----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:33:19]------------------------- 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 6.838799174740159 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -6.821667218473480 0.000000000000000 9.863396676079528 Atomic positions (fractional): *1 As 0.07395675205324 0.49417952947139 0.18584262845632 74.922 2 As 0.92604324794676 0.99417952947139 0.31415737154368 74.922 3 As 0.92604324794676 0.50582047052861 0.81415737154368 74.922 4 As 0.07395675205324 0.00582047052861 0.68584262845632 74.922 *5 As 0.23886855570729 0.64075708863672 0.13648631963361 74.922 6 As 0.76113144429271 0.14075708863672 0.36351368036639 74.922 7 As 0.76113144429271 0.35924291136328 0.86351368036639 74.922 8 As 0.23886855570729 0.85924291136328 0.63648631963361 74.922 *9 As 0.26639128627492 0.43948444599958 0.82668452061785 74.922 10 As 0.73360871372507 0.93948444599958 0.67331547938215 74.922 11 As 0.73360871372507 0.56051555400042 0.17331547938215 74.922 12 As 0.26639128627492 0.06051555400042 0.32668452061785 74.922 *13 As 0.30661345944095 0.81079771076062 0.98056045842928 74.922 14 As 0.69338654055905 0.31079771076062 0.51943954157072 74.922 15 As 0.69338654055905 0.18920228923938 0.01943954157072 74.922 16 As 0.30661345944095 0.68920228923938 0.48056045842928 74.922 *17 As 0.43185349403882 0.92317162495329 0.87775262540724 74.922 18 As 0.56814650596118 0.42317162495329 0.62224737459276 74.922 19 As 0.56814650596118 0.07682837504671 0.12224737459276 74.922 20 As 0.43185349403882 0.57682837504671 0.37775262540724 74.922 *21 As 0.01002338221456 0.78015668952678 0.13039061523626 74.922 22 As 0.98997661778544 0.28015668952678 0.36960938476374 74.922 23 As 0.98997661778544 0.21984331047322 0.86960938476374 74.922 24 As 0.01002338221456 0.71984331047322 0.63039061523626 74.922 *25 As 0.90443586320226 0.77923252087424 0.78101836170470 74.922 26 As 0.09556413679774 0.27923252087424 0.71898163829530 74.922 27 As 0.09556413679774 0.22076747912576 0.21898163829530 74.922 28 As 0.90443586320226 0.72076747912576 0.28101836170470 74.922 *29 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 30 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 *31 Ba 0.57004280487817 0.84277899272806 0.37055092281551 137.327 32 Ba 0.42995719512183 0.34277899272806 0.12944907718449 137.327 33 Ba 0.42995719512183 0.15722100727194 0.62944907718448 137.327 34 Ba 0.57004280487817 0.65722100727194 0.87055092281552 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.838799174740159 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -6.821667218473480 0.000000000000000 9.863396676079528 Atomic positions (fractional): *1 As 0.07395675205324 0.49417952947139 0.18584262845632 74.922 > 1 2 As 0.92604324794676 0.99417952947139 0.31415737154368 74.922 > 2 3 As 0.92604324794676 0.50582047052861 0.81415737154368 74.922 > 3 4 As 0.07395675205324 0.00582047052861 0.68584262845632 74.922 > 4 *5 As 0.23886855570729 0.64075708863672 0.13648631963361 74.922 > 5 6 As 0.76113144429271 0.14075708863672 0.36351368036639 74.922 > 6 7 As 0.76113144429271 0.35924291136328 0.86351368036639 74.922 > 7 8 As 0.23886855570729 0.85924291136328 0.63648631963361 74.922 > 8 *9 As 0.26639128627492 0.43948444599958 0.82668452061785 74.922 > 9 10 As 0.73360871372507 0.93948444599958 0.67331547938215 74.922 > 10 11 As 0.73360871372507 0.56051555400042 0.17331547938215 74.922 > 11 12 As 0.26639128627492 0.06051555400042 0.32668452061785 74.922 > 12 *13 As 0.30661345944095 0.81079771076062 0.98056045842928 74.922 > 13 14 As 0.69338654055905 0.31079771076062 0.51943954157072 74.922 > 14 15 As 0.69338654055905 0.18920228923938 0.01943954157072 74.922 > 15 16 As 0.30661345944095 0.68920228923938 0.48056045842928 74.922 > 16 *17 As 0.43185349403882 0.92317162495329 0.87775262540724 74.922 > 17 18 As 0.56814650596118 0.42317162495329 0.62224737459276 74.922 > 18 19 As 0.56814650596118 0.07682837504671 0.12224737459276 74.922 > 19 20 As 0.43185349403882 0.57682837504671 0.37775262540724 74.922 > 20 *21 As 0.01002338221456 0.78015668952678 0.13039061523626 74.922 > 21 22 As 0.98997661778544 0.28015668952678 0.36960938476374 74.922 > 22 23 As 0.98997661778544 0.21984331047322 0.86960938476374 74.922 > 23 24 As 0.01002338221456 0.71984331047322 0.63039061523626 74.922 > 24 *25 As 0.90443586320226 0.77923252087424 0.78101836170470 74.922 > 25 26 As 0.09556413679774 0.27923252087424 0.71898163829530 74.922 > 26 27 As 0.09556413679774 0.22076747912576 0.21898163829530 74.922 > 27 28 As 0.90443586320226 0.72076747912576 0.28101836170470 74.922 > 28 *29 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 29 30 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *31 Ba 0.57004280487817 0.84277899272806 0.37055092281551 137.327 > 31 32 Ba 0.42995719512183 0.34277899272806 0.12944907718449 137.327 > 32 33 Ba 0.42995719512183 0.15722100727194 0.62944907718448 137.327 > 33 34 Ba 0.57004280487817 0.65722100727194 0.87055092281552 137.327 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.677598349480318 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -13.643334436946960 0.000000000000000 19.726793352159056 Atomic positions (fractional): *1 As 0.03697837602662 0.49417952947139 0.09292131422816 74.922 > 1 2 As 0.53697837602662 0.49417952947139 0.09292131422816 74.922 > 1 3 As 0.03697837602662 0.49417952947139 0.59292131422816 74.922 > 1 4 As 0.53697837602662 0.49417952947139 0.59292131422816 74.922 > 1 5 As 0.46302162397338 0.99417952947139 0.15707868577184 74.922 > 2 6 As 0.96302162397338 0.99417952947139 0.15707868577184 74.922 > 2 7 As 0.46302162397338 0.99417952947139 0.65707868577184 74.922 > 2 8 As 0.96302162397338 0.99417952947139 0.65707868577184 74.922 > 2 9 As 0.46302162397338 0.50582047052861 0.40707868577184 74.922 > 3 10 As 0.96302162397338 0.50582047052861 0.40707868577184 74.922 > 3 11 As 0.46302162397338 0.50582047052861 0.90707868577184 74.922 > 3 12 As 0.96302162397338 0.50582047052861 0.90707868577184 74.922 > 3 13 As 0.03697837602662 0.00582047052861 0.34292131422816 74.922 > 4 14 As 0.53697837602662 0.00582047052861 0.34292131422816 74.922 > 4 15 As 0.03697837602662 0.00582047052861 0.84292131422816 74.922 > 4 16 As 0.53697837602662 0.00582047052861 0.84292131422816 74.922 > 4 *17 As 0.11943427785364 0.64075708863672 0.06824315981680 74.922 > 5 18 As 0.61943427785364 0.64075708863672 0.06824315981680 74.922 > 5 19 As 0.11943427785364 0.64075708863672 0.56824315981680 74.922 > 5 20 As 0.61943427785364 0.64075708863672 0.56824315981680 74.922 > 5 21 As 0.38056572214636 0.14075708863672 0.18175684018320 74.922 > 6 22 As 0.88056572214636 0.14075708863672 0.18175684018320 74.922 > 6 23 As 0.38056572214636 0.14075708863672 0.68175684018320 74.922 > 6 24 As 0.88056572214636 0.14075708863672 0.68175684018320 74.922 > 6 25 As 0.38056572214636 0.35924291136328 0.43175684018320 74.922 > 7 26 As 0.88056572214636 0.35924291136328 0.43175684018320 74.922 > 7 27 As 0.38056572214636 0.35924291136328 0.93175684018320 74.922 > 7 28 As 0.88056572214636 0.35924291136328 0.93175684018320 74.922 > 7 29 As 0.11943427785364 0.85924291136328 0.31824315981680 74.922 > 8 30 As 0.61943427785364 0.85924291136328 0.31824315981680 74.922 > 8 31 As 0.11943427785364 0.85924291136328 0.81824315981680 74.922 > 