 0.000 -5.360) 5.783 7.146 ( 2.653 0.000 -0.912) 2.806 7.295 ( -3.313 0.000 1.842) 3.791 7.542 ( -0.176 0.000 1.358) 1.369 7.681 ( 3.738 0.000 2.344) 4.412 7.796 ( 2.832 0.000 2.619) 3.858 7.829 ( 4.448 0.000 -3.255) 5.512 7.911 ( 1.650 0.000 4.762) 5.039 8.202 ( -9.991 0.000 -5.767) 11.536 8.425 ( -0.925 0.000 -0.905) 1.294 8.603 ( -3.820 0.000 -6.194) 7.277 8.845 ( 5.678 0.000 3.855) 6.863 8.896 ( 8.827 0.000 2.471) 9.166 9.289 ( 3.797 0.000 2.820) 4.729 9.362 ( 0.552 0.000 6.665) 6.688 9.406 ( -1.625 0.000 -1.005) 1.911 9.683 ( 4.628 0.000 -1.823) 4.974 9.713 ( -2.523 0.000 1.691) 3.038 9.731 ( 0.013 0.000 -5.887) 5.887 9.775 ( 2.874 0.000 0.837) 2.993 9.813 ( -1.718 0.000 -1.496) 2.278 9.989 ( -9.651 0.000 -0.273) 9.655 10.126 ( -9.135 0.000 -4.687) 10.267 11.107 ( 0.908 0.000 1.753) 1.974 11.299 ( -5.578 0.000 -1.287) 5.725 11.390 ( -6.135 0.000 0.639) 6.168 11.422 ( 2.039 0.000 -2.241) 3.030 12.354 ( 1.118 0.000 0.322) 1.163 12.370 ( 3.448 0.000 -2.798) 4.441 12.454 ( 5.461 0.000 -1.446) 5.649 12.582 ( -2.623 0.000 -3.416) 4.307 12.645 ( 0.936 0.000 0.271) 0.974 12.752 ( -1.554 0.000 -2.502) 2.945 13.374 ( 1.335 0.000 6.942) 7.069 13.483 ( -2.108 0.000 8.265) 8.530 13.730 ( 0.855 0.000 3.164) 3.277 13.784 ( 1.584 0.000 -7.828) 7.987 13.887 ( -3.680 0.000 -3.744) 5.249 14.120 ( -8.038 0.000 -5.060) 9.498 14.184 ( 2.834 0.000 1.107) 3.042 14.526 ( -5.405 0.000 -0.634) 5.442 15.046 ( -1.220 0.000 17.179) 17.222 15.756 ( 8.323 0.000 -18.473) 20.261 15.909 ( -3.717 0.000 15.259) 15.705 16.006 ( 13.357 0.000 -0.581) 13.369 16.409 ( -0.706 0.000 5.299) 5.346 16.575 ( 2.853 0.000 -2.346) 3.693 16.893 ( 7.699 0.000 2.737) 8.171 17.287 ( 1.895 0.000 -3.520) 3.998 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 2.933 1.079 16.541) 16.833 1.364 ( -9.018 2.696 18.918) 21.130 1.413 ( -3.930 -3.486 -14.030) 14.981 1.661 ( 6.816 -1.249 -9.148) 11.476 1.859 ( 0.876 -0.124 3.968) 4.065 1.916 ( 4.976 0.309 -3.618) 6.160 1.995 ( 3.576 -3.933 1.175) 5.444 2.052 ( -3.683 -6.518 0.301) 7.492 2.270 ( 5.891 -0.333 0.052) 5.901 2.292 ( -6.200 6.765 -1.326) 9.272 2.332 ( 0.692 -0.889 4.520) 4.659 2.418 ( 0.468 3.059 -1.708) 3.534 2.545 ( 1.151 4.536 15.086) 15.795 2.788 ( 2.897 3.913 -5.617) 7.433 2.976 ( 0.104 0.381 -2.152) 2.188 3.033 ( 1.502 1.119 -6.393) 6.662 3.126 ( -3.315 -1.888 4.321) 5.764 3.148 ( 2.237 -3.520 3.321) 5.332 3.271 ( 0.278 1.275 3.409) 3.650 3.305 ( -1.124 0.371 -0.172) 1.196 3.633 ( 14.714 2.003 1.527) 14.928 3.700 ( -14.978 0.684 -5.453) 15.954 3.841 ( 10.107 -2.837 3.730) 11.141 3.966 ( -14.617 -4.098 -8.064) 17.189 4.125 ( 2.037 1.463 3.525) 4.327 4.157 ( -2.297 1.798 0.402) 2.944 4.336 ( -7.031 0.442 1.021) 7.119 4.400 ( 6.231 -0.942 -5.061) 8.083 4.605 ( -1.570 0.473 5.160) 5.414 4.698 ( 1.859 -0.097 -3.339) 3.822 4.791 ( -0.541 -3.303 2.677) 4.286 4.826 ( 2.791 -1.544 0.046) 3.190 4.981 ( -3.429 0.075 2.387) 4.179 5.033 ( 1.583 -0.919 -1.769) 2.545 5.116 ( -1.299 1.540 2.514) 3.221 5.185 ( 1.189 2.055 -3.557) 4.277 5.368 ( -0.070 -0.177 1.587) 1.598 5.410 ( 3.433 -0.877 -2.620) 4.407 5.827 ( -0.063 0.012 4.516) 4.517 5.924 ( 0.195 -2.358 -4.929) 5.467 6.075 ( 1.580 -0.824 1.767) 2.510 6.137 ( -1.848 -1.923 -4.623) 5.337 6.414 ( -0.948 1.027 0.950) 1.690 6.448 ( -0.096 -0.162 -2.062) 2.070 6.723 ( 0.118 0.310 3.870) 3.884 6.752 ( -3.043 0.542 1.303) 3.354 6.788 ( 1.140 0.794 -2.934) 3.246 6.837 ( 2.150 2.131 -5.067) 5.902 7.210 ( 2.735 0.879 1.105) 3.078 7.245 ( -3.602 1.126 -2.121) 4.329 7.597 ( -0.900 2.325 4.505) 5.149 7.692 ( 0.876 0.434 -4.174) 4.287 7.831 ( 0.990 -1.349 2.600) 3.092 7.859 ( -0.014 0.154 0.261) 0.304 7.957 ( 1.629 -2.781 3.467) 4.734 8.020 ( -4.133 -3.602 -3.144) 6.320 8.444 ( 1.656 1.828 0.356) 2.492 8.484 ( -2.824 0.974 -3.641) 4.709 8.880 ( 1.364 -5.361 2.909) 6.250 8.923 ( 1.837 -6.184 -1.210) 6.563 9.386 ( -1.857 1.175 5.922) 6.316 9.406 ( -2.573 0.224 3.856) 4.641 9.496 ( 6.079 3.633 4.358) 8.315 9.611 ( -4.644 2.294 -4.842) 7.091 9.704 ( -2.982 0.530 -0.771) 3.125 9.728 ( 1.692 1.017 -2.800) 3.426 9.793 ( 1.859 -1.601 1.382) 2.816 9.850 ( 1.511 0.123 -2.444) 2.876 9.904 ( -1.660 1.866 1.192) 2.767 9.958 ( -1.376 0.422 -4.976) 5.180 11.161 ( 3.145 -0.032 1.493) 3.482 11.179 ( -3.467 -0.417 -0.373) 3.511 11.375 ( -1.226 0.100 1.656) 2.063 11.413 ( 1.047 -0.646 -2.048) 2.390 12.338 ( -1.482 -0.624 1.193) 2.002 12.371 ( 1.177 -0.613 -2.193) 2.563 12.477 ( 2.550 -2.458 0.100) 3.543 12.502 ( -1.720 -2.067 -2.195) 3.472 12.671 ( 0.417 0.165 1.533) 1.598 12.712 ( -0.861 0.070 -2.429) 2.578 13.530 ( 5.076 1.260 6.182) 8.097 13.550 ( -1.037 0.833 4.602) 4.791 13.763 ( 1.348 1.620 -3.096) 3.746 13.785 ( -2.178 2.716 -4.507) 5.695 13.904 ( 4.258 5.143 4.688) 8.159 14.032 ( -5.031 5.154 -7.358) 10.296 14.325 ( 4.687 2.995 4.920) 7.426 14.422 ( -5.729 4.812 -4.570) 8.767 15.076 ( -2.456 -12.888 17.133) 21.579 15.387 ( 0.802 -17.022 -12.641) 21.217 16.102 ( -2.981 6.546 2.877) 7.747 16.164 ( 4.716 2.581 -2.729) 6.029 16.523 ( -0.618 5.553 5.664) 7.956 16.623 ( 0.873 5.060 -4.066) 6.550 17.005 ( 5.959 -4.480 5.490) 9.258 17.120 ( -5.331 -5.852 -5.683) 9.745 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -5.149 -1.881 -9.470) 10.943 1.336 ( -7.590 4.733 9.001) 12.690 1.418 ( 1.621 1.820 14.506) 14.709 1.578 ( -2.061 0.987 -12.482) 12.690 1.883 ( 0.348 2.283 -2.027) 3.073 1.931 ( 2.422 -1.972 -7.523) 8.145 1.959 ( -2.717 -4.851 -2.236) 5.993 2.069 ( 0.514 -5.588 3.029) 6.377 2.176 ( -3.028 -3.959 -0.843) 5.055 2.328 ( -4.105 1.444 3.008) 5.290 2.347 ( -0.247 -1.726 -6.258) 6.497 2.405 ( 1.574 2.779 1.716) 3.625 2.676 ( -0.513 3.465 -0.750) 3.582 2.745 ( 3.698 8.689 -5.228) 10.793 2.920 ( -3.704 2.686 -2.687) 5.306 2.980 ( -1.990 1.009 2.562) 3.397 3.113 ( -3.330 -5.019 0.056) 6.023 3.187 ( 0.617 -0.379 -0.887) 1.145 3.272 ( -1.480 1.186 0.493) 1.959 3.289 ( -2.668 1.278 0.765) 3.055 3.438 ( -10.808 -0.953 -1.309) 10.928 3.688 ( -11.088 -3.071 -3.593) 12.054 3.931 ( 13.613 0.182 4.344) 14.291 3.964 ( -6.609 -1.367 5.607) 8.774 4.165 ( 3.734 0.278 1.861) 4.181 4.206 ( 6.840 0.761 1.030) 6.959 4.243 ( -4.636 0.280 0.981) 4.747 4.386 ( -2.036 -1.151 -0.190) 2.347 4.639 ( -2.431 0.560 2.623) 3.620 4.694 ( 2.497 1.665 -3.034) 4.268 4.838 ( 2.782 -3.490 0.307) 4.473 4.879 ( 4.156 -1.369 -3.568) 5.646 4.994 ( 3.290 0.767 2.943) 4.481 5.071 ( 3.488 -1.401 -0.211) 3.764 5.119 ( 3.315 0.433 -0.040) 3.344 5.231 ( 7.042 3.071 -0.620) 7.707 5.383 ( 1.411 -1.885 -0.351) 2.381 5.466 ( 8.542 0.104 -3.412) 9.198 5.888 ( 3.113 -1.275 -2.748) 4.344 5.921 ( 4.659 -0.741 2.874) 5.524 6.088 ( 1.398 -1.598 -2.517) 3.293 6.156 ( 4.197 -1.590 2.684) 5.230 6.398 ( -3.264 0.335 0.426) 3.309 6.426 ( -0.448 0.271 1.734) 1.811 6.721 ( -2.258 -0.222 -0.082) 2.270 6.759 ( 0.441 -1.396 1.710) 2.251 6.794 ( 1.158 3.499 1.209) 3.879 6.851 ( 5.300 2.566 -2.851) 6.543 7.163 ( -3.728 1.735 -0.514) 4.144 7.282 ( 2.892 -0.544 2.117) 3.625 7.618 ( -2.708 -0.033 1.835) 3.272 7.655 ( 0.323 2.528 -1.971) 3.222 7.810 ( -4.239 -2.192 -2.851) 5.558 7.838 ( -2.142 0.978 0.520) 2.412 7.957 ( -1.262 -2.188 -1.412) 2.894 8.052 ( 4.164 -3.776 5.499) 7.864 8.441 ( 0.447 1.560 -0.671) 1.756 8.516 ( 4.759 1.188 2.709) 5.603 8.832 ( -7.055 -5.825 -1.723) 9.310 8.887 ( -3.658 -4.825 -3.044) 6.777 9.362 ( -6.597 1.259 0.594) 6.742 9.391 ( -3.893 -0.114 0.650) 3.948 9.457 ( -5.521 3.629 -1.574) 6.792 9.614 ( -6.678 -0.771 1.989) 7.011 9.679 ( 5.474 3.544 4.851) 8.127 9.730 ( 2.561 0.506 -0.479) 2.654 9.803 ( 4.073 -0.158 -2.877) 4.989 9.845 ( 1.013 1.201 -0.828) 1.776 10.002 ( 8.910 0.198 -0.389) 8.920 10.032 ( 9.017 0.031 3.418) 9.643 11.148 ( 0.124 0.973 -1.169) 1.526 11.251 ( 5.889 -1.371 1.386) 6.203 11.373 ( -2.039 -0.161 1.953) 2.828 11.410 ( 2.004 -0.805 -1.470) 2.613 12.301 ( -4.920 -0.629 1.562) 5.201 12.357 ( -1.299 -0.831 -0.968) 1.820 12.444 ( -2.143 -1.723 -1.803) 3.288 12.507 ( 0.604 -1.853 1.193) 2.285 12.674 ( -0.701 0.188 -1.270) 1.463 12.711 ( 1.207 -0.144 2.061) 2.393 13.519 ( -2.585 0.717 -5.657) 6.260 13.594 ( -0.198 -1.266 -2.282) 2.617 13.693 ( -1.073 2.691 1.733) 3.376 13.835 ( 2.046 0.857 -1.815) 2.866 13.901 ( 0.514 7.235 -1.382) 7.383 14.082 ( 8.881 5.061 6.223) 11.967 14.289 ( -3.452 6.957 -3.015) 8.331 14.485 ( 6.665 1.729 4.470) 8.210 15.207 ( -3.426 -14.389 -0.504) 14.800 15.234 ( -2.312 -14.032 2.017) 14.363 16.037 ( -9.401 6.657 1.957) 11.684 16.157 ( 0.294 1.972 -4.647) 5.057 16.534 ( -2.728 3.277 0.031) 4.264 16.608 ( 1.345 6.559 -0.694) 6.731 16.937 ( -8.612 -4.397 -5.835) 11.294 17.133 ( 2.130 -5.369 4.724) 7.461 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -2.497 4.916 -9.241) 10.761 1.270 ( -6.506 5.331 3.187) 8.994 1.300 ( -6.979 5.407 -19.436) 21.346 1.665 ( 4.132 -0.691 12.202) 12.901 1.763 ( -4.592 -3.058 -10.682) 12.022 1.831 ( -6.396 5.277 2.564) 8.679 1.966 ( 3.352 -8.737 -3.233) 9.900 2.088 ( -2.619 -8.744 1.292) 9.219 2.118 ( 0.209 -6.225 -5.528) 8.327 2.222 ( -4.567 -0.679 -6.995) 8.382 2.324 ( -0.068 -0.126 4.318) 4.320 2.430 ( -0.209 1.403 0.240) 1.439 2.642 ( 1.077 5.403 -4.127) 6.884 2.698 ( -0.914 9.662 -4.574) 10.728 2.838 ( -3.221 1.845 -1.399) 3.967 3.005 ( -1.208 2.125 0.963) 2.627 3.029 ( -4.012 -3.785 -3.191) 6.372 3.161 ( -4.642 0.619 -0.656) 4.729 3.209 ( -3.678 1.909 -0.376) 4.161 3.257 ( -0.874 -0.292 -1.411) 1.685 3.342 ( -3.733 -3.137 1.348) 5.059 3.519 ( -8.424 -2.616 -0.989) 8.877 3.857 ( -10.633 1.145 4.008) 11.421 4.060 ( -3.765 -3.181 3.526) 6.060 4.148 ( -3.907 0.895 1.489) 4.276 4.258 ( -0.943 0.495 0.381) 1.131 4.331 ( 4.922 0.348 -1.525) 5.164 4.409 ( 6.146 -1.618 0.200) 6.358 4.615 ( -1.591 1.034 1.458) 2.393 4.684 ( -0.504 2.746 -0.146) 2.796 4.843 ( -0.055 -2.208 -3.457) 4.103 4.919 ( 6.761 0.631 -1.660) 6.991 5.060 ( 1.484 -1.587 0.945) 2.369 5.152 ( 5.100 -1.409 2.538) 5.868 5.222 ( 6.102 1.882 1.169) 6.492 5.357 ( 8.370 1.744 -0.691) 8.578 5.464 ( 8.938 -2.278 3.549) 9.883 5.604 ( 14.693 -0.305 -3.990) 15.229 5.924 ( 6.295 -0.388 -3.281) 7.109 6.060 ( 8.253 -0.878 3.132) 8.871 6.113 ( 4.368 -1.542 -1.101) 4.761 6.244 ( 2.794 -0.818 2.476) 3.822 6.360 ( -1.578 1.591 1.904) 2.941 6.475 ( 1.935 -1.585 3.352) 4.183 6.679 ( -1.655 0.204 -1.850) 2.491 6.803 ( 2.299 -2.701 1.599) 3.890 6.816 ( -0.341 4.284 1.492) 4.550 6.925 ( 5.127 1.465 1.329) 5.495 7.125 ( -1.749 1.710 1.043) 2.659 7.330 ( 0.907 -2.016 0.023) 2.211 7.564 ( -2.856 -0.204 -2.700) 3.935 7.628 ( -5.628 0.962 1.694) 5.956 7.702 ( -4.067 -0.279 -3.444) 5.336 7.796 ( -1.834 2.461 -1.075) 3.252 7.911 ( -2.587 -0.241 -1.915) 3.227 8.229 ( 7.100 -5.781 9.620) 13.280 8.451 ( -0.848 1.879 0.148) 2.067 8.582 ( -3.064 -0.391 -0.306) 3.104 8.735 ( -0.486 -4.283 2.847) 5.165 8.754 ( -4.975 -3.015 -4.935) 7.629 9.254 ( -5.430 1.203 -0.801) 5.619 9.308 ( -7.405 -0.881 -0.704) 7.491 9.373 ( -4.973 2.313 2.062) 5.859 9.569 ( -4.237 -2.472 2.719) 5.609 9.751 ( 2.836 2.254 -2.068) 4.172 9.802 ( 2.643 3.268 2.308) 4.795 9.839 ( 5.777 0.554 -3.984) 7.039 9.885 ( 4.925 1.094 -1.043) 5.152 10.149 ( 9.936 0.607 0.604) 9.973 10.217 ( 7.488 -0.709 4.988) 9.025 11.145 ( 1.838 1.961 -2.013) 3.358 11.315 ( 0.361 -1.485 -0.034) 1.528 11.356 ( -3.067 -0.177 1.952) 3.640 11.484 ( 8.137 -3.173 0.123) 8.735 12.234 ( -6.318 -0.965 2.269) 6.782 12.305 ( -4.258 -1.673 -0.214) 4.580 12.406 ( -0.566 0.270 -1.014) 1.192 12.545 ( 1.502 -2.790 3.163) 4.477 12.651 ( -0.717 1.347 0.186) 1.537 12.763 ( 0.823 0.178 3.990) 4.078 13.420 ( 0.289 0.170 -5.437) 5.447 13.533 ( 0.077 -2.761 -5.014) 5.725 13.723 ( 0.151 1.595 4.006) 4.314 13.806 ( 1.114 1.707 -0.494) 2.097 13.972 ( 2.050 7.479 2.241) 8.073 14.258 ( 3.279 6.960 -1.090) 7.771 14.316 ( 11.424 5.625 5.527) 13.881 14.604 ( 4.041 0.986 0.296) 4.170 15.027 ( -1.893 -11.169 -12.642) 16.975 15.306 ( -7.479 -13.155 13.282) 20.135 15.852 ( -15.624 6.910 -0.653) 17.097 16.068 ( -2.824 1.322 -7.206) 7.852 16.480 ( -1.278 1.579 -2.977) 3.604 16.610 ( -0.820 7.221 -0.808) 7.312 16.749 ( -7.950 -3.630 -3.156) 9.292 17.168 ( -1.836 -6.253 0.679) 6.552 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.689 8.374 -9.449) 12.644 1.040 ( 3.552 5.104 -13.553) 14.912 1.233 ( -0.484 1.186 -3.564) 3.787 1.486 ( -2.022 0.196 -14.069) 14.215 1.733 ( -9.510 -4.427 3.355) 11.013 1.914 ( -5.239 3.132 -6.866) 9.187 1.928 ( 0.686 2.221 9.277) 9.563 2.031 ( 2.640 -8.838 -2.719) 9.616 2.044 ( -0.373 -5.741 -3.464) 6.716 2.161 ( -2.168 -2.961 3.220) 4.882 2.334 ( -1.456 2.699 -0.622) 3.129 2.465 ( 1.964 -1.862 4.381) 5.150 2.595 ( -4.609 5.893 1.385) 7.609 2.658 ( 0.563 6.232 -2.696) 6.814 2.779 ( -1.330 -1.504 -2.724) 3.384 2.922 ( -0.893 -2.910 -7.551) 8.142 2.965 ( -3.531 2.062 -0.690) 4.147 3.034 ( -7.353 2.875 -2.069) 8.161 3.154 ( -1.338 -1.458 -5.579) 5.920 3.230 ( -2.186 -1.000 0.326) 2.426 3.303 ( -1.623 -2.163 -1.710) 3.199 3.389 ( -8.410 -2.548 0.731) 8.818 3.753 ( -7.442 2.263 1.908) 8.009 3.968 ( -9.022 -4.722 0.654) 10.204 4.117 ( -3.276 1.311 -0.027) 3.529 4.196 ( -5.134 -0.186 -0.611) 5.173 4.371 ( 1.267 1.282 -2.113) 2.777 4.440 ( -0.285 4.015 3.693) 5.462 4.648 ( 4.674 -2.965 -3.932) 6.789 4.709 ( 1.887 1.335 2.264) 3.236 4.784 ( 0.588 -0.863 -4.713) 4.827 5.028 ( 3.362 -2.027 0.241) 3.933 5.093 ( 5.421 1.431 1.209) 5.735 5.270 ( 4.460 -1.338 4.398) 6.405 5.314 ( 4.036 3.628 2.704) 6.063 5.463 ( 3.578 -1.472 2.938) 4.859 5.662 ( 7.965 0.421 4.451) 9.134 5.784 ( 13.714 -2.256 -4.589) 14.636 5.991 ( 7.138 1.705 -3.364) 8.073 6.170 ( 3.759 0.760 1.722) 4.204 6.265 ( 10.821 -4.811 0.778) 11.867 6.286 ( 3.282 0.464 1.837) 3.789 6.425 ( 4.195 1.090 2.751) 5.134 6.546 ( 2.628 -0.865 3.097) 4.153 6.627 ( -1.390 0.795 -2.665) 3.109 6.800 ( -1.663 3.056 0.234) 3.487 6.885 ( 3.163 -2.172 3.471) 5.173 7.026 ( 3.600 0.757 3.464) 5.053 7.121 ( -0.224 0.110 0.710) 0.752 7.310 ( 0.648 -2.806 -4.115) 5.022 7.456 ( -7.372 -0.528 -3.570) 8.207 7.509 ( -11.095 -2.126 1.369) 11.380 7.601 ( -2.970 4.158 -5.209) 7.297 7.780 ( 1.428 3.287 -1.904) 4.059 7.841 ( -3.380 1.448 -1.290) 3.896 8.343 ( -9.345 0.545 -3.390) 9.955 8.453 ( 3.199 -8.677 10.465) 13.966 8.521 ( -1.303 -3.683 2.120) 4.445 8.691 ( 1.873 1.453 0.682) 2.467 8.835 ( 3.215 -0.435 4.199) 5.307 9.180 ( -3.794 -0.850 -0.644) 3.941 9.196 ( -5.521 -0.550 0.125) 5.550 9.333 ( -4.131 1.237 2.926) 5.211 9.504 ( -5.430 -2.881 -1.435) 6.312 9.761 ( 2.590 2.755 -2.928) 4.782 9.815 ( -1.374 5.910 -0.356) 6.078 9.894 ( 6.806 -0.832 -4.343) 8.117 9.947 ( 5.121 0.509 -2.176) 5.587 10.308 ( 8.702 0.586 1.495) 8.849 10.367 ( 4.987 -0.955 4.184) 6.580 11.161 ( 3.127 2.144 -1.554) 4.097 11.298 ( -1.652 -0.904 -0.138) 1.888 11.325 ( -3.590 0.133 1.461) 3.878 11.565 ( 3.358 -4.824 -3.621) 6.904 12.171 ( -5.536 -0.633 2.911) 6.287 12.234 ( -4.421 -1.307 0.104) 4.612 12.402 ( 0.767 1.214 0.048) 1.437 12.573 ( -0.057 -2.925 -1.620) 3.344 12.713 ( 1.555 0.384 7.967) 8.127 12.821 ( -0.308 0.561 4.481) 4.526 13.427 ( 5.113 0.920 -0.059) 5.195 13.579 ( 7.831 -3.484 5.116) 9.982 13.788 ( 2.343 1.452 3.814) 4.706 13.860 ( 2.060 1.499 5.259) 5.844 14.014 ( 0.929 5.621 1.767) 5.965 14.305 ( 3.635 6.166 -1.124) 7.246 14.559 ( 9.261 6.164 0.429) 11.133 14.613 ( 5.576 -2.768 -2.891) 6.863 14.881 ( -1.593 -3.976 -8.249) 9.295 15.299 ( -10.946 -11.957 9.452) 18.765 15.559 ( -18.087 6.690 -3.825) 19.660 15.908 ( -3.759 -0.591 -11.099) 11.733 16.433 ( -0.293 0.923 -2.967) 3.122 16.548 ( -2.823 3.066 -3.924) 5.724 16.650 ( -4.368 0.903 2.096) 4.928 17.100 ( -3.546 -5.982 -4.522) 8.295 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 7.771 4.538 -7.137) 11.486 1.087 ( 10.585 3.043 -4.237) 11.801 1.148 ( 4.582 -6.123 -6.972) 10.348 1.471 ( 7.598 3.016 -6.123) 10.214 1.562 ( -10.491 -1.734 -0.561) 10.648 1.713 ( -9.388 8.647 -2.928) 13.095 1.864 ( -8.175 -1.801 -1.508) 8.506 2.030 ( 1.005 -3.041 -3.098) 4.456 2.128 ( 1.279 -4.171 -1.128) 4.506 2.148 ( -1.815 -4.583 2.489) 5.522 2.383 ( 3.888 2.860 7.993) 9.337 2.513 ( -2.904 2.169 2.813) 4.588 2.582 ( -0.682 2.217 4.166) 4.768 2.619 ( -2.958 1.228 0.370) 3.224 2.751 ( -0.577 -2.472 0.111) 2.541 2.830 ( 1.364 -1.255 -8.348) 8.551 2.911 ( 0.072 -0.228 -2.814) 2.824 2.920 ( -3.528 1.680 -2.207) 4.487 3.055 ( -2.259 0.512 -6.071) 6.498 3.166 ( -2.970 -2.115 -4.472) 5.770 3.258 ( -2.384 -1.794 -0.488) 3.023 3.291 ( -3.785 -1.022 -0.277) 3.930 3.673 ( -4.096 2.663 -0.055) 4.886 3.819 ( -8.533 -2.681 -2.608) 9.316 4.046 ( -5.385 0.862 1.097) 5.562 4.120 ( -2.496 -1.392 -1.693) 3.322 4.331 ( -3.132 0.911 1.439) 3.565 4.544 ( 5.130 3.685 2.460) 6.778 4.609 ( -0.542 -3.639 -5.258) 6.417 4.768 ( 2.503 -0.888 3.465) 4.366 4.803 ( 5.438 2.005 -3.359) 6.699 5.008 ( -1.867 -2.830 -2.046) 3.961 5.245 ( 7.241 1.787 3.914) 8.423 5.366 ( -0.081 -1.093 5.145) 5.261 5.416 ( 4.421 2.725 3.105) 6.051 5.529 ( 1.016 0.445 1.935) 2.231 5.798 ( 3.719 0.970 3.829) 5.425 5.903 ( 7.862 -1.830 -2.861) 8.564 6.049 ( 4.941 1.539 -2.641) 5.811 6.248 ( 2.803 -1.810 0.947) 3.468 6.312 ( 0.829 -0.481 2.994) 3.144 6.426 ( 1.837 -2.143 -3.503) 4.499 6.515 ( 8.366 0.685 1.348) 8.502 6.606 ( 2.207 0.858 -0.632) 2.450 6.644 ( 5.825 -0.474 1.762) 6.104 6.772 ( -3.062 2.596 1.359) 4.238 6.975 ( 2.545 -0.204 3.963) 4.714 7.058 ( -1.567 2.415 -0.092) 2.880 7.165 ( 2.808 -3.841 2.152) 5.222 7.250 ( -10.886 -1.079 -2.916) 11.321 7.294 ( 3.252 -1.321 -5.856) 6.828 7.349 ( -10.739 -2.788 1.035) 11.143 7.504 ( -0.283 3.827 -5.309) 6.550 7.718 ( -5.169 -0.971 -3.450) 6.290 7.844 ( 4.744 5.736 -0.376) 7.453 8.137 ( -11.918 1.407 -1.982) 12.163 8.541 ( 2.481 -3.103 5.205) 6.548 8.631 ( 4.387 -8.288 4.391) 10.354 8.752 ( -0.661 1.030 3.493) 3.701 8.882 ( -0.677 -0.069 -0.342) 0.761 9.139 ( -3.248 -0.871 2.675) 4.297 9.143 ( -1.367 -0.483 1.711) 2.243 9.322 ( -1.620 -0.267 2.380) 2.892 9.389 ( -3.940 -1.470 -4.468) 6.135 9.762 ( 1.312 3.199 -2.169) 4.082 9.782 ( -1.346 6.152 -0.939) 6.367 9.933 ( 3.598 -1.028 -2.633) 4.575 9.983 ( 3.707 -0.282 -3.375) 5.021 10.438 ( 5.850 0.060 1.203) 5.973 10.465 ( 2.114 -0.880 2.990) 3.766 11.208 ( 4.069 1.178 -0.128) 4.238 11.275 ( -2.494 -0.133 2.045) 3.228 11.285 ( -2.029 0.422 -0.242) 2.086 11.514 ( -1.335 -3.575 -6.235) 7.311 12.135 ( -3.696 -0.105 2.985) 4.753 12.182 ( -1.908 -0.827 -0.449) 2.128 12.427 ( 1.593 1.019 0.875) 2.083 12.540 ( -0.857 -1.377 -2.168) 2.707 12.802 ( 0.004 -0.355 4.699) 4.712 12.848 ( -1.213 0.309 2.354) 2.666 13.571 ( 8.742 3.145 5.518) 10.806 13.790 ( 3.841 -0.626 6.438) 7.523 13.895 ( 3.828 0.427 4.625) 6.019 14.027 ( 6.136 0.315 13.528) 14.858 14.040 ( -0.306 0.955 2.305) 2.513 14.350 ( 4.337 2.872 1.908) 5.541 14.505 ( -0.629 0.965 -6.722) 6.820 14.761 ( -3.810 1.526 -4.514) 6.100 14.839 ( 14.316 -1.665 -0.895) 14.441 15.198 ( -12.244 -6.201 5.934) 14.952 15.250 ( -14.664 3.533 -4.287) 15.681 15.703 ( -1.610 -2.433 -16.628) 16.882 16.404 ( 0.288 0.851 -1.730) 1.949 16.468 ( -2.317 1.326 -2.538) 3.684 16.638 ( -2.155 2.220 4.158) 5.183 16.973 ( -3.061 -4.581 -7.782) 9.535 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 5.363 3.983 2.870) 7.270 1.077 ( -1.727 0.016 -10.897) 11.033 1.263 ( -2.986 -4.267 -2.092) 5.613 1.269 ( -0.771 -5.977 -1.466) 6.202 1.636 ( -3.507 6.946 3.448) 