8 32 As 0.61943427785364 0.85924291136328 0.81824315981680 74.922 > 8 *33 As 0.13319564313746 0.43948444599958 0.41334226030892 74.922 > 9 34 As 0.63319564313746 0.43948444599958 0.41334226030892 74.922 > 9 35 As 0.13319564313746 0.43948444599958 0.91334226030892 74.922 > 9 36 As 0.63319564313746 0.43948444599958 0.91334226030892 74.922 > 9 37 As 0.36680435686254 0.93948444599958 0.33665773969108 74.922 > 10 38 As 0.86680435686254 0.93948444599958 0.33665773969108 74.922 > 10 39 As 0.36680435686254 0.93948444599958 0.83665773969108 74.922 > 10 40 As 0.86680435686254 0.93948444599958 0.83665773969108 74.922 > 10 41 As 0.36680435686254 0.56051555400042 0.08665773969108 74.922 > 11 42 As 0.86680435686254 0.56051555400042 0.08665773969108 74.922 > 11 43 As 0.36680435686254 0.56051555400042 0.58665773969108 74.922 > 11 44 As 0.86680435686254 0.56051555400042 0.58665773969108 74.922 > 11 45 As 0.13319564313746 0.06051555400042 0.16334226030892 74.922 > 12 46 As 0.63319564313746 0.06051555400042 0.16334226030892 74.922 > 12 47 As 0.13319564313746 0.06051555400042 0.66334226030892 74.922 > 12 48 As 0.63319564313746 0.06051555400042 0.66334226030892 74.922 > 12 *49 As 0.15330672972048 0.81079771076062 0.49028022921464 74.922 > 13 50 As 0.65330672972048 0.81079771076062 0.49028022921464 74.922 > 13 51 As 0.15330672972048 0.81079771076062 0.99028022921464 74.922 > 13 52 As 0.65330672972048 0.81079771076062 0.99028022921464 74.922 > 13 53 As 0.34669327027952 0.31079771076062 0.25971977078536 74.922 > 14 54 As 0.84669327027952 0.31079771076062 0.25971977078536 74.922 > 14 55 As 0.34669327027952 0.31079771076062 0.75971977078536 74.922 > 14 56 As 0.84669327027952 0.31079771076062 0.75971977078536 74.922 > 14 57 As 0.34669327027952 0.18920228923938 0.00971977078536 74.922 > 15 58 As 0.84669327027952 0.18920228923938 0.00971977078536 74.922 > 15 59 As 0.34669327027952 0.18920228923938 0.50971977078536 74.922 > 15 60 As 0.84669327027952 0.18920228923938 0.50971977078536 74.922 > 15 61 As 0.15330672972048 0.68920228923938 0.24028022921464 74.922 > 16 62 As 0.65330672972048 0.68920228923938 0.24028022921464 74.922 > 16 63 As 0.15330672972048 0.68920228923938 0.74028022921464 74.922 > 16 64 As 0.65330672972048 0.68920228923938 0.74028022921464 74.922 > 16 *65 As 0.21592674701941 0.92317162495329 0.43887631270362 74.922 > 17 66 As 0.71592674701941 0.92317162495329 0.43887631270362 74.922 > 17 67 As 0.21592674701941 0.92317162495329 0.93887631270362 74.922 > 17 68 As 0.71592674701941 0.92317162495329 0.93887631270362 74.922 > 17 69 As 0.28407325298059 0.42317162495329 0.31112368729638 74.922 > 18 70 As 0.78407325298059 0.42317162495329 0.31112368729638 74.922 > 18 71 As 0.28407325298059 0.42317162495329 0.81112368729638 74.922 > 18 72 As 0.78407325298059 0.42317162495329 0.81112368729638 74.922 > 18 73 As 0.28407325298059 0.07682837504671 0.06112368729638 74.922 > 19 74 As 0.78407325298059 0.07682837504671 0.06112368729638 74.922 > 19 75 As 0.28407325298059 0.07682837504671 0.56112368729638 74.922 > 19 76 As 0.78407325298059 0.07682837504671 0.56112368729638 74.922 > 19 77 As 0.21592674701941 0.57682837504671 0.18887631270362 74.922 > 20 78 As 0.71592674701941 0.57682837504671 0.18887631270362 74.922 > 20 79 As 0.21592674701941 0.57682837504671 0.68887631270362 74.922 > 20 80 As 0.71592674701941 0.57682837504671 0.68887631270362 74.922 > 20 *81 As 0.00501169110728 0.78015668952678 0.06519530761813 74.922 > 21 82 As 0.50501169110728 0.78015668952678 0.06519530761813 74.922 > 21 83 As 0.00501169110728 0.78015668952678 0.56519530761813 74.922 > 21 84 As 0.50501169110728 0.78015668952678 0.56519530761813 74.922 > 21 85 As 0.49498830889272 0.28015668952678 0.18480469238187 74.922 > 22 86 As 0.99498830889272 0.28015668952678 0.18480469238187 74.922 > 22 87 As 0.49498830889272 0.28015668952678 0.68480469238187 74.922 > 22 88 As 0.99498830889272 0.28015668952678 0.68480469238187 74.922 > 22 89 As 0.49498830889272 0.21984331047322 0.43480469238187 74.922 > 23 90 As 0.99498830889272 0.21984331047322 0.43480469238187 74.922 > 23 91 As 0.49498830889272 0.21984331047322 0.93480469238187 74.922 > 23 92 As 0.99498830889272 0.21984331047322 0.93480469238187 74.922 > 23 93 As 0.00501169110728 0.71984331047322 0.31519530761813 74.922 > 24 94 As 0.50501169110728 0.71984331047322 0.31519530761813 74.922 > 24 95 As 0.00501169110728 0.71984331047322 0.81519530761813 74.922 > 24 96 As 0.50501169110728 0.71984331047322 0.81519530761813 74.922 > 24 *97 As 0.45221793160113 0.77923252087424 0.39050918085235 74.922 > 25 98 As 0.95221793160113 0.77923252087424 0.39050918085235 74.922 > 25 99 As 0.45221793160113 0.77923252087424 0.89050918085235 74.922 > 25 100 As 0.95221793160113 0.77923252087424 0.89050918085235 74.922 > 25 101 As 0.04778206839887 0.27923252087424 0.35949081914765 74.922 > 26 102 As 0.54778206839887 0.27923252087424 0.35949081914765 74.922 > 26 103 As 0.04778206839887 0.27923252087424 0.85949081914765 74.922 > 26 104 As 0.54778206839887 0.27923252087424 0.85949081914765 74.922 > 26 105 As 0.04778206839887 0.22076747912576 0.10949081914765 74.922 > 27 106 As 0.54778206839887 0.22076747912576 0.10949081914765 74.922 > 27 107 As 0.04778206839887 0.22076747912576 0.60949081914765 74.922 > 27 108 As 0.54778206839887 0.22076747912576 0.60949081914765 74.922 > 27 109 As 0.45221793160113 0.72076747912576 0.14050918085235 74.922 > 28 110 As 0.95221793160113 0.72076747912576 0.14050918085235 74.922 > 28 111 As 0.45221793160113 0.72076747912576 0.64050918085235 74.922 > 28 112 As 0.95221793160113 0.72076747912576 0.64050918085235 74.922 > 28 *113 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 29 114 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 29 115 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 29 116 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 29 117 Ba 0.00000000000000 0.50000000000000 0.25000000000000 137.327 > 30 118 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 30 119 Ba 0.00000000000000 0.50000000000000 0.75000000000000 137.327 > 30 120 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 30 *121 Ba 0.28502140243909 0.84277899272806 0.18527546140776 137.327 > 31 122 Ba 0.78502140243909 0.84277899272806 0.18527546140776 137.327 > 31 123 Ba 0.28502140243909 0.84277899272806 0.68527546140776 137.327 > 31 124 Ba 0.78502140243909 0.84277899272806 0.68527546140776 137.327 > 31 125 Ba 0.21497859756091 0.34277899272806 0.06472453859224 137.327 > 32 126 Ba 0.71497859756091 0.34277899272806 0.06472453859224 137.327 > 32 127 Ba 0.21497859756091 0.34277899272806 0.56472453859224 137.327 > 32 128 Ba 0.71497859756091 0.34277899272806 0.56472453859224 137.327 > 32 129 Ba 0.21497859756091 0.15722100727194 0.31472453859224 137.327 > 33 130 Ba 0.71497859756091 0.15722100727194 0.31472453859224 137.327 > 33 131 Ba 0.21497859756091 0.15722100727194 0.81472453859224 137.327 > 33 132 Ba 0.71497859756091 0.15722100727194 0.81472453859224 137.327 > 33 133 Ba 0.28502140243909 0.65722100727194 0.43527546140776 137.327 > 34 134 Ba 0.78502140243909 0.65722100727194 0.43527546140776 137.327 > 34 135 Ba 0.28502140243909 0.65722100727194 0.93527546140776 137.327 > 34 136 Ba 0.78502140243909 0.65722100727194 0.93527546140776 137.327 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.9517385 