8.511 1.658 ( 7.953 4.528 0.394) 9.160 1.757 ( 1.426 0.239 2.138) 2.581 1.894 ( -6.683 0.361 -9.302) 11.460 2.121 ( -1.416 -3.942 2.318) 4.787 2.165 ( 3.276 -3.185 -2.910) 5.417 2.486 ( -2.083 1.606 5.828) 6.394 2.559 ( 0.124 -1.757 0.613) 1.865 2.585 ( 1.527 2.017 5.222) 5.802 2.627 ( 0.315 0.490 0.083) 0.589 2.725 ( -4.084 -0.085 0.179) 4.089 2.795 ( 5.123 -0.508 -4.723) 6.986 2.878 ( -0.928 1.374 1.060) 1.968 2.930 ( 5.162 -1.920 -1.714) 5.768 2.963 ( -1.547 0.107 -2.480) 2.925 3.050 ( -3.276 -1.487 -6.506) 7.435 3.208 ( -5.658 0.075 3.808) 6.820 3.288 ( 5.772 -1.472 -4.376) 7.392 3.646 ( 1.144 2.467 0.607) 2.786 3.679 ( -3.859 1.131 -2.814) 4.909 4.009 ( -3.330 -0.746 4.261) 5.458 4.083 ( 0.586 -1.902 -1.922) 2.767 4.335 ( -1.192 -1.193 5.025) 5.300 4.497 ( 1.807 -5.121 -10.075) 11.445 4.667 ( -0.684 4.180 7.309) 8.448 4.810 ( 2.326 2.615 -6.379) 7.276 4.864 ( 3.542 -1.397 3.929) 5.471 4.943 ( -1.600 -1.652 -3.900) 4.527 5.370 ( -3.227 -0.058 4.357) 5.422 5.386 ( 1.383 0.219 3.554) 3.820 5.505 ( 3.304 1.647 1.023) 3.831 5.536 ( -0.338 1.928 -1.356) 2.381 5.863 ( -0.897 1.918 3.356) 3.968 5.934 ( 1.038 1.594 -3.999) 4.428 6.130 ( 5.563 -3.016 3.419) 7.193 6.208 ( -5.879 -3.319 -3.673) 7.685 6.348 ( -2.450 0.603 2.806) 3.773 6.401 ( 2.359 -0.270 -2.550) 3.485 6.604 ( 0.260 1.085 0.732) 1.335 6.633 ( 1.624 0.706 -1.868) 2.574 6.733 ( -2.738 -0.630 1.441) 3.157 6.755 ( 5.096 -0.536 -0.957) 5.213 7.021 ( -4.483 0.456 1.998) 4.929 7.044 ( 2.412 1.122 -1.234) 2.933 7.113 ( 0.240 3.560 4.024) 5.378 7.202 ( -8.753 -4.099 4.534) 10.676 7.213 ( -1.174 1.131 -3.397) 3.768 7.307 ( 8.003 -3.897 -6.631) 11.100 7.523 ( 5.334 -0.054 1.096) 5.446 7.579 ( -6.407 -1.055 -3.884) 7.566 7.935 ( -0.255 3.660 1.453) 3.946 7.969 ( -0.430 4.435 -1.940) 4.860 8.664 ( 5.154 -2.834 4.696) 7.527 8.712 ( -5.235 -3.186 -0.440) 6.144 8.739 ( 3.014 -2.539 3.144) 5.041 8.821 ( -2.221 -1.724 -4.103) 4.974 9.136 ( -1.634 -0.106 4.712) 4.988 9.190 ( 1.949 -1.366 1.144) 2.641 9.312 ( -0.593 -0.093 -1.517) 1.632 9.317 ( -1.662 -0.793 0.238) 1.857 9.745 ( -2.049 4.561 0.508) 5.026 9.764 ( 0.429 4.653 -1.068) 4.793 9.943 ( -0.148 -1.005 -0.262) 1.049 9.981 ( 1.633 -0.736 -3.771) 4.174 10.496 ( -1.577 -0.509 1.552) 2.270 10.508 ( 1.915 -0.486 0.267) 1.994 11.239 ( -2.358 0.058 1.373) 2.729 11.263 ( 1.730 0.408 -1.173) 2.129 11.310 ( 2.068 -0.181 3.961) 4.472 11.409 ( -2.285 -1.441 -5.930) 6.516 12.126 ( -1.745 0.216 2.656) 3.185 12.170 ( 1.976 -0.944 -1.600) 2.712 12.465 ( 1.550 0.267 1.286) 2.032 12.499 ( -1.131 -0.414 -2.137) 2.453 12.833 ( -1.273 0.291 2.644) 2.949 12.855 ( 0.703 0.073 0.253) 0.751 13.785 ( 8.429 4.697 5.849) 11.283 13.834 ( -3.644 3.262 0.362) 4.904 13.968 ( -0.036 2.300 2.301) 3.253 14.000 ( -2.615 1.979 0.538) 3.323 14.245 ( 4.576 -2.252 5.248) 7.318 14.389 ( -1.941 1.949 -9.053) 9.461 14.591 ( 8.502 -5.150 15.255) 18.208 14.692 ( -3.071 2.619 2.462) 4.727 14.866 ( -7.509 -6.186 1.569) 9.854 14.995 ( -13.415 -7.203 -3.834) 15.701 15.250 ( 11.326 5.408 3.315) 12.981 15.482 ( 2.972 -0.616 -20.865) 21.085 16.401 ( -0.196 0.967 0.200) 1.007 16.419 ( -0.341 1.368 -1.644) 2.166 16.685 ( -0.190 0.636 7.042) 7.073 16.841 ( -1.394 -2.625 -8.225) 8.746 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -9.972 1.269 -6.252) 11.838 1.001 ( -4.049 -0.814 2.174) 4.667 1.110 ( -6.547 -2.236 -0.809) 6.965 1.303 ( -7.670 -1.456 7.147) 10.584 1.577 ( -0.094 7.316 -2.975) 7.898 1.751 ( 4.392 -0.603 -2.242) 4.968 1.806 ( 5.197 -1.388 3.809) 6.591 1.945 ( 8.665 1.128 4.614) 9.882 2.112 ( -1.195 -4.277 -0.282) 4.450 2.193 ( 4.022 -1.926 -2.111) 4.934 2.517 ( -1.153 -0.525 0.983) 1.603 2.529 ( -3.321 -0.289 -2.281) 4.039 2.622 ( -0.411 0.774 1.026) 1.349 2.655 ( -2.011 1.765 -0.604) 2.743 2.659 ( 5.369 2.592 -1.209) 6.083 2.828 ( 1.984 -0.922 -3.216) 3.889 2.891 ( 1.105 1.360 -0.531) 1.831 2.953 ( 5.201 -0.106 -3.224) 6.119 2.963 ( 0.400 -0.381 1.800) 1.883 3.045 ( 3.658 -2.225 5.977) 7.352 3.189 ( -2.185 0.878 3.676) 4.365 3.342 ( 6.733 -3.029 -3.126) 8.018 3.662 ( 3.256 2.650 0.412) 4.218 3.744 ( 7.536 0.981 4.012) 8.593 4.039 ( 0.089 -0.992 4.500) 4.608 4.097 ( 3.589 -1.479 -1.139) 4.045 4.383 ( -1.169 -3.076 2.939) 4.413 4.447 ( 3.626 -4.045 -3.094) 6.251 4.691 ( -4.431 3.217 1.717) 5.738 4.737 ( -1.436 3.093 -4.194) 5.405 4.862 ( -1.054 -0.418 -4.866) 4.996 4.964 ( 3.462 -1.862 1.950) 4.388 5.283 ( -9.842 1.469 1.125) 10.014 5.434 ( -0.458 -1.683 -0.615) 1.849 5.481 ( -2.274 2.425 -3.106) 4.549 5.548 ( 1.341 1.265 -0.704) 1.973 5.826 ( -7.317 0.681 1.308) 7.464 5.890 ( -2.849 2.367 -1.879) 4.153 6.038 ( -8.910 -2.166 -2.108) 9.409 6.247 ( 1.535 -4.482 1.972) 5.132 6.314 ( -4.155 0.706 2.889) 5.110 6.393 ( -1.216 0.191 -1.416) 1.876 6.553 ( -3.798 0.732 -2.029) 4.367 6.597 ( -5.283 2.474 -0.311) 5.842 6.685 ( -0.856 -3.185 -1.738) 3.728 6.803 ( 2.061 -0.687 -1.366) 2.566 7.001 ( -0.013 1.753 1.638) 2.399 7.072 ( -4.223 -0.086 -0.516) 4.256 7.151 ( -2.455 -0.521 3.023) 3.929 7.194 ( 9.573 -0.326 2.410) 9.877 7.226 ( 2.386 2.032 0.879) 3.255 7.393 ( 9.713 -4.628 -3.439) 11.295 7.455 ( -2.460 0.740 -0.903) 2.723 7.647 ( 4.865 -0.756 3.578) 6.087 7.841 ( -4.267 6.379 -0.279) 7.680 8.106 ( 10.188 2.052 1.308) 10.475 8.608 ( -5.064 -3.967 -2.019) 6.742 8.705 ( -4.107 -3.694 -2.884) 6.231 8.784 ( 4.538 -2.047 1.174) 5.115 8.842 ( 2.958 -1.383 2.051) 3.856 9.173 ( -0.143 -0.304 0.858) 0.922 9.208 ( 2.716 -1.065 -3.512) 4.565 9.296 ( -0.117 0.291 2.902) 2.919 9.328 ( 1.111 -1.429 2.098) 2.771 9.721 ( -3.048 3.699 2.097) 5.232 9.766 ( 0.361 5.401 0.505) 5.436 9.913 ( -3.673 -1.576 -0.219) 4.003 9.955 ( -0.728 0.254 -1.419) 1.615 10.452 ( -5.280 0.098 0.007) 5.281 10.502 ( -2.179 -0.749 -0.805) 2.440 11.207 ( -3.455 -0.637 0.248) 3.522 11.274 ( -0.161 1.158 0.092) 1.173 11.338 ( 2.188 -0.315 -3.555) 4.187 11.403 ( 2.271 -2.212 4.797) 5.750 12.145 ( 0.843 -0.054 1.788) 1.977 12.202 ( 5.057 -1.007 -2.317) 5.653 12.457 ( -1.188 0.479 -2.029) 2.399 12.503 ( 1.177 -0.688 1.528) 2.048 12.837 ( -0.646 0.519 0.818) 1.165 12.874 ( 1.592 0.325 -0.434) 1.682 13.679 ( -10.413 4.646 -4.852) 12.392 13.872 ( -1.117 3.237 -2.614) 4.308 13.970 ( 0.295 0.656 -0.474) 0.862 14.041 ( 2.459 1.882 2.154) 3.772 14.223 ( -4.197 2.366 -5.606) 7.392 14.367 ( 1.165 -2.467 2.081) 3.431 14.558 ( -9.282 -6.033 -10.741) 15.425 14.692 ( -3.825 1.988 2.435) 4.951 14.785 ( -10.628 -4.155 3.959) 12.078 15.035 ( 4.462 -10.868 20.892) 23.969 15.308 ( 8.146 7.524 -11.141) 15.719 15.541 ( 18.306 2.086 -2.360) 18.575 16.382 ( -1.429 1.764 0.433) 2.311 16.439 ( 2.332 0.885 0.622) 2.570 16.746 ( 0.671 -0.845 -5.909) 6.007 16.798 ( 2.099 -1.490 8.803) 9.172 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -2.778 2.142 5.070) 6.166 0.890 ( -10.538 7.125 1.877) 12.858 1.122 ( 5.559 -8.164 5.640) 11.373 1.235 ( -9.146 3.966 10.822) 14.714 1.671 ( 4.625 0.036 7.305) 8.646 1.853 ( 5.719 0.039 3.806) 6.869 1.902 ( 2.187 -2.476 3.063) 4.505 2.031 ( 1.311 -1.544 -4.611) 5.036 2.119 ( 2.647 -1.631 -1.204) 3.334 2.227 ( 3.495 -1.063 -1.885) 4.111 2.383 ( -3.859 1.792 -7.448) 8.577 2.499 ( -3.688 0.135 2.439) 4.423 2.600 ( -4.244 0.776 -1.921) 4.723 2.634 ( 2.598 4.512 -1.293) 5.365 2.781 ( 9.816 1.603 -2.460) 10.245 2.825 ( 1.241 -2.591 2.419) 3.755 2.948 ( 5.474 2.186 2.323) 6.335 3.022 ( 2.566 -0.239 3.054) 3.996 3.042 ( 6.837 -1.114 0.183) 6.929 3.174 ( 3.417 -1.291 5.546) 6.641 3.230 ( 1.525 -0.053 4.177) 4.447 3.417 ( 5.926 -3.808 -1.089) 7.128 3.758 ( 7.127 2.610 1.067) 7.664 3.933 ( 9.001 -1.561 4.488) 10.178 4.101 ( 2.650 -0.472 2.156) 3.449 4.166 ( 4.912 0.466 1.066) 5.048 4.366 ( -1.537 -1.872 -1.020) 2.628 4.486 ( -0.796 -2.348 1.234) 2.769 4.610 ( -0.423 1.429 -3.413) 3.724 4.709 ( -1.416 2.036 2.690) 3.659 4.788 ( -0.990 1.232 -5.102) 5.341 5.019 ( 0.775 -2.935 0.959) 3.183 5.115 ( -11.100 2.715 -0.499) 11.438 5.359 ( -5.347 -2.108 -3.924) 6.960 5.383 ( -4.345 2.544 -4.164) 6.534 5.531 ( -1.466 -0.184 -2.931) 3.282 5.697 ( -12.076 -0.272 2.660) 12.369 5.756 ( -9.301 -0.304 -4.205) 10.212 5.926 ( -7.405 0.836 3.013) 8.038 6.206 ( -4.258 -1.809 -1.423) 4.840 6.250 ( -11.426 -1.834 1.309) 11.646 6.341 ( 0.546 -0.810 -2.378) 2.571 6.486 ( -3.252 1.162 -3.020) 4.588 6.551 ( 0.365 4.208 1.490) 4.479 6.643 ( -0.492 -4.466 -3.597) 5.756 6.801 ( -0.891 -0.799 0.305) 1.235 6.948 ( -3.468 0.209 -2.770) 4.444 7.079 ( 0.612 2.696 1.321) 3.064 7.147 ( -0.848 -2.455 -3.629) 4.462 7.210 ( -0.677 -1.832 3.506) 4.013 7.402 ( 10.349 -0.468 2.735) 10.715 7.499 ( 4.342 5.820 4.619) 8.606 7.541 ( 10.981 -4.628 -1.595) 12.023 7.725 ( 0.001 2.386 3.404) 4.157 7.825 ( 2.013 4.752 0.153) 5.163 8.282 ( 8.709 1.251 2.790) 9.230 8.538 ( -0.961 -5.370 -0.640) 5.493 8.614 ( -2.176 -8.252 -4.183) 9.504 8.765 ( -4.058 -0.095 -5.767) 7.052 8.888 ( 0.193 -0.643 -0.511) 0.844 9.162 ( 1.698 0.920 0.268) 1.950 9.204 ( 0.691 -0.648 -0.921) 1.321 9.382 ( 4.737 -1.674 -0.098) 5.025 9.420 ( 6.338 -1.419 5.887) 8.765 9.701 ( -3.227 2.722 2.822) 5.078 9.788 ( 0.041 5.644 2.194) 6.055 9.838 ( -5.428 -0.534 0.743) 5.505 9.923 ( -2.533 0.916 0.023) 2.694 10.339 ( -8.206 0.856 -1.330) 8.357 10.428 ( -5.134 -0.718 -1.927) 5.531 11.144 ( -3.864 0.519 0.018) 3.899 11.281 ( 0.535 0.252 1.042) 1.198 11.365 ( 4.209 -0.318 -2.108) 4.718 11.481 ( -0.043 -4.795 4.633) 6.668 12.193 ( 3.161 -0.915 0.927) 3.419 12.265 ( 6.738 -1.149 -2.836) 7.400 12.420 ( -0.560 1.193 -1.680) 2.135 12.536 ( 0.645 -1.778 1.728) 2.562 12.824 ( -0.498 0.426 -2.426) 2.513 12.886 ( 1.077 0.804 -1.649) 2.127 13.463 ( -9.685 2.520 -3.468) 10.592 13.771 ( -7.099 -2.282 -9.682) 12.221 13.856 ( -7.086 -0.644 -6.116) 9.382 14.015 ( -4.282 -3.512 -6.115) 8.250 14.089 ( -0.899 5.353 -8.758) 10.304 14.275 ( -5.659 3.942 1.241) 7.007 14.466 ( 0.122 -0.989 4.531) 4.640 14.619 ( -11.930 0.188 0.097) 11.931 14.731 ( -1.286 0.502 6.862) 7.000 15.306 ( 3.843 -14.408 12.659) 19.560 15.472 ( 17.780 9.518 2.799) 20.361 15.783 ( 15.606 3.331 -2.015) 16.085 16.378 ( -0.818 2.308 1.966) 3.141 16.496 ( 3.387 1.131 1.727) 3.967 16.715 ( 3.221 0.120 -4.263) 5.345 16.959 ( 4.123 -3.972 9.655) 11.225 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -2.723 7.235 8.199) 11.268 0.890 ( 1.464 7.463 19.670) 21.089 1.239 ( 5.374 0.498 8.704) 10.242 1.463 ( 12.491 -6.376 12.521) 18.800 1.786 ( -4.279 -7.348 10.823) 13.764 1.903 ( -2.512 1.177 -5.858) 6.481 1.975 ( 1.137 -6.576 6.357) 9.216 2.023 ( 0.476 1.114 -4.721) 4.873 2.063 ( 6.400 4.686 -3.920) 8.848 2.227 ( 1.931 -1.559 -7.472) 7.873 2.345 ( 1.633 3.375 3.081) 4.852 2.482 ( -4.086 -1.251 -5.173) 6.710 2.495 ( -4.000 3.102 5.390) 7.394 2.667 ( 3.005 4.060 0.008) 5.050 2.881 ( 7.209 0.958 -1.241) 7.377 2.914 ( 3.334 -0.671 3.738) 5.053 3.050 ( 5.962 3.949 -1.583) 7.324 3.113 ( 0.792 -3.364 6.483) 7.347 3.149 ( 5.852 -0.445 1.151) 5.981 3.249 ( 0.959 0.134 1.380) 1.686 3.326 ( 4.791 -1.566 3.008) 5.870 3.505 ( 6.499 -2.887 0.824) 7.159 3.889 ( 8.078 2.158 1.140) 8.439 4.082 ( 4.377 -2.564 1.590) 5.316 4.164 ( 2.967 0.412 1.025) 3.166 4.238 ( 2.133 1.770 0.510) 2.818 4.320 ( -2.476 0.295 -0.680) 2.585 4.443 ( -2.493 -3.226 -2.147) 4.607 4.625 ( 3.784 0.465 -0.092) 3.813 4.712 ( -2.074 1.600 -3.406) 4.297 4.764 ( 1.847 0.490 4.192) 4.607 4.913 ( -9.390 1.828 -0.883) 9.607 5.056 ( -1.447 -3.002 1.284) 3.571 5.205 ( -7.759 -1.844 -2.839) 8.465 5.275 ( -4.128 3.525 -3.770) 6.609 5.404 ( -9.547 -1.764 -4.974) 10.909 5.511 ( -15.601 -0.873 -0.489) 15.633 5.556 ( -8.637 0.041 -0.083) 8.637 5.858 ( -6.326 0.801 3.368) 7.211 6.059 ( -9.785 -3.764 1.483) 10.589 6.161 ( -1.039 1.748 -3.995) 4.483 6.313 ( -0.846 -1.065 -3.781) 4.018 6.410 ( -0.322 1.825 -2.926) 3.464 6.535 ( -2.017 -1.221 -2.647) 3.545 6.637 ( 1.362 -0.199 1.347) 1.926 6.792 ( -1.678 -1.007 1.427) 2.422 6.873 ( -1.762 0.324 -3.104) 3.584 7.007 ( -3.369 0.362 -5.698) 6.629 7.140 ( 1.687 0.823 -0.240) 1.892 7.279 ( 1.632 -1.348 3.891) 4.429 7.530 ( 3.867 0.581 0.267) 3.919 7.622 ( 4.308 4.922 4.051) 7.694 7.672 ( 7.204 -4.118 -0.893) 8.346 7.767 ( 1.899 3.425 1.754) 4.291 7.870 ( 2.069 1.390 1.689) 3.010 8.363 ( -4.207 -2.032 -1.993) 5.080 8.511 ( -1.353 -4.363 -7.089) 8.434 8.582 ( 5.385 -3.310 -0.542) 6.344 8.664 ( 0.764 -2.405 3.433) 4.261 8.821 ( -3.236 -2.019 -5.006) 6.293 9.227 ( 3.031 0.740 1.825) 3.615 9.251 ( 3.570 0.455 4.628) 5.863 9.432 ( 3.925 -0.371 -3.624) 5.355 9.574 ( 5.183 -3.574 3.002) 6.975 9.693 ( -1.741 1.883 2.824) 3.815 9.752 ( -6.006 -0.181 3.184) 6.800 9.843 ( 2.479 5.122 0.054) 5.691 9.879 ( -2.842 1.298 -0.381) 3.148 10.177 ( -10.053 1.445 -1.950) 10.342 10.304 ( -6.966 -0.331 -3.460) 7.785 11.107 ( -1.987 1.249 1.535) 2.805 11.303 ( 0.164 -0.995 0.944) 1.381 11.399 ( 3.271 -0.622 -2.125) 3.950 11.476 ( -5.809 -5.172 1.131) 7.860 12.258 ( 4.169 -1.996 0.251) 4.629 12.334 ( 6.393 -1.651 -3.080) 7.286 12.406 ( 0.906 1.054 -0.966) 1.693 12.559 ( -0.234 -3.028 1.304) 3.306 12.742 ( -2.547 1.092 -7.310) 7.818 12.848 ( -1.438 1.378 -4.214) 4.661 13.341 ( -4.484 0.529 2.287) 5.061 13.479 ( -9.248 -3.423 -2.053) 10.073 13.771 ( -1.968 3.376 -0.813) 3.992 13.883 ( -1.623 -1.048 -7.473) 7.719 14.012 ( -1.337 6.270 -2.653) 6.938 14.236 ( -3.800 5.544 1.664) 6.924 14.415 ( -9.367 5.550 -4.526) 11.791 14.545 ( -0.623 -0.617 6.021) 6.085 14.804 ( -1.955 -5.075 9.444) 10.899 15.452 ( 3.608 -16.702 2.550) 17.277 15.809 ( 18.140 6.904 3.738) 19.766 15.964 ( 9.544 5.629 -0.202) 11.082 16.404 ( -0.189 3.137 3.662) 4.826 16.580 ( 4.230 3.309 1.903) 5.698 16.744 ( 5.235 -1.634 -1.809) 5.775 17.127 ( 5.143 -6.444 5.404) 9.858 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.792 4.192 14.214) 14.840 1.185 ( 0.812 5.470 21.624) 22.320 1.482 ( 12.575 -1.877 1.764) 12.836 1.701 ( -3.318 -5.298 -11.386) 12.989 1.751 ( 5.921 -4.240 7.530) 10.475 1.859 ( -2.231 1.422 8.177) 8.594 1.965 ( 4.428 2.268 -6.126) 7.891 2.051 ( -2.243 -7.839 6.830) 10.636 2.191 ( 5.660 -3.165 -5.488) 8.495 2.225 ( 3.725 2.517 10.325) 11.261 2.367 ( 0.151 0.366 -3.360) 3.383 2.384 ( -2.913 5.212 1.015) 6.057 2.492 ( -3.815 4.874 3.558) 7.139 2.739 ( 4.554 3.065 1.728) 5.755 2.957 ( 6.747 1.697 -4.314) 8.186 3.015 ( 2.838 -0.780 4.431) 5.319 3.091 ( 2.460 -1.142 -1.692) 3.197 3.158 ( -2.730 -0.818 0.853) 2.975 3.211 ( -0.089 0.644 5.393) 5.432 3.288 ( 2.740 2.117 0.770) 3.547 3.443 ( 8.545 -0.848 0.291) 8.592 3.642 ( 9.526 -2.360 1.541) 9.934 4.018 ( -10.800 0.046 -3.242) 11.276 4.026 ( 3.888 1.237 2.020) 4.553 4.174 ( -2.482 1.033 1.475) 3.067 4.240 ( -6.330 -2.496 -4.772) 8.311 4.300 ( 10.086 -0.664 -4.211) 10.950 4.402 ( -0.274 -1.251 -1.995) 2.370 4.625 ( -4.525 1.188 0.975) 4.779 4.695 ( 2.086 0.391 -0.711) 2.238 4.807 ( -2.655 -0.987 3.697) 4.658 4.823 ( -4.318 -1.083 1.533) 4.708 5.015 ( -3.651 -3.223 -0.226) 4.875 5.066 ( -7.057 -1.705 0.891) 7.314 5.160 ( -4.073 3.380 -3.786) 6.508 5.228 ( -4.354 3.930 -0.802) 5.920 5.366 ( -4.085 -0.974 2.018) 4.659 5.445 ( -4.545 -1.617 -1.643) 5.096 5.814 ( -4.121 0.384 3.432) 5.377 5.977 ( -3.150 -4.139 -0.033) 5.202 6.089 ( -1.619 1.596 -3.638) 4.290 6.231 ( -2.218 -0.654 -5.110) 5.609 6.408 ( 1.751 1.044 -1.075) 2.305 6.476 ( -0.788 -1.708 -2.627) 3.230 6.678 ( 0.468 0.586 3.017) 3.108 6.779 ( -1.875 -0.063 0.897) 2.079 6.818 ( -0.710 0.642 -3.015) 3.163 6.899 ( -1.790 0.781 -5.431) 5.771 7.165 ( 2.515 1.733 -0.623) 3.117 7.309 ( -1.596 0.058 0.035) 1.598 7.563 ( 0.268 2.155 1.850) 2.853 7.696 ( 2.203 2.177 -0.210) 3.104 7.759 ( 4.463 -4.035 1.391) 6.175 7.823 ( 2.649 1.219 1.592) 3.322 7.917 ( 0.391 -0.261 2.262) 2.310 8.165 ( -8.648 -3.817 -5.721) 11.049 8.452 ( -1.114 2.618 -1.696) 3.312 8.595 ( -3.021 -0.447 -4.875) 5.753 8.775 ( 4.780 -5.140 3.788) 7.977 8.828 ( 7.838 -5.934 2.569) 10.161 9.316 ( 3.840 2.178 3.720) 5.773 9.354 ( 0.954 -0.284 5.301) 5.393 9.430 ( -0.069 2.041 0.418) 2.085 9.638 ( 1.283 -3.511 0.991) 3.867 9.706 ( 0.350 0.854 0.335) 0.982 9.735 ( 1.862 0.217 -1.004) 2.127 9.827 ( -1.981 2.073 -2.872) 4.058 9.848 ( -0.265 2.841 -1.709) 3.326 10.003 ( -9.456 1.332 -0.823) 9.585 10.131 ( -8.541 0.002 -5.561) 10.192 11.116 ( 0.259 0.905 1.987) 2.199 11.269 ( -6.022 -2.707 -0.569) 6.627 11.385 ( -3.268 -0.245 0.840) 3.383 11.416 ( 1.863 -0.657 -2.145) 2.917 12.316 ( 2.827 -1.894 0.120) 3.405 12.374 ( 2.711 -0.601 -2.434) 3.693 12.430 ( 3.341 -1.490 -0.580) 3.704 12.545 ( -1.027 -2.612 -1.749) 3.307 12.661 ( -0.111 1.701 -1.321) 2.156 12.771 ( -2.105 0.481 -3.512) 4.123 13.381 ( 2.060 0.796 7.016) 7.356 13.475 ( -0.407 -0.789 8.196) 8.244 13.760 ( 1.468 2.002 -0.741) 2.591 13.803 ( 0.490 0.896 -3.595) 3.737 13.950 ( -3.720 6.534 -3.171) 8.160 14.183 ( -5.051 5.011 -2.361) 7.497 14.259 ( -1.778 5.730 -1.844) 6.276 14.543 ( -4.248 2.800 -0.789) 5.149 14.916 ( -1.713 -10.817 14.760) 18.380 15.476 ( 2.637 -17.690 -6.526) 19.039 16.061 ( 11.495 4.206 -0.272) 12.244 16.071 ( 2.934 6.618 2.174) 7.559 16.457 ( 0.306 4.433 5.134) 6.790 16.637 ( 2.192 5.846 -1.433) 6.406 16.847 ( 7.303 -4.222 2.824) 8.896 17.203 ( 1.098 -7.299 -1.779) 7.593 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 2.131 2.169 7.541) 8.131 1.227 ( -0.308 -6.955 -0.632) 6.990 1.569 ( -5.941 9.603 7.508) 13.560 1.673 ( 3.788 1.651 -1.445) 4.377 1.806 ( 1.704 -5.078 1.467) 5.554 1.851 ( -1.429 -7.432 -1.371) 7.691 1.939 ( -0.607 0.546 0.117) 0.824 1.958 ( 3.439 -0.588 -2.071) 4.057 2.290 ( 4.014 1.815 3.692) 5.747 2.322 ( 2.929 -0.704 2.650) 4.012 2.416 ( -0.698 3.144 -5.138) 6.064 2.446 ( 0.852 -0.156 -5.362) 5.432 2.701 ( -1.891 9.870 15.174) 18.200 2.858 ( 2.051 -0.313 4.598) 5.045 2.985 ( -2.625 -0.004 1.202) 2.887 3.019 ( -1.245 -1.248 0.772) 1.924 3.037 ( -0.214 -1.585 -2.712) 3.149 3.073 ( -1.094 -5.196 0.088) 5.310 3.310 ( 1.368 1.705 1.511) 2.657 3.323 ( -0.570 0.571 0.328) 0.871 3.673 ( 8.785 1.767 -1.868) 9.154 3.704 ( 3.273 -0.613 -4.443) 5.552 3.811 ( -0.474 0.310 -0.314) 0.648 3.859 ( -12.041 -4.499 -5.894) 14.141 4.169 ( -0.719 2.048 3.613) 4.215 4.187 ( -1.777 0.569 1.739) 2.551 4.346 ( -3.031 0.644 -0.653) 3.167 4.371 ( 2.516 -1.638 -2.800) 4.105 4.634 ( -2.329 2.460 4.434) 5.580 4.705 ( -1.076 -3.455 1.912) 4.093 4.720 ( 2.108 1.462 -1.719) 3.088 4.777 ( 3.589 -2.932 -2.763) 5.395 5.001 ( 0.798 1.661 2.779) 3.335 5.028 ( -0.106 -0.462 1.010) 1.116 5.149 ( -2.644 1.711 0.425) 3.178 5.187 ( -3.240 -1.481 -2.391) 4.290 5.375 ( 2.004 0.724 -0.147) 2.136 5.392 ( 4.459 -0.831 -1.737) 4.857 5.833 ( 0.499 0.823 1.770) 2.015 5.868 ( 0.466 -2.466 -1.478) 2.912 6.071 ( -0.029 0.535 -1.252) 1.362 6.096 ( -1.592 -1.730 -3.552) 4.260 6.437 ( -0.768 0.919 0.216) 1.216 6.448 ( -0.151 -0.111 -0.741) 0.765 6.727 ( -0.197 0.348 1.753) 1.798 6.741 ( -1.276 -0.911 0.573) 1.670 6.831 ( 0.139 2.250 -0.497) 2.309 6.860 ( 1.629 -0.256 -2.629) 3.103 7.236 ( 0.939 1.339 0.127) 1.640 7.255 ( -1.222 -0.318 -1.733) 2.145 7.673 ( 1.018 4.225 2.697) 5.115 7.727 ( 0.932 1.811 -1.996) 2.852 7.786 ( 1.295 -1.386 2.436) 3.088 7.844 ( -2.668 -2.414 -2.034) 4.133 7.911 ( -0.271 -1.080 1.722) 2.051 7.930 ( -2.554 -3.593 -0.967) 4.513 8.489 ( 0.310 1.897 -0.561) 2.002 8.504 ( -1.788 0.521 -2.048) 2.768 8.789 ( 1.643 -2.251 1.615) 3.221 8.808 ( 2.779 -3.872 -0.280) 4.775 