0.0000000 -1.3136677 0.0000000 12.1897006 0.0000000 -1.3091708 0.0000000 14.6549420 -------------------------- Born effective charges -------------------------- 1 As -0.3697801 -0.0353072 0.1141346 0.2971222 -0.6882281 -0.0524913 0.0354945 -0.2355918 0.1438881 2 As -0.3697801 0.0353072 0.1141346 -0.2971222 -0.6882281 0.0524913 0.0354945 0.2355918 0.1438881 3 As -0.3697801 -0.0353072 0.1141346 0.2971222 -0.6882281 -0.0524913 0.0354945 -0.2355918 0.1438881 4 As -0.3697801 0.0353072 0.1141346 -0.2971222 -0.6882281 0.0524913 0.0354945 0.2355918 0.1438881 5 As 0.0901508 -0.2873646 0.2389814 -0.0478553 -0.0820917 -0.1098037 0.1725615 0.1841360 -0.7493058 6 As 0.0901508 0.2873646 0.2389814 0.0478553 -0.0820917 0.1098037 0.1725615 -0.1841360 -0.7493058 7 As 0.0901508 -0.2873646 0.2389814 -0.0478553 -0.0820917 -0.1098037 0.1725615 0.1841360 -0.7493058 8 As 0.0901508 0.2873646 0.2389814 0.0478553 -0.0820917 0.1098037 0.1725615 -0.1841360 -0.7493058 9 As -0.8816629 -0.5687777 0.1761318 -0.5027798 -1.6313702 0.0830976 0.3768450 0.0500080 -1.5663270 10 As -0.8816629 0.5687777 0.1761318 0.5027798 -1.6313702 -0.0830976 0.3768450 -0.0500080 -1.5663270 11 As -0.8816629 -0.5687777 0.1761318 -0.5027798 -1.6313702 0.0830976 0.3768450 0.0500080 -1.5663270 12 As -0.8816629 0.5687777 0.1761318 0.5027798 -1.6313702 -0.0830976 0.3768450 -0.0500080 -1.5663270 13 As -1.6426352 0.1196613 0.0761212 0.2678265 -1.1404058 -0.3691653 0.3147139 -0.3678356 -1.3232630 14 As -1.6426352 -0.1196613 0.0761212 -0.2678265 -1.1404058 0.3691653 0.3147139 0.3678356 -1.3232630 15 As -1.6426352 0.1196613 0.0761212 0.2678265 -1.1404058 -0.3691653 0.3147139 -0.3678356 -1.3232630 16 As -1.6426352 -0.1196613 0.0761212 -0.2678265 -1.1404058 0.3691653 0.3147139 0.3678356 -1.3232630 17 As -0.4380186 -0.0567117 -0.3811351 -0.3077958 -0.0197573 0.3492538 -0.5848480 0.2645179 -0.5795219 18 As -0.4380186 0.0567117 -0.3811351 0.3077958 -0.0197573 -0.3492538 -0.5848480 -0.2645179 -0.5795219 19 As -0.4380186 -0.0567117 -0.3811351 -0.3077958 -0.0197573 0.3492538 -0.5848480 0.2645179 -0.5795219 20 As -0.4380186 0.0567117 -0.3811351 0.3077958 -0.0197573 -0.3492538 -0.5848480 -0.2645179 -0.5795219 21 As -1.2518490 0.2406396 -0.3834837 0.1753646 -1.4361603 0.2144460 -0.5185212 0.1965358 -1.5334803 22 As -1.2518490 -0.2406396 -0.3834837 -0.1753646 -1.4361603 -0.2144460 -0.5185212 -0.1965358 -1.5334803 23 As -1.2518490 0.2406396 -0.3834837 0.1753646 -1.4361603 0.2144460 -0.5185212 0.1965358 -1.5334803 24 As -1.2518490 -0.2406396 -0.3834837 -0.1753646 -1.4361603 -0.2144460 -0.5185212 -0.1965358 -1.5334803 25 As -0.2591019 -0.4499747 0.2241716 -0.0989613 0.3874906 0.0502925 0.2451557 -0.0904266 0.9107259 26 As -0.2591019 0.4499747 0.2241716 0.0989613 0.3874906 -0.0502925 0.2451557 0.0904266 0.9107259 27 As -0.2591019 -0.4499747 0.2241716 -0.0989613 0.3874906 0.0502925 0.2451557 -0.0904266 0.9107259 28 As -0.2591019 0.4499747 0.2241716 0.0989613 0.3874906 -0.0502925 0.2451557 0.0904266 0.9107259 29 Ba 3.4924072 -0.3053083 -0.7857381 0.0654922 3.7851034 0.9015826 -0.6713704 0.1778276 3.0883576 30 Ba 3.4924072 0.3053083 -0.7857381 -0.0654922 3.7851034 -0.9015826 -0.6713704 -0.1778276 3.0883576 31 Ba 3.0066933 0.3390177 0.3279472 0.5515017 2.7179710 0.1372751 0.2942839 0.0538692 3.1531052 32 Ba 3.0066933 -0.3390177 0.3279472 -0.5515017 2.7179710 -0.1372751 0.2942839 -0.0538692 3.1531052 33 Ba 3.0066933 0.3390177 0.3279472 0.5515017 2.7179710 0.1372751 0.2942839 0.0538692 3.1531052 34 Ba 3.0066933 -0.3390177 0.3279472 -0.5515017 2.7179710 -0.1372751 0.2942839 -0.0538692 3.1531052 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1158 / 1158 (1) 151 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 125 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5364, 5284), data: False |-- (630, 621), data: False |-- (630, 5), data: (630, 14) @ (14, 5) |-- (130, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1158, 1141), data: False |-- (1158, 20), data: (1158, 37) @ (37, 20) |-- (158, 151), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.554 Solver_block: 200 / 1040 - Time: 1.366 Solver_block: 300 / 1040 - Time: 1.368 Solver_block: 400 / 1040 - Time: 1.369 Solver_block: 500 / 1040 - Time: 1.369 Solver_block: 600 / 1040 - Time: 1.371 Solver_block: 700 / 1040 - Time: 1.368 Solver_block: 800 / 1040 - Time: 1.366 Solver_block: 900 / 1040 - Time: 1.371 Solver_block: 1000 / 1040 - Time: 1.372 Solver_block: 1040 / 1040 - Time: 0.664 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.960 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1158 / 1158 (1) 151 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 125 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5364, 5284), data: False |-- (630, 621), data: False |-- (630, 5), data: (630, 14) @ (14, 5) |-- (130, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1158, 1141), data: False |-- (1158, 20), data: (1158, 37) @ (37, 20) |-- (158, 151), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-07 18:34:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:34:28]------------------------- 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 6.838799174740159 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -6.821667218473480 0.000000000000000 9.863396676079528 Atomic positions (fractional): 1 As 0.07395675205324 0.49417952947139 0.18584262845632 74.922 2 As 0.92604324794676 0.99417952947139 0.31415737154368 74.922 3 As 0.92604324794676 0.50582047052861 0.81415737154368 74.922 4 As 0.07395675205324 0.00582047052861 0.68584262845632 74.922 5 As 0.23886855570729 0.64075708863672 0.13648631963361 74.922 6 As 0.76113144429271 0.14075708863672 0.36351368036639 74.922 7 As 0.76113144429271 0.35924291136328 0.86351368036639 74.922 8 As 0.23886855570729 0.85924291136328 0.63648631963361 74.922 9 As 0.26639128627492 0.43948444599958 0.82668452061785 74.922 10 As 0.73360871372507 0.93948444599958 0.67331547938215 74.922 11 As 0.73360871372507 0.56051555400042 0.17331547938215 74.922 12 As 0.26639128627492 0.06051555400042 0.32668452061785 74.922 13 As 0.30661345944095 0.81079771076062 0.98056045842928 74.922 14 As 0.69338654055905 0.31079771076062 0.51943954157072 74.922 15 As 0.69338654055905 0.18920228923938 0.01943954157072 74.922 16 As 0.30661345944095 0.68920228923938 0.48056045842928 74.922 17 As 0.43185349403882 0.92317162495329 0.87775262540724 74.922 18 As 0.56814650596118 0.42317162495329 0.62224737459276 74.922 19 As 0.56814650596118 0.07682837504671 0.12224737459276 74.922 20 As 0.43185349403882 0.57682837504671 0.37775262540724 74.922 21 As 0.01002338221456 0.78015668952678 0.13039061523626 74.922 22 As 0.98997661778544 0.28015668952678 0.36960938476374 74.922 23 As 0.98997661778544 0.21984331047322 0.86960938476374 74.922 24 As 0.01002338221456 0.71984331047322 0.63039061523626 74.922 25 As 0.90443586320226 0.77923252087424 0.78101836170470 74.922 26 As 0.09556413679774 0.27923252087424 0.71898163829530 74.922 27 As 0.09556413679774 0.22076747912576 0.21898163829530 74.922 28 As 0.90443586320226 0.72076747912576 0.28101836170470 74.922 29 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 30 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 31 Ba 0.57004280487817 0.84277899272806 0.37055092281551 137.327 32 Ba 0.42995719512183 0.34277899272806 0.12944907718449 137.327 33 Ba 0.42995719512183 0.15722100727194 0.62944907718448 137.327 34 Ba 0.57004280487817 0.65722100727194 0.87055092281552 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.677598349480318 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -13.643334436946960 0.000000000000000 19.726793352159056 Atomic positions (fractional): 1 As 0.03697837602662 0.49417952947139 0.09292131422816 74.922 > 1 2 As 0.53697837602662 0.49417952947139 0.09292131422816 74.922 > 1 3 As 0.03697837602662 0.49417952947139 0.59292131422816 74.922 > 1 4 As 0.53697837602662 0.49417952947139 0.59292131422816 74.922 > 1 5 As 0.46302162397338 0.99417952947139 0.15707868577184 74.922 > 5 6 As 0.96302162397338 0.99417952947139 0.15707868577184 74.922 > 5 7 As 0.46302162397338 0.99417952947139 0.65707868577184 74.922 > 5 8 As 0.96302162397338 0.99417952947139 0.65707868577184 74.922 > 5 9 As 0.46302162397338 0.50582047052861 0.40707868577184 74.922 > 9 10 As 0.96302162397338 0.50582047052861 0.40707868577184 74.922 > 9 11 As 0.46302162397338 0.50582047052861 0.90707868577184 74.922 > 9 12 As 0.96302162397338 0.50582047052861 0.90707868577184 74.922 > 9 13 As 0.03697837602662 0.00582047052861 0.34292131422816 74.922 > 13 14 As 0.53697837602662 0.00582047052861 0.34292131422816 74.922 > 13 15 As 0.03697837602662 0.00582047052861 0.84292131422816 74.922 > 13 16 As 0.53697837602662 0.00582047052861 0.84292131422816 74.922 > 13 17 As 0.11943427785364 0.64075708863672 0.06824315981680 74.922 > 17 18 As 0.61943427785364 0.64075708863672 0.06824315981680 74.922 > 17 19 As 0.11943427785364 0.64075708863672 0.56824315981680 74.922 > 17 20 As 0.61943427785364 0.64075708863672 0.56824315981680 74.922 > 17 21 As 0.38056572214636 0.14075708863672 0.18175684018320 74.922 > 21 22 As 0.88056572214636 0.14075708863672 0.18175684018320 74.922 > 21 23 As 0.38056572214636 0.14075708863672 0.68175684018320 74.922 > 21 24 As 0.88056572214636 0.14075708863672 0.68175684018320 74.922 > 21 25 As 0.38056572214636 0.35924291136328 0.43175684018320 74.922 > 25 26 As 0.88056572214636 0.35924291136328 0.43175684018320 74.922 > 25 27 As 0.38056572214636 0.35924291136328 0.93175684018320 74.922 > 25 28 As 0.88056572214636 0.35924291136328 0.93175684018320 74.922 > 25 29 As 0.11943427785364 0.85924291136328 0.31824315981680 74.922 > 29 30 As 0.61943427785364 0.85924291136328 0.31824315981680 74.922 > 29 31 As 0.11943427785364 0.85924291136328 0.81824315981680 74.922 > 29 32 As 0.61943427785364 0.85924291136328 0.81824315981680 74.922 > 29 33 As 0.13319564313746 0.43948444599958 0.41334226030892 74.922 > 33 34 As 0.63319564313746 0.43948444599958 0.41334226030892 74.922 > 33 35 As 0.13319564313746 0.43948444599958 0.91334226030892 74.922 > 33 36 As 0.63319564313746 0.43948444599958 0.91334226030892 74.922 > 33 37 As 0.36680435686254 0.93948444599958 0.33665773969108 74.922 > 37 38 As 0.86680435686254 0.93948444599958 0.33665773969108 74.922 > 37 39 As 0.36680435686254 0.93948444599958 0.83665773969108 74.922 > 37 40 As 0.86680435686254 0.93948444599958 0.83665773969108 74.922 > 37 41 As 0.36680435686254 0.56051555400042 0.08665773969108 74.922 > 41 42 As 0.86680435686254 0.56051555400042 0.08665773969108 74.922 > 41 43 As 0.36680435686254 0.56051555400042 0.58665773969108 74.922 > 41 44 As 0.86680435686254 0.56051555400042 0.58665773969108 74.922 > 41 45 As 0.13319564313746 0.06051555400042 0.16334226030892 74.922 > 45 46 As 0.63319564313746 0.06051555400042 0.16334226030892 74.922 > 45 47 As 0.13319564313746 0.06051555400042 0.66334226030892 74.922 > 45 48 As 0.63319564313746 0.06051555400042 0.66334226030892 74.922 > 45 49 As 0.15330672972048 0.81079771076062 0.49028022921464 74.922 > 49 50 As 0.65330672972048 0.81079771076062 0.49028022921464 74.922 > 49 51 As 0.15330672972048 0.81079771076062 0.99028022921464 74.922 > 49 52 As 0.65330672972048 0.81079771076062 0.99028022921464 74.922 > 49 53 As 0.34669327027952 0.31079771076062 0.25971977078536 74.922 > 53 54 As 0.84669327027952 0.31079771076062 0.25971977078536 74.922 > 53 55 As 0.34669327027952 0.31079771076062 0.75971977078536 74.922 > 53 56 As 0.84669327027952 0.31079771076062 0.75971977078536 74.922 > 53 57 As 0.34669327027952 0.18920228923938 0.00971977078536 74.922 > 57 58 As 0.84669327027952 0.18920228923938 0.00971977078536 74.922 > 57 59 As 0.34669327027952 0.18920228923938 0.50971977078536 74.922 > 57 60 As 0.84669327027952 0.18920228923938 0.50971977078536 74.922 > 57 61 As 0.15330672972048 0.68920228923938 0.24028022921464 74.922 > 61 62 As 0.65330672972048 0.68920228923938 0.24028022921464 74.922 > 61 63 As 0.15330672972048 0.68920228923938 0.74028022921464 74.922 > 61 64 As 0.65330672972048 0.68920228923938 0.74028022921464 74.922 > 61 65 As 0.21592674701941 0.92317162495329 0.43887631270362 74.922 > 65 66 As 0.71592674701941 0.92317162495329 0.43887631270362 74.922 > 65 67 As 0.21592674701941 0.92317162495329 0.93887631270362 74.922 > 65 68 As 0.71592674701941 0.92317162495329 0.93887631270362 74.922 > 65 69 As 0.28407325298059 0.42317162495329 0.31112368729638 74.922 > 69 70 As 0.78407325298059 0.42317162495329 0.31112368729638 74.922 > 69 71 As 0.28407325298059 0.42317162495329 0.81112368729638 74.922 > 69 72 As 0.78407325298059 0.42317162495329 0.81112368729638 74.922 > 69 73 As 0.28407325298059 0.07682837504671 0.06112368729638 74.922 > 73 74 As 0.78407325298059 0.07682837504671 0.06112368729638 74.922 > 73 75 As 0.28407325298059 0.07682837504671 0.56112368729638 74.922 > 73 76 As 0.78407325298059 0.07682837504671 0.56112368729638 74.922 > 73 77 As 0.21592674701941 0.57682837504671 0.18887631270362 74.922 > 77 78 As 0.71592674701941 0.57682837504671 0.18887631270362 74.922 > 77 79 As 0.21592674701941 0.57682837504671 0.68887631270362 74.922 > 77 80 As 0.71592674701941 0.57682837504671 0.68887631270362 74.922 > 77 81 As 0.00501169110728 0.78015668952678 0.06519530761813 74.922 > 81 82 As 0.50501169110728 0.78015668952678 0.06519530761813 74.922 > 81 83 As 0.00501169110728 0.78015668952678 0.56519530761813 74.922 > 81 84 As 0.50501169110728 0.78015668952678 0.56519530761813 74.922 > 81 85 As 0.49498830889272 0.28015668952678 0.18480469238187 74.922 > 85 86 As 0.99498830889272 0.28015668952678 0.18480469238187 74.922 > 85 87 As 0.49498830889272 0.28015668952678 0.68480469238187 74.922 > 85 88 As 0.99498830889272 0.28015668952678 0.68480469238187 74.922 > 85 89 As 0.49498830889272 0.21984331047322 0.43480469238187 74.922 > 89 90 As 0.99498830889272 0.21984331047322 0.43480469238187 74.922 > 89 91 As 0.49498830889272 0.21984331047322 0.93480469238187 74.922 > 89 92 As 0.99498830889272 0.21984331047322 0.93480469238187 74.922 > 89 93 As 0.00501169110728 0.71984331047322 0.31519530761813 74.922 > 93 94 As 0.50501169110728 0.71984331047322 0.31519530761813 74.922 > 93 95 As 0.00501169110728 0.71984331047322 0.81519530761813 74.922 > 93 96 As 0.50501169110728 0.71984331047322 0.81519530761813 74.922 > 93 97 As 0.45221793160113 0.77923252087424 0.39050918085235 74.922 > 97 98 As 0.95221793160113 0.77923252087424 0.39050918085235 74.922 > 97 99 As 0.45221793160113 0.77923252087424 0.89050918085235 74.922 > 97 100 As 0.95221793160113 0.77923252087424 0.89050918085235 74.922 > 97 101 As 0.04778206839887 0.27923252087424 