9.402 ( -2.045 0.494 3.869) 4.404 9.408 ( -2.102 -0.069 3.225) 3.851 9.577 ( 5.004 3.313 5.297) 8.004 9.622 ( 1.215 -0.950 2.108) 2.612 9.716 ( -3.650 0.793 -0.308) 3.748 9.739 ( -1.675 -1.074 0.539) 2.061 9.796 ( 0.689 2.301 -5.499) 6.001 9.839 ( 0.310 -1.316 -5.168) 5.342 9.939 ( -0.943 1.371 0.359) 1.703 9.959 ( -0.932 -0.462 -2.272) 2.499 11.163 ( 1.264 0.196 1.153) 1.722 11.170 ( -1.118 -0.423 0.424) 1.269 11.381 ( -0.397 0.481 0.086) 0.630 11.396 ( 0.541 -0.860 -1.353) 1.692 12.342 ( 0.185 1.043 0.734) 1.289 12.364 ( 0.733 -0.429 -1.512) 1.734 12.429 ( 1.048 -1.146 -0.040) 1.554 12.450 ( -1.227 -2.410 -2.071) 3.406 12.683 ( -0.483 0.868 0.504) 1.114 12.702 ( -0.837 -0.864 -1.367) 1.821 13.557 ( 3.488 1.015 4.884) 6.087 13.565 ( 1.078 0.301 4.236) 4.381 13.808 ( 3.028 2.284 -0.404) 3.814 13.831 ( 1.123 0.720 -1.333) 1.886 14.003 ( -0.824 4.028 -0.247) 4.119 14.071 ( -5.980 -1.679 -5.952) 8.602 14.470 ( 1.332 11.100 8.500) 14.045 14.632 ( -1.512 13.810 -6.806) 15.470 14.768 ( -1.311 -14.249 12.158) 18.777 15.004 ( -0.190 -18.592 -10.079) 21.149 16.189 ( 0.206 2.036 -0.153) 2.052 16.201 ( 2.104 0.705 -1.204) 2.525 16.679 ( 0.899 8.340 4.775) 9.653 16.756 ( -1.348 5.871 -2.817) 6.650 16.886 ( 4.304 -5.373 4.812) 8.400 16.966 ( -3.947 -8.177 -2.931) 9.541 ======================= Grid point 176 (100/108) ======================= q-point: ( 0.10 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 1.682 3.869 -3.755) 5.648 1.311 ( 9.254 -7.965 0.589) 12.224 1.518 ( -9.606 8.969 5.175) 14.125 1.645 ( -4.407 1.804 -2.987) 5.621 1.785 ( -0.258 -3.332 -1.941) 3.865 1.878 ( 0.636 -6.383 2.146) 6.764 1.936 ( 1.129 1.117 -1.596) 2.251 1.975 ( 2.721 -2.875 -3.791) 5.481 2.200 ( -11.089 4.842 -6.709) 13.836 2.294 ( -4.825 -3.478 -6.828) 9.056 2.375 ( -1.954 2.862 2.406) 4.219 2.425 ( 0.788 -1.088 1.788) 2.236 2.786 ( -0.555 7.047 0.265) 7.074 2.900 ( 2.857 2.637 -5.129) 6.436 2.972 ( -4.118 1.752 0.719) 4.533 2.993 ( -4.249 -3.119 1.851) 5.586 3.002 ( 0.670 0.994 4.378) 4.539 3.110 ( 1.689 -6.240 2.532) 6.943 3.292 ( -2.119 0.963 -1.676) 2.868 3.309 ( -2.182 -0.298 -0.313) 2.225 3.478 ( -10.853 4.870 -2.778) 12.215 3.596 ( -9.394 -5.503 -3.670) 11.489 3.928 ( 4.642 0.023 4.472) 6.445 3.941 ( 4.217 -0.872 3.671) 5.658 4.183 ( 1.727 1.132 2.239) 3.046 4.204 ( 2.831 -0.745 2.324) 3.738 4.274 ( -3.351 2.569 -0.854) 4.308 4.338 ( -2.904 -3.131 -0.527) 4.303 4.680 ( 0.323 3.013 2.927) 4.213 4.746 ( 3.302 2.507 -2.790) 4.998 4.757 ( 3.984 -3.027 1.256) 5.159 4.825 ( 6.390 -3.465 -3.668) 8.142 5.012 ( 1.205 1.153 -0.733) 1.822 5.044 ( 1.133 -1.597 -0.243) 1.973 5.161 ( 3.611 3.479 3.339) 6.024 5.236 ( 6.015 -2.706 3.721) 7.573 5.389 ( 3.291 2.455 -3.850) 5.628 5.444 ( 7.485 -2.132 -4.000) 8.751 5.871 ( 3.465 -0.009 -1.667) 3.845 5.891 ( 4.630 -1.650 0.258) 4.922 6.081 ( 2.140 0.867 0.376) 2.339 6.114 ( 3.774 -2.026 2.366) 4.894 6.413 ( -2.787 0.916 0.810) 3.044 6.428 ( -1.695 -0.316 0.881) 1.936 6.718 ( -1.705 0.181 0.165) 1.722 6.732 ( -0.902 -1.057 1.105) 1.776 6.860 ( 2.739 2.450 0.626) 3.728 6.886 ( 4.642 0.247 -2.059) 5.084 7.212 ( -2.129 2.624 -0.357) 3.398 7.259 ( 0.500 -1.697 1.127) 2.097 7.642 ( -4.301 2.469 -0.911) 5.042 7.703 ( -3.381 -1.356 -3.200) 4.849 7.777 ( -0.330 2.507 0.921) 2.691 7.848 ( 0.272 -1.045 2.433) 2.662 7.919 ( -0.115 -0.898 0.397) 0.989 7.953 ( 2.338 -4.388 3.273) 5.953 8.490 ( 1.057 2.820 0.750) 3.104 8.533 ( 3.993 -0.450 2.046) 4.509 8.742 ( -5.913 -1.480 -2.834) 6.722 8.781 ( -2.994 -4.319 -3.846) 6.513 9.379 ( -5.250 0.505 0.980) 5.365 9.387 ( -4.523 -0.308 1.121) 4.670 9.535 ( -7.285 3.178 -1.940) 8.182 9.586 ( -7.599 -1.838 0.049) 7.819 9.736 ( 5.467 1.321 1.821) 5.911 9.747 ( 4.265 0.563 -0.532) 4.334 9.816 ( 3.840 1.709 0.156) 4.206 9.850 ( 2.453 -0.868 0.783) 2.717 10.012 ( 8.005 0.720 1.004) 8.100 10.027 ( 7.930 -0.528 1.966) 8.187 11.177 ( 1.994 1.679 -0.704) 2.700 11.215 ( 4.197 -1.907 0.242) 4.616 11.373 ( -1.165 0.356 0.648) 1.380 11.389 ( 0.415 -1.022 -0.668) 1.289 12.303 ( -4.413 0.958 -0.092) 4.516 12.334 ( -3.394 -1.561 -0.904) 3.844 12.423 ( 0.193 0.406 -0.264) 0.521 12.458 ( 1.058 -2.463 0.859) 2.815 12.685 ( -0.418 0.717 0.416) 0.928 12.701 ( 0.497 -0.743 1.698) 1.919 13.541 ( -3.225 1.312 -4.871) 5.988 13.569 ( -2.541 -1.246 -3.257) 4.314 13.761 ( -1.705 3.459 -0.526) 3.892 13.823 ( -1.859 -2.096 -2.699) 3.890 14.059 ( 7.185 6.720 3.183) 10.340 14.145 ( 9.498 -0.591 5.834) 11.162 14.519 ( -0.872 14.330 -7.324) 16.117 14.599 ( 2.158 9.917 7.312) 12.509 14.867 ( -0.696 -16.667 -8.773) 18.848 14.900 ( -1.322 -16.216 10.393) 19.306 16.145 ( -5.329 3.255 -1.041) 6.331 16.179 ( -2.362 -0.137 -2.404) 3.373 16.643 ( -5.589 6.670 -1.284) 8.796 16.751 ( -1.355 2.489 1.089) 3.036 16.839 ( -4.956 -0.521 -3.411) 6.039 16.984 ( 1.436 -8.355 2.878) 8.953 ======================= Grid point 177 (101/108) ======================= q-point: ( 0.20 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 3.845 11.237 -6.115) 13.359 1.372 ( -0.242 -3.385 -10.954) 11.468 1.400 ( -7.874 6.177 -3.955) 10.761 1.529 ( 1.964 -8.574 -4.562) 9.908 1.715 ( -5.179 2.491 -7.311) 9.300 1.864 ( -5.082 -9.219 -5.091) 11.693 1.896 ( -2.933 0.570 1.626) 3.402 1.932 ( 0.526 -1.818 1.510) 2.421 2.067 ( -1.679 5.415 4.659) 7.338 2.201 ( -1.293 -4.724 0.046) 4.898 2.348 ( -2.907 3.597 0.161) 4.628 2.421 ( -2.076 -2.390 -0.820) 3.271 2.765 ( 3.406 5.870 -6.802) 9.608 2.836 ( -0.930 2.163 -5.953) 6.401 2.891 ( -8.451 2.178 2.432) 9.060 2.931 ( -4.168 -3.576 -1.241) 5.630 3.064 ( -0.808 2.702 1.348) 3.126 3.127 ( -0.924 -2.947 -0.852) 3.203 3.242 ( -0.725 -0.139 -1.863) 2.004 3.271 ( -1.790 -2.624 0.190) 3.182 3.307 ( -9.175 5.749 -1.285) 10.903 3.433 ( -8.695 -5.502 -1.329) 10.375 3.900 ( -8.429 2.997 4.324) 9.936 3.978 ( -6.364 -4.194 3.705) 8.474 4.184 ( -3.975 2.450 1.030) 4.782 4.240 ( -4.587 -2.337 1.625) 5.398 4.348 ( 8.917 1.334 -1.358) 9.117 4.379 ( 11.821 -1.381 -1.186) 11.961 4.659 ( -4.701 3.115 0.182) 5.642 4.721 ( -2.791 -1.203 -0.927) 3.177 4.822 ( 2.716 2.145 -0.838) 3.561 4.898 ( 6.101 -3.207 -0.666) 6.925 5.049 ( 3.699 1.288 0.273) 3.927 5.100 ( 5.354 -2.997 1.846) 6.407 5.285 ( 5.637 3.739 3.411) 7.576 5.360 ( 3.157 -2.713 0.908) 4.260 5.468 ( 13.235 3.654 -0.261) 13.733 5.559 ( 12.674 -3.882 -3.018) 13.595 5.937 ( 7.771 1.778 -1.738) 8.159 5.995 ( 9.259 -3.510 -0.787) 9.933 6.144 ( 3.228 2.834 2.359) 4.900 6.205 ( 3.188 -2.655 2.829) 5.022 6.398 ( -0.477 1.935 2.145) 2.928 6.439 ( 0.759 -1.856 2.422) 3.144 6.695 ( -0.823 1.354 -0.907) 1.826 6.738 ( 0.557 -2.781 0.452) 2.872 6.905 ( 1.518 3.465 1.211) 3.972 6.945 ( 4.290 -0.181 0.355) 4.309 7.180 ( -2.017 3.596 0.159) 4.126 7.264 ( -0.807 -3.951 -0.436) 4.056 7.560 ( -4.665 0.301 -1.471) 4.900 7.590 ( -6.222 -2.564 -1.967) 7.011 7.786 ( -2.136 5.299 -0.075) 5.714 7.848 ( -1.380 0.454 -0.172) 1.463 7.915 ( 0.003 3.234 1.102) 3.417 8.066 ( 3.935 -8.798 7.253) 12.062 8.509 ( -3.385 3.602 -0.282) 4.951 8.583 ( -8.067 -1.519 -3.740) 9.021 8.646 ( 5.019 -1.469 2.738) 5.903 8.687 ( 1.365 -3.223 -1.768) 3.921 9.271 ( -7.051 0.632 -1.003) 7.150 9.288 ( -7.622 -0.926 -0.602) 7.702 9.442 ( -4.851 3.710 1.074) 6.201 9.513 ( -4.642 -2.964 1.621) 5.741 9.796 ( 5.033 1.649 -3.350) 6.266 9.818 ( 6.976 -0.523 -4.001) 8.058 9.884 ( 2.109 2.095 2.249) 3.728 9.903 ( 3.097 0.277 0.705) 3.189 10.168 ( 8.977 1.208 2.384) 9.366 10.195 ( 7.572 -1.275 4.422) 8.861 11.203 ( 3.109 3.349 -1.899) 4.949 11.271 ( 2.216 -2.767 -0.519) 3.583 11.361 ( -1.577 0.912 0.729) 1.962 11.407 ( 3.150 -3.480 -0.773) 4.757 12.230 ( -5.115 0.727 0.742) 5.219 12.262 ( -4.732 -2.083 0.140) 5.172 12.429 ( 0.315 1.967 0.348) 2.022 12.483 ( 0.716 -2.936 1.203) 3.253 12.695 ( -0.308 2.463 2.888) 3.808 12.743 ( 0.318 -1.914 4.368) 4.779 13.435 ( -0.215 1.361 -5.142) 5.324 13.476 ( -0.570 -2.469 -4.813) 5.439 13.765 ( 0.051 2.141 2.639) 3.399 13.803 ( 0.447 -1.291 1.273) 1.868 14.195 ( 4.199 11.448 1.487) 12.285 14.361 ( 10.217 -2.685 3.784) 11.221 14.461 ( 2.838 10.875 -4.141) 11.978 14.644 ( -0.961 -0.799 -3.574) 3.786 14.805 ( 3.547 -3.983 -1.541) 5.552 14.992 ( -3.017 -14.941 9.347) 17.880 15.990 ( -12.170 5.428 -2.715) 13.599 16.066 ( -7.483 -1.766 -4.247) 8.784 16.544 ( -3.983 4.340 -2.373) 6.351 16.650 ( -6.611 -5.337 -3.051) 9.027 16.793 ( -1.184 9.665 -0.247) 9.740 16.998 ( -1.690 -9.414 -0.045) 9.565 ======================= Grid point 178 (102/108) ======================= q-point: ( 0.30 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -3.906 7.992 -13.490) 16.159 1.162 ( -3.148 0.863 -9.663) 10.200 1.242 ( 1.889 6.020 -13.553) 14.949 1.482 ( 2.767 -10.729 -11.000) 15.613 1.606 ( -2.124 4.791 1.691) 5.507 1.790 ( 1.001 -10.699 -0.208) 10.748 1.936 ( 0.090 1.636 4.433) 4.726 1.984 ( 0.730 -2.570 2.711) 3.806 2.087 ( -4.694 6.221 0.394) 7.803 2.140 ( -3.540 0.356 -2.054) 4.108 2.352 ( 0.048 0.471 2.374) 2.421 2.404 ( 1.500 -3.780 4.424) 6.009 2.727 ( -1.378 5.470 -3.542) 6.661 2.750 ( -1.191 1.624 -4.179) 4.639 2.776 ( -10.293 1.527 2.758) 10.765 2.846 ( -0.943 -3.921 -5.939) 7.178 3.014 ( -3.083 2.413 -2.674) 4.741 3.060 ( -3.085 -1.350 -5.406) 6.369 3.159 ( -6.108 2.648 -2.416) 7.082 3.204 ( -3.793 -1.220 -1.733) 4.345 3.257 ( -1.481 -1.179 0.548) 1.971 3.306 ( -5.054 -4.697 -0.549) 6.921 3.816 ( -7.551 3.358 2.501) 8.634 3.884 ( -9.047 -3.307 2.165) 9.873 4.136 ( -3.400 0.862 -0.311) 3.522 4.166 ( -5.594 -1.917 -0.009) 5.913 4.429 ( 4.372 4.011 -4.976) 7.744 4.508 ( 7.640 -1.071 -3.361) 8.416 4.598 ( -2.169 1.627 0.781) 2.821 4.679 ( -0.771 -3.743 0.706) 3.887 4.835 ( 0.717 4.906 0.258) 4.965 4.946 ( 0.608 -5.106 -0.262) 5.149 5.152 ( 6.956 3.465 2.634) 8.206 5.223 ( 5.408 -3.070 3.778) 7.276 5.395 ( 3.919 3.212 2.795) 5.786 5.436 ( 4.255 -1.170 3.147) 5.420 5.673 ( 9.918 1.116 2.258) 10.233 5.721 ( 10.992 -3.162 -1.887) 11.593 6.048 ( 8.573 3.424 -2.465) 9.555 6.128 ( 7.335 -4.023 -0.878) 8.412 6.242 ( 6.322 1.860 1.883) 6.854 6.281 ( 4.708 -1.248 1.750) 5.175 6.449 ( 2.455 1.717 2.800) 4.101 6.498 ( 2.574 -2.675 2.887) 4.703 6.675 ( 0.917 3.113 -2.047) 3.837 6.755 ( 2.000 -4.454 -1.113) 5.007 6.946 ( 0.704 5.095 3.474) 6.207 7.022 ( 3.024 -1.731 3.046) 4.628 7.151 ( -1.498 2.861 -0.600) 3.285 7.232 ( 0.076 -4.300 -2.913) 5.194 7.442 ( -8.143 -0.430 -2.903) 8.655 7.455 ( -9.229 -1.895 -1.418) 9.528 7.709 ( -4.130 4.821 -3.478) 7.238 7.786 ( -3.771 -2.364 -2.859) 5.290 7.966 ( 1.238 9.764 3.225) 10.357 8.202 ( -0.680 -11.983 6.845) 13.817 8.391 ( -3.037 2.108 -1.886) 4.150 8.449 ( -3.706 -3.201 -1.205) 5.043 8.741 ( 4.342 2.927 3.244) 6.160 8.802 ( 4.490 -2.576 4.231) 6.686 9.166 ( -5.137 -0.170 -0.358) 5.152 9.176 ( -6.159 -1.004 0.417) 6.254 9.382 ( -4.169 3.032 0.300) 5.164 9.446 ( -4.776 -2.855 -0.970) 5.649 9.823 ( 3.854 2.731 -3.430) 5.837 9.868 ( 5.618 -1.628 -3.940) 7.052 9.916 ( 0.554 3.235 -0.321) 3.297 9.951 ( 3.080 -0.389 -1.165) 3.316 10.324 ( 7.136 0.880 2.580) 7.639 10.344 ( 5.382 -1.075 3.837) 6.696 11.224 ( 2.721 3.346 -2.048) 4.774 11.274 ( -0.610 -1.472 -0.062) 1.594 11.341 ( -1.628 2.127 0.079) 2.679 11.437 ( 2.844 -6.452 -3.356) 7.809 12.172 ( -4.122 0.790 1.625) 4.501 12.200 ( -4.117 -1.698 1.060) 4.578 12.441 ( 0.750 2.479 0.305) 2.608 12.503 ( 0.761 -3.309 -0.167) 3.400 12.750 ( -0.218 2.609 6.552) 7.056 12.803 ( -0.862 -2.039 5.741) 6.154 13.458 ( 6.535 1.998 1.441) 6.984 13.510 ( 7.417 -2.951 3.238) 8.614 13.819 ( 1.291 1.500 4.668) 5.070 13.850 ( 1.404 -1.350 3.877) 4.338 14.222 ( 0.677 12.237 -1.202) 12.314 14.461 ( -0.506 -4.870 -3.230) 5.866 14.499 ( 5.123 4.558 -2.202) 7.202 14.630 ( 7.209 -1.305 -1.132) 7.413 14.856 ( 3.315 2.866 -1.715) 4.706 15.021 ( -3.555 -12.408 4.330) 13.615 15.720 ( -16.374 7.755 -4.605) 18.694 15.855 ( -10.939 -4.618 -6.714) 13.641 16.472 ( -1.998 2.684 -1.989) 3.892 16.535 ( -3.870 -2.867 -2.524) 5.438 16.761 ( -2.122 8.027 -0.718) 8.334 16.941 ( -2.893 -8.610 -3.089) 9.594 ======================= Grid point 179 (103/108) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 6.900 4.618 -8.872) 12.151 1.028 ( 5.083 -4.929 -9.321) 11.705 1.197 ( 2.599 7.230 -4.817) 9.068 1.370 ( -5.484 -8.475 -5.315) 11.408 1.663 ( 5.409 7.151 0.768) 8.999 1.795 ( -1.166 -5.105 -1.774) 5.529 1.879 ( -7.843 6.662 -4.292) 11.150 1.989 ( 0.914 -2.666 2.814) 3.983 2.043 ( -3.588 -2.046 -4.566) 6.157 2.066 ( 1.165 -2.719 -0.163) 2.963 2.445 ( 3.876 3.267 6.635) 8.350 2.509 ( 2.000 -2.101 4.529) 5.378 2.643 ( -7.057 2.342 3.827) 8.362 2.653 ( -9.598 1.030 3.922) 10.419 2.730 ( 2.941 1.012 -3.271) 4.513 2.779 ( 3.196 -2.949 -7.947) 9.059 2.918 ( -3.916 1.522 -3.000) 5.163 2.951 ( -2.873 -0.046 -3.788) 4.754 3.055 ( -2.882 0.300 -4.492) 5.346 3.103 ( -3.212 -3.524 -4.046) 6.254 3.234 ( -2.124 0.200 0.714) 2.250 3.260 ( -0.828 -1.718 -1.081) 2.192 3.734 ( -5.246 2.610 0.970) 5.939 3.775 ( -7.247 -1.594 1.098) 7.501 4.062 ( -4.917 0.671 -0.720) 5.014 4.084 ( -3.516 -1.564 -1.256) 4.047 4.378 ( -0.898 3.717 -4.984) 6.282 4.481 ( 0.390 -5.680 -8.853) 10.526 4.662 ( 3.513 4.589 5.381) 7.896 4.737 ( 3.709 -2.375 2.931) 5.290 4.858 ( 1.590 3.216 -0.134) 3.590 4.934 ( -0.800 -3.846 -0.979) 4.049 5.288 ( 4.907 2.159 3.993) 6.685 5.333 ( 1.958 -1.997 4.513) 5.309 5.485 ( 3.337 3.192 2.782) 5.391 5.529 ( 2.411 -0.836 2.902) 3.864 5.819 ( 5.742 1.005 2.528) 6.353 5.852 ( 7.741 -2.342 0.485) 8.102 6.105 ( 2.866 3.412 -3.483) 5.656 6.182 ( 1.286 -3.788 -1.220) 4.182 6.329 ( 2.759 1.813 1.597) 3.668 6.376 ( 3.120 -2.524 -0.688) 4.072 6.545 ( 7.281 1.792 1.762) 7.703 6.581 ( 4.002 -1.657 2.147) 4.834 6.688 ( 3.676 3.258 -1.909) 5.270 6.763 ( 0.374 -3.173 -1.204) 3.414 7.012 ( 1.289 3.627 4.306) 5.775 7.091 ( 0.330 -3.336 2.480) 4.170 7.131 ( 0.611 4.125 0.067) 4.171 7.216 ( -1.511 -2.992 -1.923) 3.864 7.259 ( -5.385 -0.759 -4.539) 7.083 7.284 ( -9.391 -2.586 -1.029) 9.795 7.596 ( -3.833 4.432 -4.730) 7.531 7.676 ( -5.434 -3.034 -3.775) 7.279 7.998 ( 0.466 8.189 0.993) 8.262 8.135 ( -7.856 -3.212 0.019) 8.488 8.473 ( 3.442 -2.898 5.754) 7.305 8.474 ( 6.364 -3.981 3.435) 8.255 8.796 ( -1.573 2.612 0.683) 3.124 8.852 ( -1.473 -2.433 -0.729) 2.936 9.124 ( -2.613 -0.242 2.883) 3.898 9.130 ( -0.953 -0.660 2.494) 2.750 9.330 ( -2.171 1.081 -0.312) 2.445 9.359 ( -3.078 -1.444 -2.555) 4.253 9.836 ( 2.058 3.467 -1.928) 4.469 9.894 ( 1.332 0.131 -2.368) 2.720 9.907 ( 1.186 2.100 -1.584) 2.886 9.965 ( 1.684 -1.637 -2.566) 3.479 10.439 ( 4.360 0.120 1.825) 4.728 10.447 ( 2.812 -0.652 2.713) 3.961 11.244 ( 1.844 1.691 -0.585) 2.569 11.268 ( -0.540 -0.722 1.156) 1.466 11.313 ( -1.157 3.097 -0.923) 3.433 11.413 ( 0.468 -5.546 -4.553) 7.191 12.141 ( -2.412 0.667 1.551) 2.944 12.160 ( -2.306 -1.102 0.651) 2.637 12.458 ( 0.995 1.862 0.176) 2.119 12.501 ( 0.209 -2.139 -1.107) 2.417 12.812 ( -0.872 1.139 4.927) 5.131 12.838 ( -1.697 -1.078 3.803) 4.302 13.658 ( 10.563 4.728 8.288) 14.234 13.748 ( 9.353 -3.378 10.139) 14.202 13.909 ( 2.291 0.599 5.358) 5.858 13.938 ( 2.689 -2.776 6.891) 7.900 14.219 ( -0.619 9.752 0.869) 9.810 14.390 ( -1.850 -4.382 -2.152) 5.221 14.522 ( 2.423 6.408 -4.509) 8.201 14.714 ( 1.062 -8.464 -0.598) 8.551 14.853 ( 2.136 5.052 -5.204) 7.561 14.996 ( -1.134 -8.751 -2.318) 9.124 15.430 ( -12.295 9.718 -3.753) 16.115 15.608 ( -8.026 -6.680 -8.812) 13.664 16.435 ( -0.774 1.807 -0.881) 2.154 16.469 ( -1.954 -1.150 -1.369) 2.648 16.722 ( -1.726 5.530 -0.249) 5.798 16.852 ( -2.373 -6.412 -4.556) 8.216 ======================= Grid point 180 (104/108) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 5.100 4.637 -0.382) 6.903 1.068 ( 1.593 -0.846 -4.218) 4.588 1.167 ( 1.793 -2.576 -1.241) 3.375 1.185 ( -8.686 -3.375 -3.961) 10.125 1.696 ( 1.290 1.389 -0.986) 2.137 1.719 ( -3.310 -0.589 -2.564) 4.228 1.836 ( 0.518 6.430 3.992) 7.586 1.922 ( -3.590 0.150 -3.811) 5.238 2.038 ( 1.584 -2.034 0.294) 2.595 2.083 ( 4.688 -4.165 -4.027) 7.453 2.515 ( -3.519 1.040 4.102) 5.504 2.532 ( -3.023 -0.733 3.837) 4.940 2.629 ( 1.516 2.066 3.019) 3.960 2.647 ( 0.637 0.773 1.219) 1.578 2.735 ( 2.065 0.800 -3.597) 4.224 2.765 ( 5.960 -2.217 -6.003) 8.745 2.892 ( 0.973 -0.064 2.531) 2.713 2.901 ( -0.263 -0.335 1.469) 1.529 2.971 ( -1.221 0.868 -4.170) 4.431 3.007 ( -2.106 -2.248 -5.613) 6.403 3.216 ( -2.135 0.933 1.730) 2.902 3.249 ( 1.437 -1.990 -1.576) 2.917 3.696 ( -0.495 1.636 1.008) 1.984 3.703 ( -2.362 0.792 0.370) 2.518 4.006 ( -2.719 0.703 2.091) 3.502 4.038 ( -0.893 -2.129 -0.297) 2.328 4.329 ( 0.217 1.080 -1.726) 2.047 4.389 ( 0.815 -4.475 -7.124) 8.453 4.757 ( -0.295 3.850 5.212) 6.486 4.820 ( 1.221 -2.084 1.986) 3.127 4.865 ( 1.713 1.780 -1.921) 3.130 4.904 ( 0.632 -1.897 -3.228) 3.797 5.372 ( -2.126 0.277 3.735) 4.307 5.381 ( 0.159 -0.495 3.146) 3.189 5.551 ( 1.868 2.035 1.204) 3.013 5.568 ( 0.592 0.601 -0.203) 0.868 5.912 ( 1.289 2.553 3.057) 4.186 5.954 ( 2.492 -0.579 -0.188) 2.566 6.081 ( -0.211 -0.317 -0.380) 0.538 6.127 ( -3.876 -3.802 -3.699) 6.570 6.368 ( -0.170 1.178 1.275) 1.744 6.390 ( 1.360 -0.782 -0.936) 1.827 6.633 ( -0.662 1.520 0.897) 1.885 6.650 ( 2.845 0.341 -0.525) 2.913 6.720 ( -1.517 -0.155 0.021) 1.525 6.735 ( 0.924 -1.189 -1.344) 2.018 7.039 ( -2.956 1.751 1.823) 3.889 7.077 ( -0.001 1.032 -1.681) 1.973 7.116 ( -3.205 -2.306 2.047) 4.447 7.167 ( 4.052 -3.954 -1.918) 5.978 7.210 ( 0.850 4.414 3.331) 5.595 7.273 ( 1.872 -1.028 -2.499) 3.287 7.520 ( 0.155 0.365 -1.163) 1.229 7.547 ( -4.208 -1.807 -3.289) 5.639 8.023 ( -1.365 3.745 1.728) 4.345 8.047 ( -0.198 1.900 -0.587) 1.998 8.599 ( 3.526 -2.272 4.175) 5.917 8.612 ( 3.699 -3.539 2.626) 5.754 8.737 ( -1.788 0.847 -1.207) 2.317 8.771 ( -3.147 -2.365 -3.891) 5.535 9.144 ( -0.163 0.803 3.247) 3.349 9.164 ( 0.927 -1.056 1.738) 2.235 9.306 ( -1.230 -0.162 -0.225) 1.261 9.308 ( -0.757 -0.267 -0.889) 1.197 9.837 ( -1.564 3.861 0.722) 4.228 9.867 ( 0.324 3.766 -2.018) 4.285 9.913 ( -0.988 -1.419 0.557) 1.816 9.951 ( 1.228 -2.305 -3.047) 4.013 10.488 ( -0.576 -0.066 1.321) 1.443 10.495 ( 0.885 -0.603 0.639) 1.247 11.252 ( -2.168 1.230 1.695) 3.015 11.280 ( -0.099 -0.425 0.522) 0.681 11.305 ( 1.835 1.359 -0.183) 2.291 11.361 ( 0.102 -2.940 -4.178) 5.110 12.134 ( -0.505 0.536 1.154) 1.368 12.149 ( 0.783 -0.896 -0.333) 1.236 12.474 ( 0.751 0.569 0.217) 0.967 12.488 ( -0.206 -0.674 -1.157) 1.355 12.842 ( -0.904 0.526 2.722) 2.916 12.852 ( -0.217 -0.380 1.642) 1.699 13.893 ( 3.414 3.587 4.857) 6.936 13.899 ( 2.462 2.648 3.660) 5.145 14.001 ( 2.238 2.008 5.214) 6.019 14.056 ( 0.171 -0.215 0.813) 0.858 14.250 ( -0.226 4.984 7.711) 9.184 14.394 ( 0.462 -4.489 -1.334) 4.706 14.491 ( 2.982 0.255 1.044) 3.170 14.623 ( -6.989 -9.479 -5.374) 12.945 14.816 ( -3.329 3.163 1.381) 4.795 14.889 ( -7.406 -3.519 -4.544) 9.375 15.359 ( 7.041 4.800 -1.402) 8.635 15.444 ( 2.655 -3.094 -10.400) 11.170 16.426 ( -0.245 1.133 0.391) 1.223 16.438 ( -0.495 0.146 -0.672) 0.848 16.714 ( -0.382 2.201 1.874) 2.916 16.774 ( -0.867 -3.362 -3.961) 5.267 ======================= Grid point 181 (105/108) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -13.114 2.359 -1.097) 13.370 0.927 ( -10.095 -4.275 -0.224) 10.965 1.147 ( -2.281 4.017 0.214) 4.625 1.240 ( -1.158 -4.356 5.792) 7.339 1.682 ( -0.042 3.151 -1.333) 3.422 1.750 ( 