0.35949081914765 74.922 > 101 102 As 0.54778206839887 0.27923252087424 0.35949081914765 74.922 > 101 103 As 0.04778206839887 0.27923252087424 0.85949081914765 74.922 > 101 104 As 0.54778206839887 0.27923252087424 0.85949081914765 74.922 > 101 105 As 0.04778206839887 0.22076747912576 0.10949081914765 74.922 > 105 106 As 0.54778206839887 0.22076747912576 0.10949081914765 74.922 > 105 107 As 0.04778206839887 0.22076747912576 0.60949081914765 74.922 > 105 108 As 0.54778206839887 0.22076747912576 0.60949081914765 74.922 > 105 109 As 0.45221793160113 0.72076747912576 0.14050918085235 74.922 > 109 110 As 0.95221793160113 0.72076747912576 0.14050918085235 74.922 > 109 111 As 0.45221793160113 0.72076747912576 0.64050918085235 74.922 > 109 112 As 0.95221793160113 0.72076747912576 0.64050918085235 74.922 > 109 113 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 113 114 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 113 115 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 113 116 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 113 117 Ba 0.00000000000000 0.50000000000000 0.25000000000000 137.327 > 117 118 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 117 119 Ba 0.00000000000000 0.50000000000000 0.75000000000000 137.327 > 117 120 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 117 121 Ba 0.28502140243909 0.84277899272806 0.18527546140776 137.327 > 121 122 Ba 0.78502140243909 0.84277899272806 0.18527546140776 137.327 > 121 123 Ba 0.28502140243909 0.84277899272806 0.68527546140776 137.327 > 121 124 Ba 0.78502140243909 0.84277899272806 0.68527546140776 137.327 > 121 125 Ba 0.21497859756091 0.34277899272806 0.06472453859224 137.327 > 125 126 Ba 0.71497859756091 0.34277899272806 0.06472453859224 137.327 > 125 127 Ba 0.21497859756091 0.34277899272806 0.56472453859224 137.327 > 125 128 Ba 0.71497859756091 0.34277899272806 0.56472453859224 137.327 > 125 129 Ba 0.21497859756091 0.15722100727194 0.31472453859224 137.327 > 129 130 Ba 0.71497859756091 0.15722100727194 0.31472453859224 137.327 > 129 131 Ba 0.21497859756091 0.15722100727194 0.81472453859224 137.327 > 129 132 Ba 0.71497859756091 0.15722100727194 0.81472453859224 137.327 > 129 133 Ba 0.28502140243909 0.65722100727194 0.43527546140776 137.327 > 133 134 Ba 0.78502140243909 0.65722100727194 0.43527546140776 137.327 > 133 135 Ba 0.28502140243909 0.65722100727194 0.93527546140776 137.327 > 133 136 Ba 0.78502140243909 0.65722100727194 0.93527546140776 137.327 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.9517385 0.0000000 -1.3136677 0.0000000 12.1897006 0.0000000 -1.3091708 0.0000000 14.6549420 -------------------------- Born effective charges -------------------------- 1 As -0.3697801 -0.0353072 0.1141346 0.2971222 -0.6882281 -0.0524913 0.0354945 -0.2355918 0.1438881 2 As -0.3697801 0.0353072 0.1141346 -0.2971222 -0.6882281 0.0524913 0.0354945 0.2355918 0.1438881 3 As -0.3697801 -0.0353072 0.1141346 0.2971222 -0.6882281 -0.0524913 0.0354945 -0.2355918 0.1438881 4 As -0.3697801 0.0353072 0.1141346 -0.2971222 -0.6882281 0.0524913 0.0354945 0.2355918 0.1438881 5 As 0.0901508 -0.2873646 0.2389814 -0.0478553 -0.0820917 -0.1098037 0.1725615 0.1841360 -0.7493058 6 As 0.0901508 0.2873646 0.2389814 0.0478553 -0.0820917 0.1098037 0.1725615 -0.1841360 -0.7493058 7 As 0.0901508 -0.2873646 0.2389814 -0.0478553 -0.0820917 -0.1098037 0.1725615 0.1841360 -0.7493058 8 As 0.0901508 0.2873646 0.2389814 0.0478553 -0.0820917 0.1098037 0.1725615 -0.1841360 -0.7493058 9 As -0.8816629 -0.5687777 0.1761318 -0.5027798 -1.6313702 0.0830976 0.3768450 0.0500080 -1.5663270 10 As -0.8816629 0.5687777 0.1761318 0.5027798 -1.6313702 -0.0830976 0.3768450 -0.0500080 -1.5663270 11 As -0.8816629 -0.5687777 0.1761318 -0.5027798 -1.6313702 0.0830976 0.3768450 0.0500080 -1.5663270 12 As -0.8816629 0.5687777 0.1761318 0.5027798 -1.6313702 -0.0830976 0.3768450 -0.0500080 -1.5663270 13 As -1.6426352 0.1196613 0.0761212 0.2678265 -1.1404058 -0.3691653 0.3147139 -0.3678356 -1.3232630 14 As -1.6426352 -0.1196613 0.0761212 -0.2678265 -1.1404058 0.3691653 0.3147139 0.3678356 -1.3232630 15 As -1.6426352 0.1196613 0.0761212 0.2678265 -1.1404058 -0.3691653 0.3147139 -0.3678356 -1.3232630 16 As -1.6426352 -0.1196613 0.0761212 -0.2678265 -1.1404058 0.3691653 0.3147139 0.3678356 -1.3232630 17 As -0.4380186 -0.0567117 -0.3811351 -0.3077958 -0.0197573 0.3492538 -0.5848480 0.2645179 -0.5795219 18 As -0.4380186 0.0567117 -0.3811351 0.3077958 -0.0197573 -0.3492538 -0.5848480 -0.2645179 -0.5795219 19 As -0.4380186 -0.0567117 -0.3811351 -0.3077958 -0.0197573 0.3492538 -0.5848480 0.2645179 -0.5795219 20 As -0.4380186 0.0567117 -0.3811351 0.3077958 -0.0197573 -0.3492538 -0.5848480 -0.2645179 -0.5795219 21 As -1.2518490 0.2406396 -0.3834837 0.1753646 -1.4361603 0.2144460 -0.5185212 0.1965358 -1.5334803 22 As -1.2518490 -0.2406396 -0.3834837 -0.1753646 -1.4361603 -0.2144460 -0.5185212 -0.1965358 -1.5334803 23 As -1.2518490 0.2406396 -0.3834837 0.1753646 -1.4361603 0.2144460 -0.5185212 0.1965358 -1.5334803 24 As -1.2518490 -0.2406396 -0.3834837 -0.1753646 -1.4361603 -0.2144460 -0.5185212 -0.1965358 -1.5334803 25 As -0.2591019 -0.4499747 0.2241716 -0.0989613 0.3874906 0.0502925 0.2451557 -0.0904266 0.9107259 26 As -0.2591019 0.4499747 0.2241716 0.0989613 0.3874906 -0.0502925 0.2451557 0.0904266 0.9107259 27 As -0.2591019 -0.4499747 0.2241716 -0.0989613 0.3874906 0.0502925 0.2451557 -0.0904266 0.9107259 28 As -0.2591019 0.4499747 0.2241716 0.0989613 0.3874906 -0.0502925 0.2451557 0.0904266 0.9107259 29 Ba 3.4924072 -0.3053083 -0.7857381 0.0654922 3.7851034 0.9015826 -0.6713704 0.1778276 3.0883576 30 Ba 3.4924072 0.3053083 -0.7857381 -0.0654922 3.7851034 -0.9015826 -0.6713704 -0.1778276 3.0883576 31 Ba 3.0066933 0.3390177 0.3279472 0.5515017 2.7179710 0.1372751 0.2942839 0.0538692 3.1531052 32 Ba 3.0066933 -0.3390177 0.3279472 -0.5515017 2.7179710 -0.1372751 0.2942839 -0.0538692 3.1531052 33 Ba 3.0066933 0.3390177 0.3279472 0.5515017 2.7179710 0.1372751 0.2942839 0.0538692 3.1531052 34 Ba 3.0066933 -0.3390177 0.3279472 -0.5515017 2.7179710 -0.1372751 0.2942839 -0.0538692 3.1531052 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 97, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 113, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 121, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:35:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:35:24]------------------------- 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 6.838799174740159 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -6.821667218473480 0.000000000000000 9.863396676079528 Atomic positions (fractional): 1 As 0.07395675205324 0.49417952947139 0.18584262845632 74.922 2 As 0.92604324794676 0.99417952947139 0.31415737154368 74.922 3 As 0.92604324794676 0.50582047052861 0.81415737154368 74.922 4 As 0.07395675205324 0.00582047052861 0.68584262845632 74.922 5 As 0.23886855570729 0.64075708863672 0.13648631963361 74.922 6 As 0.76113144429271 0.14075708863672 0.36351368036639 74.922 7 As 0.76113144429271 0.35924291136328 0.86351368036639 74.922 8 As 0.23886855570729 0.85924291136328 0.63648631963361 74.922 9 As 0.26639128627492 0.43948444599958 0.82668452061785 74.922 10 As 0.73360871372507 0.93948444599958 0.67331547938215 74.922 11 As 0.73360871372507 