1.983 -3.084 2.015) 4.184 1.825 ( 1.632 6.667 1.928) 7.130 1.953 ( 4.636 -3.422 3.818) 6.912 2.048 ( 2.926 0.700 -3.617) 4.705 2.118 ( 4.952 -4.450 -4.000) 7.767 2.521 ( -1.300 0.537 2.088) 2.517 2.527 ( -2.865 -0.020 1.271) 3.134 2.663 ( 1.692 2.338 0.184) 2.892 2.673 ( 1.308 1.442 -0.129) 1.952 2.732 ( 4.278 2.356 -3.929) 6.267 2.786 ( 3.132 -3.101 -5.752) 7.246 2.916 ( 1.790 1.291 -2.501) 3.335 2.946 ( 3.651 -1.182 -1.694) 4.195 2.959 ( 1.340 0.852 4.019) 4.321 2.997 ( 3.676 -2.207 5.436) 6.923 3.211 ( -0.958 1.493 1.885) 2.588 3.264 ( 2.375 -3.585 -0.666) 4.351 3.725 ( 3.547 2.732 1.530) 4.731 3.757 ( 5.297 -0.217 2.555) 5.885 4.030 ( 1.304 0.503 3.495) 3.765 4.058 ( 3.086 -1.890 1.071) 3.774 4.338 ( 0.924 -0.624 0.233) 1.139 4.365 ( 2.470 -3.038 -0.246) 3.923 4.753 ( -4.153 2.128 -0.491) 4.692 4.774 ( -3.702 0.218 -1.818) 4.130 4.873 ( 1.349 1.691 -2.692) 3.453 4.919 ( 2.698 -2.321 -0.172) 3.564 5.325 ( -7.046 2.493 1.130) 7.559 5.383 ( -3.375 -2.868 0.405) 4.448 5.539 ( -1.796 2.556 -2.661) 4.104 5.568 ( -0.108 0.030 -1.208) 1.213 5.851 ( -8.350 1.858 -1.247) 8.644 5.900 ( -6.923 -2.060 -3.754) 8.140 6.037 ( -3.532 3.133 2.487) 5.336 6.134 ( -0.037 -5.458 3.100) 6.277 6.350 ( -2.846 2.031 -0.159) 3.500 6.385 ( -1.260 -1.070 -1.200) 2.043 6.580 ( -3.976 1.814 -1.623) 4.661 6.622 ( -2.639 -2.001 -1.774) 3.757 6.660 ( -4.246 3.019 0.694) 5.256 6.743 ( -1.741 -4.247 0.767) 4.654 7.050 ( 2.473 2.371 1.500) 3.740 7.082 ( -1.349 -0.044 0.964) 1.659 7.150 ( -0.343 1.414 -0.455) 1.524 7.198 ( 2.932 -0.410 1.770) 3.449 7.238 ( 1.665 0.099 -4.326) 4.637 7.292 ( 9.283 -4.074 -1.287) 10.219 7.512 ( 2.269 4.218 3.001) 5.652 7.600 ( 4.910 -3.580 3.547) 7.036 7.998 ( -1.236 7.683 0.900) 7.834 8.117 ( 5.513 -2.460 1.652) 6.259 8.539 ( -5.820 -0.820 -3.462) 6.821 8.595 ( -3.817 -5.144 -5.208) 8.256 8.780 ( 4.394 0.823 1.909) 4.861 8.807 ( 4.174 -1.658 2.749) 5.266 9.176 ( 1.432 0.412 -0.766) 1.676 9.187 ( 2.277 -0.727 -2.656) 3.574 9.299 ( 0.145 0.051 2.654) 2.658 9.305 ( -0.029 -0.633 2.102) 2.196 9.803 ( -4.010 3.711 1.631) 5.702 9.864 ( -1.698 -0.508 0.627) 1.880 9.882 ( -1.985 2.396 0.665) 3.182 9.943 ( 0.162 -1.705 -0.701) 1.850 10.459 ( -4.027 0.713 -0.124) 4.092 10.480 ( -2.671 -1.167 -0.657) 2.988 11.222 ( -3.528 2.024 1.140) 4.224 11.273 ( -1.903 -1.870 0.673) 2.752 11.331 ( 2.688 0.337 -1.440) 3.068 11.355 ( 1.833 -1.791 0.474) 2.606 12.153 ( 1.802 0.799 0.278) 1.991 12.176 ( 3.456 -1.338 -0.879) 3.809 12.470 ( -0.398 0.726 -1.039) 1.329 12.486 ( 0.398 -0.834 0.348) 0.987 12.854 ( 0.066 0.992 0.669) 1.198 12.872 ( 1.111 -0.537 0.280) 1.265 13.807 ( -10.158 6.880 -5.391) 13.401 13.910 ( -3.557 -1.461 -5.039) 6.339 13.993 ( -3.207 2.366 -2.284) 4.593 14.053 ( -1.842 -2.339 -2.748) 4.051 14.279 ( -2.668 3.393 -2.916) 5.209 14.361 ( -0.614 -1.078 1.753) 2.147 14.449 ( -4.197 1.820 -1.466) 4.804 14.642 ( -1.227 -10.509 6.274) 12.300 14.752 ( -5.511 3.417 4.360) 7.814 14.841 ( -1.438 -5.851 11.384) 12.880 15.457 ( 13.857 6.017 -7.041) 16.667 15.544 ( 16.779 -2.053 -2.543) 17.094 16.423 ( -0.261 1.852 0.456) 1.925 16.448 ( 1.362 -0.303 0.753) 1.585 16.737 ( 0.744 0.321 -1.291) 1.524 16.761 ( 1.699 -1.738 3.735) 4.456 ======================= Grid point 182 (106/108) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.632 5.508 11.227) 12.612 0.922 ( 1.282 -7.929 12.136) 14.554 1.079 ( -6.654 8.527 3.640) 11.412 1.244 ( -9.649 -5.173 11.288) 15.725 1.658 ( 1.915 2.839 -2.820) 4.436 1.773 ( -0.720 -6.666 1.088) 6.792 1.972 ( 7.827 6.411 4.349) 11.012 2.027 ( 1.788 0.782 -4.182) 4.615 2.099 ( 5.901 -0.935 -1.920) 6.276 2.151 ( 7.041 -5.350 -0.646) 8.866 2.438 ( -3.400 3.578 -6.571) 8.218 2.501 ( -1.547 -1.484 -2.522) 3.310 2.627 ( -6.262 2.850 2.337) 7.266 2.695 ( 0.371 -1.018 -0.365) 1.143 2.783 ( 3.830 0.887 1.442) 4.188 2.822 ( 8.670 -0.163 0.130) 8.672 2.966 ( 3.569 1.657 1.573) 4.238 3.011 ( 5.966 -1.506 -1.189) 6.267 3.068 ( 5.084 3.224 5.498) 8.153 3.133 ( 5.111 -2.521 5.070) 7.628 3.236 ( 1.325 1.215 1.926) 2.635 3.309 ( 3.958 -5.515 0.279) 6.794 3.826 ( 6.822 3.516 1.222) 7.771 3.891 ( 7.731 -2.511 1.964) 8.363 4.112 ( 4.399 1.451 2.192) 5.124 4.150 ( 5.991 -1.730 1.624) 6.444 4.357 ( -0.598 1.161 1.556) 2.031 4.411 ( -1.632 -3.694 3.971) 5.663 4.664 ( -1.200 2.855 -4.312) 5.309 4.711 ( -1.411 -1.400 -1.417) 2.441 4.851 ( -0.684 4.131 -1.825) 4.568 4.941 ( 0.223 -4.178 -0.045) 4.184 5.192 ( -9.768 4.371 -0.838) 10.734 5.287 ( -7.406 -4.326 -2.064) 8.822 5.454 ( -4.029 3.579 -3.467) 6.408 5.515 ( -3.117 -1.781 -3.903) 5.303 5.692 ( -11.928 0.253 0.833) 11.960 5.720 ( -10.787 -2.071 -2.437) 11.251 5.992 ( -7.194 4.714 2.714) 9.019 6.101 ( -8.032 -5.548 1.677) 9.905 6.284 ( -3.632 2.648 -1.894) 4.877 6.328 ( -1.802 -1.196 -2.279) 3.143 6.512 ( -1.858 1.580 -3.385) 4.172 6.559 ( -1.959 -3.043 -3.251) 4.865 6.631 ( -0.772 3.544 2.042) 4.163 6.720 ( -2.637 -4.926 2.244) 6.021 7.019 ( -2.646 4.872 -3.763) 6.700 7.106 ( -2.126 -2.590 -4.913) 5.947 7.126 ( 1.092 1.723 1.833) 2.742 7.160 ( 0.296 -2.130 3.333) 3.966 7.398 ( 10.843 0.643 1.798) 11.010 7.444 ( 10.539 -3.723 -0.214) 11.180 7.624 ( 4.629 5.354 4.797) 8.550 7.715 ( 3.725 -2.980 4.163) 6.331 8.002 ( 0.169 11.102 -0.169) 11.105 8.238 ( 5.640 -9.093 2.810) 11.063 8.416 ( -3.972 -0.205 -3.334) 5.190 8.482 ( -0.789 -4.664 -4.948) 6.845 8.803 ( -2.535 2.641 -2.305) 4.326 8.856 ( -0.896 -2.192 -0.710) 2.473 9.175 ( 2.465 0.449 -1.566) 2.954 9.189 ( 2.582 -0.810 -1.191) 2.957 9.369 ( 4.531 0.545 2.026) 4.993 9.392 ( 5.237 -1.284 4.171) 6.816 9.761 ( -4.656 2.666 2.716) 6.013 9.806 ( -6.092 -1.595 2.153) 6.655 9.895 ( 0.239 3.198 1.469) 3.527 9.931 ( -1.535 -0.421 0.511) 1.672 10.366 ( -6.815 1.664 -1.449) 7.164 10.403 ( -5.297 -1.648 -1.916) 5.869 11.181 ( -3.606 3.090 1.710) 5.047 11.257 ( -1.642 -3.078 1.441) 3.774 11.361 ( 2.982 0.171 -1.323) 3.267 11.386 ( 0.335 -2.885 1.397) 3.223 12.193 ( 3.496 0.984 -0.473) 3.663 12.228 ( 4.786 -2.031 -1.502) 5.412 12.453 ( -0.158 1.869 -0.958) 2.106 12.495 ( 0.171 -2.043 0.356) 2.081 12.852 ( 0.401 1.815 -2.538) 3.146 12.884 ( 1.074 -0.984 -1.766) 2.289 13.540 ( -12.281 4.759 -6.468) 14.673 13.657 ( -13.725 -6.164 -10.882) 18.569 13.906 ( -2.760 2.641 -3.872) 5.439 13.952 ( -2.317 -2.251 -5.811) 6.649 14.216 ( -1.500 6.919 -1.614) 7.261 14.367 ( -1.717 -6.436 4.644) 8.120 14.434 ( -4.330 8.718 4.466) 10.709 14.584 ( -9.214 -4.258 3.991) 10.907 14.794 ( -0.049 5.881 5.050) 7.752 14.999 ( 3.723 -13.430 7.775) 15.959 15.672 ( 18.752 8.212 -1.123) 20.502 15.789 ( 17.142 -2.757 -1.298) 17.411 16.438 ( 0.901 3.076 1.380) 3.490 16.493 ( 2.833 -1.727 1.690) 3.723 16.754 ( 2.317 3.789 -0.077) 4.442 16.856 ( 3.219 -5.361 5.229) 8.151 ======================= Grid point 183 (107/108) ======================= q-point: (-0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -2.270 9.119 12.474) 15.618 1.087 ( 2.985 10.717 14.910) 18.603 1.164 ( 2.680 -6.911 14.183) 16.003 1.314 ( 3.421 -9.465 15.084) 18.134 1.680 ( 3.772 0.685 -1.562) 4.140 1.790 ( 1.879 -8.289 1.560) 8.641 1.968 ( -1.269 3.798 -4.078) 5.716 2.034 ( 1.477 -1.757 -6.276) 6.682 2.189 ( 5.545 4.640 2.936) 7.804 2.226 ( 4.509 1.890 -8.926) 10.177 2.365 ( 0.985 -0.200 0.704) 1.227 2.420 ( -1.157 -4.035 -3.881) 5.717 2.600 ( -4.604 6.097 6.960) 10.335 2.707 ( -1.606 -2.638 4.829) 5.732 2.890 ( 5.570 3.041 2.648) 6.876 2.953 ( 8.070 0.142 -1.602) 8.228 3.025 ( -0.302 -0.299 4.162) 4.184 3.079 ( 2.949 -2.749 0.475) 4.060 3.204 ( 2.829 3.165 3.149) 5.286 3.244 ( 3.887 -0.636 2.767) 4.813 3.307 ( 7.279 1.935 0.453) 7.545 3.413 ( 8.423 -5.746 1.374) 10.288 3.947 ( 7.603 3.201 -0.017) 8.250 4.017 ( 6.276 -3.387 0.070) 7.132 4.197 ( 4.078 2.449 0.579) 4.792 4.244 ( 2.665 -1.304 1.083) 3.159 4.332 ( -3.589 0.870 -0.335) 3.708 4.371 ( -5.154 -3.001 -0.385) 5.976 4.658 ( 3.293 2.639 -0.318) 4.232 4.711 ( 1.339 -1.765 0.008) 2.215 4.815 ( -2.268 4.070 -0.416) 4.678 4.904 ( -5.524 -3.532 -1.097) 6.648 5.046 ( -7.144 3.031 0.623) 7.785 5.134 ( -8.930 -4.466 -1.392) 10.081 5.358 ( -3.420 3.346 -2.434) 5.368 5.387 ( -6.085 -0.160 -4.066) 7.320 5.488 ( -14.707 -0.190 -0.447) 14.715 5.527 ( -11.307 -2.694 -0.359) 11.628 5.902 ( -6.953 3.078 1.758) 7.804 5.976 ( -8.210 -3.850 0.939) 9.117 6.214 ( -1.398 3.192 -4.152) 5.421 6.279 ( -0.858 -2.519 -4.009) 4.812 6.447 ( -0.937 1.747 -2.732) 3.376 6.489 ( -1.976 -2.329 -2.749) 4.110 6.663 ( 1.064 2.081 1.842) 2.976 6.722 ( -0.642 -3.593 1.974) 4.150 6.938 ( -2.993 3.848 -2.472) 5.466 6.997 ( -3.641 -1.514 -4.202) 5.763 7.174 ( 2.319 2.100 0.915) 3.260 7.227 ( 2.715 -2.896 2.626) 4.759 7.540 ( 5.744 0.711 0.218) 5.792 7.578 ( 6.741 -3.152 0.043) 7.442 7.743 ( 3.824 4.459 3.842) 7.019 7.811 ( 2.739 -1.544 3.394) 4.626 7.964 ( -2.408 9.767 -3.132) 10.536 8.205 ( -6.064 -11.629 -5.782) 14.333 8.466 ( 8.482 1.131 3.295) 9.169 8.515 ( 6.666 -3.071 2.377) 7.715 8.683 ( -6.253 2.994 -3.482) 7.757 8.758 ( -5.735 -3.692 -5.176) 8.562 9.241 ( 4.960 0.760 1.976) 5.393 9.256 ( 4.335 -0.401 2.621) 5.082 9.454 ( 4.131 2.316 -0.269) 4.744 9.511 ( 4.372 -2.846 1.963) 5.574 9.730 ( -3.490 1.356 3.064) 4.838 9.747 ( -4.874 -0.398 2.864) 5.667 9.905 ( -2.220 0.984 0.261) 2.443 9.907 ( -0.562 1.129 0.093) 1.264 10.222 ( -8.740 2.712 -2.542) 9.497 10.277 ( -6.982 -2.210 -3.362) 8.058 11.156 ( -2.908 3.440 2.452) 5.129 11.245 ( -3.015 -4.464 1.868) 5.702 11.386 ( 2.305 -0.444 -1.554) 2.815 11.394 ( -0.623 -1.733 0.489) 1.906 12.245 ( 4.112 0.768 -0.687) 4.239 12.283 ( 4.825 -2.544 -1.753) 5.729 12.443 ( 0.337 2.362 -1.011) 2.592 12.498 ( 0.173 -2.768 -0.305) 2.790 12.790 ( -1.653 2.894 -5.962) 6.830 12.843 ( -1.484 -1.725 -4.962) 5.459 13.364 ( -5.302 1.701 1.598) 5.793 13.412 ( -6.700 -2.829 0.569) 7.295 13.831 ( -1.299 1.973 -3.297) 4.055 13.859 ( -1.495 -1.056 -4.667) 5.013 14.190 ( -2.354 9.784 1.164) 10.130 14.379 ( -5.052 -2.828 4.373) 7.256 14.391 ( -6.790 3.355 1.485) 7.718 14.525 ( -2.726 -4.272 5.282) 7.319 14.820 ( -0.994 8.828 0.003) 8.884 15.098 ( 2.854 -16.146 0.269) 16.399 15.947 ( 15.456 5.337 0.951) 16.380 16.013 ( 12.133 -0.641 -0.036) 12.149 16.488 ( 2.589 4.651 2.785) 6.007 16.583 ( 5.480 -3.665 3.145) 7.304 16.793 ( 2.167 6.840 0.024) 7.176 16.963 ( 3.323 -8.546 3.497) 9.814 ======================= Grid point 184 (108/108) ======================= q-point: (-0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -2.890 8.577 8.990) 12.756 1.221 ( -3.978 -6.382 8.970) 11.706 1.456 ( 6.241 3.846 14.961) 16.660 1.565 ( 8.677 -4.979 3.080) 10.467 1.747 ( 4.003 1.706 2.285) 4.915 1.853 ( -0.112 -8.532 4.822) 9.801 1.923 ( 0.155 3.230 -0.098) 3.235 1.972 ( 0.662 -1.486 -5.684) 5.912 2.197 ( 6.265 2.991 -4.868) 8.479 2.251 ( 1.959 -1.180 -0.614) 2.368 2.397 ( 4.173 2.728 1.195) 5.127 2.445 ( 2.342 -0.685 -0.104) 2.443 2.620 ( -4.591 7.787 8.299) 12.271 2.762 ( -1.115 -3.403 8.267) 9.009 2.988 ( 3.020 1.424 1.594) 3.700 3.004 ( 1.866 2.480 -1.647) 3.513 3.056 ( -0.211 -1.913 0.800) 2.084 3.100 ( -2.657 -4.369 2.518) 5.700 3.254 ( 3.196 2.607 0.490) 4.153 3.306 ( 2.111 -1.613 0.292) 2.672 3.473 ( 12.742 4.397 -0.199) 13.480 3.573 ( 10.557 -4.240 0.296) 11.381 4.022 ( -6.567 0.523 -4.486) 7.970 4.038 ( 4.029 -0.543 -3.054) 5.085 4.190 ( -6.896 0.201 0.719) 6.936 4.196 ( -8.196 -0.581 2.423) 8.567 4.306 ( 8.265 1.258 -3.969) 9.255 4.355 ( 4.107 -2.953 -2.600) 5.688 4.676 ( -5.861 3.487 2.544) 7.279 4.720 ( 0.171 1.281 0.427) 1.362 4.770 ( -7.076 -2.454 0.788) 7.531 4.783 ( -2.576 -2.131 -0.675) 3.411 4.986 ( -2.818 0.586 1.467) 3.231 5.022 ( -4.034 -2.278 1.631) 4.911 5.251 ( -5.559 4.575 -4.622) 8.556 5.291 ( -6.648 1.729 -0.237) 6.873 5.343 ( 0.442 -0.767 0.357) 0.955 5.386 ( -5.178 -3.757 0.206) 6.401 5.837 ( -3.572 1.944 1.481) 4.329 5.895 ( -3.366 -3.466 0.252) 4.838 6.132 ( -2.262 2.568 -4.535) 5.682 6.192 ( -2.949 -2.799 -5.314) 6.691 6.433 ( 1.525 1.131 -1.225) 2.259 6.452 ( 0.398 -0.793 -1.419) 1.674 6.699 ( 0.736 1.373 1.874) 2.437 6.737 ( 0.204 -2.329 0.998) 2.542 6.869 ( -3.114 2.627 -1.189) 4.244 6.904 ( -2.425 -0.635 -3.303) 4.147 7.214 ( 2.114 2.823 -0.190) 3.532 7.276 ( 0.915 -2.730 -0.082) 2.881 7.608 ( 3.186 2.001 1.316) 3.986 7.666 ( 4.640 -3.680 0.930) 5.995 7.805 ( -0.059 5.767 -0.419) 5.783 7.856 ( 0.038 0.985 1.079) 1.461 7.907 ( -1.319 1.432 0.553) 2.024 8.039 ( -5.813 -7.736 -5.196) 10.983 8.530 ( -2.300 4.477 -3.178) 5.953 8.593 ( -4.160 -0.269 -3.378) 5.366 8.677 ( 5.920 -3.192 3.867) 7.758 8.701 ( 7.705 -4.926 3.307) 9.725 9.350 ( 4.291 0.758 3.433) 5.547 9.355 ( 2.230 0.167 4.327) 4.870 9.490 ( 0.633 3.503 1.960) 4.064 9.566 ( 0.804 -3.524 2.254) 4.259 9.724 ( 0.120 0.824 0.098) 0.838 9.736 ( 0.868 -0.275 -0.203) 0.933 9.867 ( -1.750 1.506 -1.161) 2.584 9.882 ( -1.534 0.301 -1.620) 2.251 10.048 ( -9.089 2.882 -2.853) 9.952 10.108 ( -8.450 -2.304 -5.095) 10.132 11.147 ( -1.526 2.112 2.071) 3.328 11.203 ( -4.156 -3.126 1.217) 5.341 11.385 ( -0.104 0.302 -0.306) 0.442 11.398 ( 1.445 -0.850 -1.561) 2.291 12.302 ( 3.640 0.610 -0.085) 3.692 12.336 ( 4.172 -2.343 -1.074) 4.904 12.434 ( 0.048 1.839 -1.227) 2.211 12.487 ( -0.275 -2.864 -1.695) 3.339 12.707 ( -1.544 2.473 -2.548) 3.872 12.755 ( -2.306 -1.807 -3.553) 4.605 13.410 ( 3.043 1.816 7.287) 8.103 13.449 ( 2.299 -1.707 7.759) 8.270 13.794 ( 1.081 1.213 -2.835) 3.268 13.810 ( 0.443 -0.230 -1.380) 1.467 14.122 ( -6.574 8.384 -2.210) 10.881 14.250 ( -7.870 -2.357 -4.259) 9.254 14.381 ( -1.491 9.010 5.981) 10.917 14.607 ( 0.161 -8.585 9.464) 12.779 14.767 ( -2.508 9.354 -3.522) 10.305 15.094 ( 1.179 -18.005 -6.022) 19.022 16.134 ( 7.807 2.271 0.058) 8.131 16.148 ( 5.499 1.127 0.108) 5.614 16.581 ( 3.794 6.884 4.154) 8.891 16.727 ( 6.686 -6.540 4.007) 10.175 16.807 ( 0.234 9.395 -0.699) 9.424 17.015 ( 0.240 -9.927 -0.039) 9.930 =================== 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 3/33600 10.0 66.493 61.899 93.002 0.000 -1.109 0.000 3/33600 20.0 14.517 12.168 22.735 0.000 -0.369 0.000 3/33600 30.0 6.946 5.558 10.627 0.000 -0.210 0.000 3/33600 40.0 4.481 3.466 6.616 0.000 -0.138 0.000 3/33600 50.0 3.325 2.494 4.737 0.000 -0.102 0.000 3/33600 60.0 2.661 1.942 3.671 0.000 -0.079 0.000 3/33600 70.0 2.231 1.590 2.993 0.000 -0.064 0.000 3/33600 80.0 1.929 1.347 2.527 0.000 -0.053 0.000 3/33600 90.0 1.705 1.171 2.189 0.000 -0.044 0.000 3/33600 100.0 1.532 1.038 1.934 0.000 -0.037 0.000 3/33600 110.0 1.396 0.934 1.736 0.000 -0.032 0.000 3/33600 120.0 1.284 0.852 1.577 0.000 -0.027 0.000 3/33600 130.0 1.192 0.784 1.448 0.000 -0.023 0.000 3/33600 140.0 1.113 0.728 1.340 0.000 -0.020 0.000 3/33600 150.0 1.046 0.680 1.249 0.000 -0.018 0.000 3/33600 160.0 0.988 0.639 1.171 0.000 -0.016 0.000 3/33600 170.0 0.937 0.604 1.103 0.000 -0.014 0.000 3/33600 180.0 0.892 0.573 1.044 0.000 -0.012 0.000 3/33600 190.0 0.851 0.545 0.991 0.000 -0.011 0.000 3/33600 200.0 0.814 0.520 0.944 0.000 -0.010 0.000 3/33600 210.0 0.781 0.498 0.902 0.000 -0.009 0.000 3/33600 220.0 0.750 0.478 0.864 0.000 -0.008 0.000 3/33600 230.0 0.722 0.459 0.829 0.000 -0.008 0.000 3/33600 240.0 0.696 0.442 0.796 0.000 -0.007 0.000 3/33600 250.0 0.672 0.426 0.767 0.000 -0.006 0.000 3/33600 260.0 0.649 0.412 0.740 0.000 -0.006 0.000 3/33600 270.0 0.628 0.398 0.714 0.000 -0.006 0.000 3/33600 280.0 0.609 0.386 0.690 0.000 -0.005 0.000 3/33600 290.0 0.590 0.374 0.668 0.000 -0.005 0.000 3/33600 300.0 0.573 0.363 0.648 0.000 -0.005 0.000 3/33600 310.0 0.556 0.352 0.628 0.000 -0.005 0.000 3/33600 320.0 0.541 0.342 0.610 0.000 -0.004 0.000 3/33600 330.0 0.526 0.333 0.593 0.000 -0.004 0.000 3/33600 340.0 0.512 0.324 0.576 0.000 -0.004 0.000 3/33600 350.0 0.499 0.315 0.561 0.000 -0.004 0.000 3/33600 360.0 0.487 0.308 0.546 0.000 -0.004 0.000 3/33600 370.0 0.475 0.300 0.533 0.000 -0.003 0.000 3/33600 380.0 0.463 0.293 0.519 0.000 -0.003 0.000 3/33600 390.0 0.453 0.286 0.507 0.000 -0.003 0.000 3/33600 400.0 0.442 0.279 0.495 0.000 -0.003 0.000 3/33600 410.0 0.432 0.273 0.484 0.000 -0.003 0.000 3/33600 420.0 0.423 0.267 0.473 0.000 -0.003 0.000 3/33600 430.0 0.414 0.261 0.462 0.000 -0.003 0.000 3/33600 440.0 0.405 0.256 0.452 0.000 -0.003 0.000 3/33600 450.0 0.397 0.250 0.443 0.000 -0.003 0.000 3/33600 460.0 0.389 0.245 0.434 0.000 -0.003 0.000 3/33600 470.0 0.381 0.240 0.425 0.000 -0.003 0.000 3/33600 480.0 0.374 0.236 0.416 0.000 -0.002 0.000 3/33600 490.0 0.366 0.231 0.408 0.000 -0.002 0.000 3/33600 500.0 0.359 0.227 0.400 0.000 -0.002 0.000 3/33600 510.0 0.353 0.223 0.393 0.000 -0.002 0.000 3/33600 520.0 0.346 0.219 0.386 0.000 -0.002 0.000 3/33600 530.0 0.340 0.215 0.379 0.000 -0.002 0.000 3/33600 540.0 0.334 0.211 0.372 0.000 -0.002 0.000 3/33600 550.0 0.329 0.207 0.365 0.000 -0.002 0.000 3/33600 560.0 0.323 0.204 0.359 0.000 -0.002 0.000 3/33600 570.0 0.318 0.200 0.353 0.000 -0.002 0.000 3/33600 580.0 0.312 0.197 0.347 0.000 -0.002 0.000 3/33600 590.0 0.307 0.194 0.341 0.000 -0.002 0.000 3/33600 600.0 0.302 0.191 0.336 0.000 -0.002 0.000 3/33600 610.0 0.298 0.188 0.330 0.000 -0.002 0.000 3/33600 620.0 0.293 0.185 0.325 0.000 -0.002 0.000 3/33600 630.0 0.289 0.182 0.320 0.000 -0.002 0.000 3/33600 640.0 0.284 0.179 0.315 0.000 -0.002 0.000 3/33600 650.0 0.280 0.177 0.311 0.000 -0.002 0.000 3/33600 660.0 0.276 0.174 0.306 0.000 -0.002 0.000 3/33600 670.0 0.272 0.172 0.302 0.000 -0.002 0.000 3/33600 680.0 0.268 0.169 0.297 0.000 -0.002 0.000 3/33600 690.0 0.264 0.167 0.293 0.000 -0.002 0.000 3/33600 700.0 0.261 0.164 0.289 0.000 -0.002 0.000 3/33600 710.0 0.257 0.162 0.285 0.000 -0.002 0.000 3/33600 720.0 0.254 0.160 0.281 0.000 -0.002 0.000 3/33600 730.0 0.250 0.158 0.277 0.000 -0.002 0.000 3/33600 740.0 0.247 0.156 0.274 0.000 -0.001 0.000 3/33600 750.0 0.244 0.154 0.270 0.000 -0.001 0.000 3/33600 760.0 0.241 0.152 0.267 0.000 -0.001 0.000 3/33600 770.0 0.238 0.150 0.263 0.000 -0.001 0.000 3/33600 780.0 0.235 0.148 0.260 0.000 -0.001 0.000 3/33600 790.0 0.232 0.146 0.257 0.000 -0.001 0.000 3/33600 800.0 0.229 0.144 0.254 0.000 -0.001 0.000 3/33600 810.0 0.226 0.143 0.251 0.000 -0.001 0.000 3/33600 820.0 0.224 0.141 0.248 0.000 -0.001 0.000 3/33600 830.0 0.221 0.139 0.245 0.000 -0.001 0.000 3/33600 840.0 0.218 0.138 0.242 0.000 -0.001 0.000 3/33600 850.0 0.216 0.136 0.239 0.000 -0.001 0.000 3/33600 860.0 0.214 0.135 0.236 0.000 -0.001 0.000 3/33600 870.0 0.211 0.133 0.234 0.000 -0.001 0.000 3/33600 880.0 0.209 0.132 0.231 0.000 -0.001 0.000 3/33600 890.0 0.206 0.130 0.228 0.000 -0.001 0.000 3/33600 900.0 0.204 0.129 0.226 0.000 -0.001 0.000 3/33600 910.0 0.202 0.127 0.224 0.000 -0.001 0.000 3/33600 920.0 0.200 0.126 0.221 0.000 -0.001 0.000 3/33600 930.0 0.198 0.125 0.219 0.000 -0.001 0.000 3/33600 940.0 0.196 0.123 0.217 0.000 -0.001 0.000 3/33600 950.0 0.194 0.122 0.214 0.000 -0.001 0.000 3/33600 960.0 0.192 0.121 0.212 0.000 -0.001 0.000 3/33600 970.0 0.190 0.120 0.210 0.000 -0.001 0.000 3/33600 980.0 0.188 0.118 0.208 0.000 -0.001 0.000 3/33600 990.0 0.186 0.117 0.206 0.000 -0.001 0.000 3/33600 1000.0 0.184 0.116 0.204 0.000 -0.001 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m1057.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:01:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|