0.56051555400042 0.17331547938215 74.922 12 As 0.26639128627492 0.06051555400042 0.32668452061785 74.922 13 As 0.30661345944095 0.81079771076062 0.98056045842928 74.922 14 As 0.69338654055905 0.31079771076062 0.51943954157072 74.922 15 As 0.69338654055905 0.18920228923938 0.01943954157072 74.922 16 As 0.30661345944095 0.68920228923938 0.48056045842928 74.922 17 As 0.43185349403882 0.92317162495329 0.87775262540724 74.922 18 As 0.56814650596118 0.42317162495329 0.62224737459276 74.922 19 As 0.56814650596118 0.07682837504671 0.12224737459276 74.922 20 As 0.43185349403882 0.57682837504671 0.37775262540724 74.922 21 As 0.01002338221456 0.78015668952678 0.13039061523626 74.922 22 As 0.98997661778544 0.28015668952678 0.36960938476374 74.922 23 As 0.98997661778544 0.21984331047322 0.86960938476374 74.922 24 As 0.01002338221456 0.71984331047322 0.63039061523626 74.922 25 As 0.90443586320226 0.77923252087424 0.78101836170470 74.922 26 As 0.09556413679774 0.27923252087424 0.71898163829530 74.922 27 As 0.09556413679774 0.22076747912576 0.21898163829530 74.922 28 As 0.90443586320226 0.72076747912576 0.28101836170470 74.922 29 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 30 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 31 Ba 0.57004280487817 0.84277899272806 0.37055092281551 137.327 32 Ba 0.42995719512183 0.34277899272806 0.12944907718449 137.327 33 Ba 0.42995719512183 0.15722100727194 0.62944907718448 137.327 34 Ba 0.57004280487817 0.65722100727194 0.87055092281552 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.677598349480318 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484835949999997 0.000000000000000 c -13.643334436946960 0.000000000000000 19.726793352159056 Atomic positions (fractional): 1 As 0.03697837602662 0.49417952947139 0.09292131422816 74.922 > 1 2 As 0.53697837602662 0.49417952947139 0.09292131422816 74.922 > 1 3 As 0.03697837602662 0.49417952947139 0.59292131422816 74.922 > 1 4 As 0.53697837602662 0.49417952947139 0.59292131422816 74.922 > 1 5 As 0.46302162397338 0.99417952947139 0.15707868577184 74.922 > 5 6 As 0.96302162397338 0.99417952947139 0.15707868577184 74.922 > 5 7 As 0.46302162397338 0.99417952947139 0.65707868577184 74.922 > 5 8 As 0.96302162397338 0.99417952947139 0.65707868577184 74.922 > 5 9 As 0.46302162397338 0.50582047052861 0.40707868577184 74.922 > 9 10 As 0.96302162397338 0.50582047052861 0.40707868577184 74.922 > 9 11 As 0.46302162397338 0.50582047052861 0.90707868577184 74.922 > 9 12 As 0.96302162397338 0.50582047052861 0.90707868577184 74.922 > 9 13 As 0.03697837602662 0.00582047052861 0.34292131422816 74.922 > 13 14 As 0.53697837602662 0.00582047052861 0.34292131422816 74.922 > 13 15 As 0.03697837602662 0.00582047052861 0.84292131422816 74.922 > 13 16 As 0.53697837602662 0.00582047052861 0.84292131422816 74.922 > 13 17 As 0.11943427785364 0.64075708863672 0.06824315981680 74.922 > 17 18 As 0.61943427785364 0.64075708863672 0.06824315981680 74.922 > 17 19 As 0.11943427785364 0.64075708863672 0.56824315981680 74.922 > 17 20 As 0.61943427785364 0.64075708863672 0.56824315981680 74.922 > 17 21 As 0.38056572214636 0.14075708863672 0.18175684018320 74.922 > 21 22 As 0.88056572214636 0.14075708863672 0.18175684018320 74.922 > 21 23 As 0.38056572214636 0.14075708863672 0.68175684018320 74.922 > 21 24 As 0.88056572214636 0.14075708863672 0.68175684018320 74.922 > 21 25 As 0.38056572214636 0.35924291136328 0.43175684018320 74.922 > 25 26 As 0.88056572214636 0.35924291136328 0.43175684018320 74.922 > 25 27 As 0.38056572214636 0.35924291136328 0.93175684018320 74.922 > 25 28 As 0.88056572214636 0.35924291136328 0.93175684018320 74.922 > 25 29 As 0.11943427785364 0.85924291136328 0.31824315981680 74.922 > 29 30 As 0.61943427785364 0.85924291136328 0.31824315981680 74.922 > 29 31 As 0.11943427785364 0.85924291136328 0.81824315981680 74.922 > 29 32 As 0.61943427785364 0.85924291136328 0.81824315981680 74.922 > 29 33 As 0.13319564313746 0.43948444599958 0.41334226030892 74.922 > 33 34 As 0.63319564313746 0.43948444599958 0.41334226030892 74.922 > 33 35 As 0.13319564313746 0.43948444599958 0.91334226030892 74.922 > 33 36 As 0.63319564313746 0.43948444599958 0.91334226030892 74.922 > 33 37 As 0.36680435686254 0.93948444599958 0.33665773969108 74.922 > 37 38 As 0.86680435686254 0.93948444599958 0.33665773969108 74.922 > 37 39 As 0.36680435686254 0.93948444599958 0.83665773969108 74.922 > 37 40 As 0.86680435686254 0.93948444599958 0.83665773969108 74.922 > 37 41 As 0.36680435686254 0.56051555400042 0.08665773969108 74.922 > 41 42 As 0.86680435686254 0.56051555400042 0.08665773969108 74.922 > 41 43 As 0.36680435686254 0.56051555400042 0.58665773969108 74.922 > 41 44 As 0.86680435686254 0.56051555400042 0.58665773969108 74.922 > 41 45 As 0.13319564313746 0.06051555400042 0.16334226030892 74.922 > 45 46 As 0.63319564313746 0.06051555400042 0.16334226030892 74.922 > 45 47 As 0.13319564313746 0.06051555400042 0.66334226030892 74.922 > 45 48 As 0.63319564313746 0.06051555400042 0.66334226030892 74.922 > 45 49 As 0.15330672972048 0.81079771076062 0.49028022921464 74.922 > 49 50 As 0.65330672972048 0.81079771076062 0.49028022921464 74.922 > 49 51 As 0.15330672972048 0.81079771076062 0.99028022921464 74.922 > 49 52 As 0.65330672972048 0.81079771076062 0.99028022921464 74.922 > 49 53 As 0.34669327027952 0.31079771076062 0.25971977078536 74.922 > 53 54 As 0.84669327027952 0.31079771076062 0.25971977078536 74.922 > 53 55 As 0.34669327027952 0.31079771076062 0.75971977078536 74.922 > 53 56 As 0.84669327027952 0.31079771076062 0.75971977078536 74.922 > 53 57 As 0.34669327027952 0.18920228923938 0.00971977078536 74.922 > 57 58 As 0.84669327027952 0.18920228923938 0.00971977078536 74.922 > 57 59 As 0.34669327027952 0.18920228923938 0.50971977078536 74.922 > 57 60 As 0.84669327027952 0.18920228923938 0.50971977078536 74.922 > 57 61 As 0.15330672972048 0.68920228923938 0.24028022921464 74.922 > 61 62 As 0.65330672972048 0.68920228923938 0.24028022921464 74.922 > 61 63 As 0.15330672972048 0.68920228923938 0.74028022921464 74.922 > 61 64 As 0.65330672972048 0.68920228923938 0.74028022921464 74.922 > 61 65 As 0.21592674701941 0.92317162495329 0.43887631270362 74.922 > 65 66 As 0.71592674701941 0.92317162495329 0.43887631270362 74.922 > 65 67 As 0.21592674701941 0.92317162495329 0.93887631270362 74.922 > 65 68 As 0.71592674701941 0.92317162495329 0.93887631270362 74.922 > 65 69 As 0.28407325298059 0.42317162495329 0.31112368729638 74.922 > 69 70 As 0.78407325298059 0.42317162495329 0.31112368729638 74.922 > 69 71 As 0.28407325298059 0.42317162495329 0.81112368729638 74.922 > 69 72 As 0.78407325298059 0.42317162495329 0.81112368729638 74.922 > 69 73 As 0.28407325298059 0.07682837504671 0.06112368729638 74.922 > 73 74 As 0.78407325298059 0.07682837504671 0.06112368729638 74.922 > 73 75 As 0.28407325298059 0.07682837504671 0.56112368729638 74.922 > 73 76 As 0.78407325298059 0.07682837504671 0.56112368729638 74.922 > 73 77 As 0.21592674701941 0.57682837504671 0.18887631270362 74.922 > 77 78 As 0.71592674701941 0.57682837504671 0.18887631270362 74.922 > 77 79 As 0.21592674701941 0.57682837504671 0.68887631270362 74.922 > 77 80 As 0.71592674701941 0.57682837504671 0.68887631270362 74.922 > 77 81 As 0.00501169110728 0.78015668952678 0.06519530761813 74.922 > 81 82 As 0.50501169110728 0.78015668952678 0.06519530761813 74.922 > 81 83 As 0.00501169110728 0.78015668952678 0.56519530761813 74.922 > 81 84 As 0.50501169110728 0.78015668952678 0.56519530761813 74.922 > 81 85 As 0.49498830889272 0.28015668952678 0.18480469238187 74.922 > 85 86 As 0.99498830889272 0.28015668952678 0.18480469238187 74.922 > 85 87 As 0.49498830889272 0.28015668952678 0.68480469238187 74.922 > 85 88 As 0.99498830889272 0.28015668952678 0.68480469238187 74.922 > 85 89 As 0.49498830889272 0.21984331047322 0.43480469238187 74.922 > 89 90 As 0.99498830889272 0.21984331047322 0.43480469238187 74.922 > 89 91 As 0.49498830889272 0.21984331047322 0.93480469238187 74.922 > 89 92 As 0.99498830889272 0.21984331047322 0.93480469238187 74.922 > 89 93 As 0.00501169110728 0.71984331047322 0.31519530761813 74.922 > 93 94 As 0.50501169110728 0.71984331047322 0.31519530761813 74.922 > 93 95 As 0.00501169110728 0.71984331047322 0.81519530761813 74.922 > 93 96 As 0.50501169110728 0.71984331047322 0.81519530761813 74.922 > 93 97 As 0.45221793160113 0.77923252087424 0.39050918085235 74.922 > 97 98 As 0.95221793160113 0.77923252087424 0.39050918085235 74.922 > 97 99 As 0.45221793160113 0.77923252087424 0.89050918085235 74.922 > 97 100 As 0.95221793160113 0.77923252087424 0.89050918085235 74.922 > 97 101 As 0.04778206839887 0.27923252087424 0.35949081914765 74.922 > 101 102 As 0.54778206839887 0.27923252087424 0.35949081914765 74.922 > 101 103 As 0.04778206839887 0.27923252087424 0.85949081914765 74.922 > 101 104 As 0.54778206839887 0.27923252087424 0.85949081914765 74.922 > 101 105 As 0.04778206839887 0.22076747912576 0.10949081914765 74.922 > 105 106 As 0.54778206839887 0.22076747912576 0.10949081914765 74.922 > 105 107 As 0.04778206839887 0.22076747912576 0.60949081914765 74.922 > 105 108 As 0.54778206839887 0.22076747912576 0.60949081914765 74.922 > 105 109 As 0.45221793160113 0.72076747912576 0.14050918085235 74.922 > 109 110 As 0.95221793160113 0.72076747912576 0.14050918085235 74.922 > 109 111 As 0.45221793160113 0.72076747912576 0.64050918085235 74.922 > 109 112 As 0.95221793160113 0.72076747912576 0.64050918085235 74.922 > 109 113 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 113 114 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 113 115 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 113 116 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 113 117 Ba 0.00000000000000 0.50000000000000 0.25000000000000 137.327 > 117 118 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 117 119 Ba 0.00000000000000 0.50000000000000 0.75000000000000 137.327 > 117 120 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 117 121 Ba 0.28502140243909 0.84277899272806 0.18527546140776 137.327 > 121 122 Ba 0.78502140243909 0.84277899272806 0.18527546140776 137.327 > 121 123 Ba 0.28502140243909 0.84277899272806 0.68527546140776 137.327 > 121 124 Ba 0.78502140243909 0.84277899272806 0.68527546140776 137.327 > 121 125 Ba 0.21497859756091 0.34277899272806 0.06472453859224 137.327 > 125 126 Ba 0.71497859756091 0.34277899272806 0.06472453859224 137.327 > 125 127 Ba 0.21497859756091 0.34277899272806 0.56472453859224 137.327 > 125 128 Ba 0.71497859756091 0.34277899272806 0.56472453859224 137.327 > 125 129 Ba 0.21497859756091 0.15722100727194 0.31472453859224 137.327 > 129 130 Ba 0.71497859756091 0.15722100727194 0.31472453859224 137.327 > 129 131 Ba 0.21497859756091 0.15722100727194 0.81472453859224 137.327 > 129 132 Ba 0.71497859756091 0.15722100727194 0.81472453859224 137.327 > 129 133 Ba 0.28502140243909 0.65722100727194 0.43527546140776 137.327 > 133 134 Ba 0.78502140243909 0.65722100727194 0.43527546140776 137.327 > 133 135 Ba 0.28502140243909 0.65722100727194 0.93527546140776 137.327 > 133 136 Ba 0.78502140243909 0.65722100727194 0.93527546140776 137.327 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.9517385 0.0000000 -1.3136677 0.0000000 12.1897006 0.0000000 -1.3091708 0.0000000 14.6549420 -------------------------- Born effective charges -------------------------- 1 As -0.3697801 -0.0353072 0.1141346 0.2971222 -0.6882281 -0.0524913 0.0354945 -0.2355918 0.1438881 2 As -0.3697801 0.0353072 0.1141346 -0.2971222 -0.6882281 0.0524913 0.0354945 0.2355918 0.1438881 3 As -0.3697801 -0.0353072 0.1141346 0.2971222 -0.6882281 -0.0524913 0.0354945 -0.2355918 0.1438881 4 As -0.3697801 0.0353072 0.1141346 -0.2971222 -0.6882281 0.0524913 0.0354945 0.2355918 0.1438881 5 As 0.0901508 -0.2873646 0.2389814 -0.0478553 -0.0820917 -0.1098037 0.1725615 0.1841360 -0.7493058 6 As 0.0901508 0.2873646 0.2389814 0.0478553 -0.0820917 0.1098037 0.1725615 -0.1841360 -0.7493058 7 As 0.0901508 -0.2873646 0.2389814 -0.0478553 -0.0820917 -0.1098037 0.1725615 0.1841360 -0.7493058 8 As 0.0901508 0.2873646 0.2389814 0.0478553 -0.0820917 0.1098037 0.1725615 -0.1841360 -0.7493058 9 As -0.8816629 -0.5687777 0.1761318 -0.5027798 -1.6313702 0.0830976 0.3768450 0.0500080 -1.5663270 10 As -0.8816629 0.5687777 0.1761318 0.5027798 -1.6313702 -0.0830976 0.3768450 -0.0500080 -1.5663270 11 As -0.8816629 -0.5687777 0.1761318 -0.5027798 -1.6313702 0.0830976 0.3768450 0.0500080 -1.5663270 12 As -0.8816629 0.5687777 0.1761318 0.5027798 -1.6313702 -0.0830976 0.3768450 -0.0500080 -1.5663270 13 As -1.6426352 0.1196613 0.0761212 0.2678265 -1.1404058 -0.3691653 0.3147139 -0.3678356 -1.3232630 14 As -1.6426352 -0.1196613 0.0761212 -0.2678265 -1.1404058 0.3691653 0.3147139 0.3678356 -1.3232630 15 As -1.6426352 0.1196613 0.0761212 0.2678265 -1.1404058 -0.3691653 0.3147139 -0.3678356 -1.3232630 16 As -1.6426352 -0.1196613 0.0761212 -0.2678265 -1.1404058 0.3691653 0.3147139 0.3678356 -1.3232630 17 As -0.4380186 -0.0567117 -0.3811351 -0.3077958 -0.0197573 0.3492538 -0.5848480 0.2645179 -0.5795219 18 As -0.4380186 0.0567117 -0.3811351 0.3077958 -0.0197573 -0.3492538 -0.5848480 -0.2645179 -0.5795219 19 As -0.4380186 -0.0567117 -0.3811351 -0.3077958 -0.0197573 0.3492538 -0.5848480 0.2645179 -0.5795219 20 As -0.4380186 0.0567117 -0.3811351 0.3077958 -0.0197573 -0.3492538 -0.5848480 -0.2645179 -0.5795219 21 As -1.2518490 0.2406396 -0.3834837 0.1753646 -1.4361603 0.2144460 -0.5185212 0.1965358 -1.5334803 22 As -1.2518490 -0.2406396 -0.3834837 -0.1753646 -1.4361603 -0.2144460 -0.5185212 -0.1965358 -1.5334803 23 As -1.2518490 0.2406396 -0.3834837 0.1753646 -1.4361603 0.2144460 -0.5185212 0.1965358 -1.5334803 24 As -1.2518490 -0.2406396 -0.3834837 -0.1753646 -1.4361603 -0.2144460 -0.5185212 -0.1965358 -1.5334803 25 As -0.2591019 -0.4499747 0.2241716 -0.0989613 0.3874906 0.0502925 0.2451557 -0.0904266 0.9107259 26 As -0.2591019 0.4499747 0.2241716 0.0989613 0.3874906 -0.0502925 0.2451557 0.0904266 0.9107259 27 As -0.2591019 -0.4499747 0.2241716 -0.0989613 0.3874906 0.0502925 0.2451557 -0.0904266 0.9107259 28 As -0.2591019 0.4499747 0.2241716 0.0989613 0.3874906 -0.0502925 0.2451557 0.0904266 0.9107259 29 Ba 3.4924072 -0.3053083 -0.7857381 0.0654922 3.7851034 0.9015826 -0.6713704 0.1778276 3.0883576 30 Ba 3.4924072 0.3053083 -0.7857381 -0.0654922 3.7851034 -0.9015826 -0.6713704 -0.1778276 3.0883576 31 Ba 3.0066933 0.3390177 0.3279472 0.5515017 2.7179710 0.1372751 0.2942839 0.0538692 3.1531052 32 Ba 3.0066933 -0.3390177 0.3279472 -0.5515017 2.7179710 -0.1372751 0.2942839 -0.0538692 3.1531052 33 Ba 3.0066933 0.3390177 0.3279472 0.5515017 2.7179710 0.1372751 0.2942839 0.0538692 3.1531052 34 Ba 3.0066933 -0.3390177 0.3279472 -0.5515017 2.7179710 -0.1372751 0.2942839 -0.0538692 3.1531052 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... [ 9 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 295, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 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 0.796 ( 0.000 0.000 0.000) 0.000 0.913 ( 0.000 0.000 0.000) 0.000 0.941 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.434 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 15.186 0.000 2.883) 15.457 0.348 ( 14.593 0.000 7.571) 16.440 0.560 ( 23.545 0.000 12.017) 26.434 0.805 ( 0.431 0.000 1.923) 1.971 0.898 ( 2.090 0.000 -3.960) 4.477 0.969 ( 1.882 0.000 -0.882) 2.079 1.068 ( 0.351 0.000 0.730) 0.810 1.071 ( 2.168 0.000 -2.957) 3.667 1.142 ( -2.694 0.000 1.331) 3.005 1.243 ( -0.503 0.000 -0.693) 0.856 1.301 ( -0.242 0.000 0.002) 0.242 1.315 ( -5.600 0.000 -1.333) 5.756 1.338 ( -1.507 0.000 3.046) 3.399 1.412 ( 3.366 0.000 -7.561) 8.276 1.469 ( -1.404 0.000 1.278) 1.899 1.563 ( 2.535 0.000 -3.539) 4.353 1.593 ( -0.056 0.000 2.802) 2.802 1.603 ( -4.902 0.000 2.379) 5.449 1.712 ( -3.955 0.000 -3.659) 5.388 1.748 ( 3.568 0.000 1.122) 3.740 1.782 ( 0.425 0.000 -3.669) 3.694 1.793 ( 1.982 0.000 -1.629) 2.565 1.802 ( 1.107 0.000 1.215) 1.644 1.848 ( -0.854 0.000 1.897) 2.081 1.901 ( -3.644 0.000 -0.292) 3.656 1.950 ( 3.125 0.000 4.164) 5.206 1.987 ( 1.670 0.000 -1.194) 2.053 2.063 ( 2.317 0.000 3.949) 4.578 2.145 ( -1.988 0.000 -1.397) 2.429 2.149 ( 5.886 0.000 2.243) 6.299 2.202 ( 1.203 0.000 1.223) 1.716 2.323 ( 1.700 0.000 2.236) 2.808 2.373 ( 0.226 0.000 -0.149) 0.270 2.440 ( 0.572 0.000 -2.002) 2.082 2.468 ( -3.406 0.000 0.696) 3.476 2.483 ( -1.763 0.000 -0.887) 1.974 2.552 ( -0.595 0.000 -1.867) 1.960 2.577 ( -3.346 0.000 -1.379) 3.620 2.615 ( 0.196 0.000 0.689) 0.716 2.652 ( -4.216 0.000 -3.613) 5.553 2.720 ( -0.628 0.000 0.843) 1.051 2.815 ( -2.155 0.000 -2.446) 3.260 3.507 ( 0.688 0.000 0.857) 1.099 3.535 ( 0.321 0.000 0.328) 0.458 3.583 ( 0.337 0.000 0.369) 0.499 3.712 ( 0.475 0.000 -1.528) 1.600 3.951 ( -0.785 0.000 -0.959) 1.239 3.983 ( -0.724 0.000 -1.280) 1.471 4.034 ( -0.056 0.000 -0.636) 0.639 4.038 ( -0.392 0.000 0.628) 0.740 4.119 ( 0.127 0.000 -0.246) 0.277 4.142 ( -1.201 0.000 -0.293) 1.236 4.162 ( 1.359 0.000 -0.798) 1.576 4.183 ( 1.360 0.000 -0.805) 1.580 4.188 ( 1.101 0.000 1.107) 1.562 4.241 ( -2.146 0.000 0.905) 2.329 4.272 ( 0.591 0.000 4.870) 4.906 4.314 ( 2.650 0.000 1.942) 3.286 4.333 ( -3.118 0.000 2.199) 3.816 4.347 ( -2.530 0.000 -0.074) 2.531 4.432 ( -1.970 0.000 -1.454) 2.448 4.502 ( -2.580 0.000 -1.040) 2.782 4.754 ( -0.044 0.000 0.230) 0.234 4.758 ( 0.568 0.000 -0.677) 0.884 4.808 ( 1.105 0.000 -0.021) 1.105 4.834 ( 0.101 0.000 0.027) 0.105 4.884 ( 0.200 0.000 -2.204) 2.213 4.908 ( -0.791 0.000 -1.323) 1.541 4.940 ( -0.003 0.000 2.864) 2.864 4.973 ( -1.062 0.000 1.928) 2.201 5.431 ( 0.195 0.000 -0.893) 0.914 5.457 ( 0.267 0.000 0.878) 0.918 5.468 ( 0.333 0.000 -0.291) 0.442 5.497 ( -0.215 0.000 0.715) 0.746 6.403 ( 0.141 0.000 0.604) 0.620 6.413 ( 0.237 0.000 0.555) 0.604 6.422 ( -0.570 0.000 -0.675) 0.884 6.437 ( -0.125 0.000 -0.122) 0.174 6.676 ( 1.084 0.000 -0.067) 1.086 6.688 ( 1.443 0.000 0.332) 1.481 6.692 ( 0.161 0.000 -0.388) 0.420 6.728 ( 1.259 0.000 -0.038) 1.259 6.735 ( 0.334 0.000 0.246) 0.415 6.774 ( 0.319 0.000 -0.059) 0.324 6.784 ( 0.441 0.000 -0.318) 0.543 6.799 ( -0.409 0.000 0.874) 0.965 6.881 ( -0.118 0.000 -0.059) 0.132 6.897 ( 0.271 0.000 0.214) 0.345 6.901 ( 0.184 0.000 0.342) 0.388 6.919 ( 0.181 0.000 -0.013) 0.182 7.205 ( -0.542 0.000 -0.118) 0.555 7.206 ( -0.947 0.000 0.274) 0.986 7.227 ( -0.340 0.000 -0.597) 0.687 7.231 ( -0.200 0.000 -0.196) 0.280 7.316 ( -0.036 0.000 -1.156) 1.156 7.316 ( 0.256 0.000 -0.875) 0.912 7.347 ( 0.059 0.000 1.212) 1.214 7.351 ( 0.749 0.000 0.382) 0.841 7.520 ( -0.218 0.000 -0.180) 0.283 7.541 ( -0.275 0.000 0.096) 0.291 7.634 ( -0.092 0.000 -0.601) 0.608 7.648 ( -0.267 0.000 0.754) 0.800 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 11.618 0.000 0.883) 11.651 0.618 ( 9.424 0.000 4.615) 10.494 0.854 ( 3.459 0.000 0.945) 3.586 0.905 ( 2.169 0.000 -3.291) 3.941 0.956 ( 6.122 0.000 3.972) 7.298 0.996 ( 6.844 0.000 2.680) 7.350 1.087 ( 0.165 0.000 -1.322) 1.332 1.094 ( 0.177 0.000 -2.847) 2.852 1.173 ( 4.922 0.000 3.600) 6.098 1.191 ( -1.596 0.000 0.816) 1.793 1.286 ( 4.864 0.000 -1.383) 5.057 1.294 ( -1.280 0.000 1.847) 2.247 1.333 ( 2.645 0.000 -5.391) 6.004 1.376 ( 0.063 0.000 -0.290) 0.296 1.456 ( -0.043 0.000 0.451) 0.453 1.542 ( -0.884 0.000 -3.738) 3.841 1.547 ( -1.983 0.000 -0.588) 2.069 1.606 ( -0.445 0.000 -0.956) 1.054 1.651 ( 0.355 0.000 -1.678) 1.715 1.736 ( -5.099 0.000 1.706) 5.377 1.773 ( 1.493 0.000 -2.156) 2.623 1.810 ( -3.608 0.000 2.375) 4.319 1.841 ( -1.599 0.000 4.021) 4.327 1.871 ( 4.535 0.000 -1.205) 4.692 1.874 ( 4.486 0.000 -1.679) 4.790 1.953 ( -3.768 0.000 -2.507) 4.526 2.081 ( 4.480 0.000 4.275) 6.192 2.105 ( -0.547 0.000 0.184) 0.577 2.147 ( 2.688 0.000 4.046) 4.857 2.226 ( -0.884 0.000 0.025) 0.884 2.258 ( 2.693 0.000 1.706) 3.188 2.324 ( -1.258 0.000 -5.196) 5.346 2.355 ( -3.408 0.000 1.156) 3.599 2.406 ( 1.967 0.000 -1.374) 2.400 2.428 ( -4.690 0.000 -0.394) 4.706 2.461 ( -1.689 0.000 -4.646) 4.943 2.487 ( -0.756 0.000 3.705) 3.782 2.548 ( -0.867 0.000 0.939) 1.278 2.550 ( -4.335 0.000 -0.806) 4.409 2.608 ( -2.653 0.000 5.066) 5.718 2.744 ( 1.663 0.000 1.324) 2.126 2.751 ( -2.122 0.000 -2.051) 2.951 3.530 ( 0.476 0.000 1.359) 1.440 3.549 ( 0.588 0.000 0.747) 0.950 3.599 ( 0.997 0.000 0.561) 1.145 3.701 ( 0.379 0.000 -1.558) 1.603 3.922 ( -0.992 0.000 -1.468) 1.772 3.956 ( -0.952 0.000 -1.132) 1.479 4.017 ( -0.728 0.000 -0.851) 1.120 4.033 ( -0.850 0.000 0.404) 0.941 4.105 ( -1.583 0.000 0.022) 1.583 4.115 ( -2.103 0.000 0.797) 2.249 4.176 ( 1.405 0.000 -1.008) 1.729 4.197 ( -0.512 0.000 -0.366) 0.629 4.212 ( -1.237 0.000 0.592) 1.371 4.223 ( 0.625 0.000 1.148) 1.307 4.286 ( -3.698 0.000 0.230) 3.705 4.306 ( -1.703 0.000 -0.195) 1.714 4.340 ( 1.650 0.000 3.447) 3.822 4.351 ( -3.721 0.000 -3.513) 5.117 4.409 ( 3.507 0.000 4.177) 5.454 4.435 ( -3.105 0.000 -2.232) 3.824 4.762 ( 0.401 0.000 0.490) 0.633 4.763 ( 1.219 0.000 -0.845) 1.483 4.819 ( 0.536 0.000 -0.739) 0.913 4.836 ( -0.003 0.000 -0.084) 0.084 4.870 ( 0.396 0.000 -0.936) 1.017 4.887 ( 0.195 0.000 -0.830) 0.853 4.972 ( 0.051 0.000 2.660) 2.661 4.973 ( -0.973 0.000 0.997) 1.393 5.426 ( 0.365 0.000 -0.798) 0.878 5.471 ( 0.293 0.000 0.664) 0.726 5.472 ( 0.538 0.000 -0.309) 0.621 5.500 ( -0.164 0.000 0.264) 0.311 6.402 ( -0.773 0.000 -0.844) 1.145 6.415 ( 0.248 0.000 0.915) 0.948 6.426 ( 0.370 0.000 0.848) 0.925 6.429 ( -0.453 0.000 -0.405) 0.608 6.697 ( 1.364 0.000 -0.061) 1.366 6.698 ( 0.845 0.000 -0.148) 0.858 6.717 ( 1.269 0.000 0.374) 1.323 6.746 ( 1.291 0.000 -0.506) 1.387 6.752 ( 1.564 0.000 0.436) 1.624 6.777 ( 0.665 0.000 -0.689) 0.958 6.793 ( 0.767 0.000 -0.035) 0.768 6.804 ( 0.229 0.000 0.181) 0.292 6.878 ( -0.147 0.000 -0.102) 0.178 6.905 ( 0.333 0.000 0.286) 0.439 6.909 ( 0.326 0.000 0.269) 0.423 6.923 ( 0.303 0.000 -0.055) 0.307 7.190 ( -1.433 0.000 0.342) 1.473 7.191 ( -0.991 0.000 -0.113) 0.997 7.209 ( -0.900 0.000 -0.520) 1.039 7.221 ( -0.666 0.000 -0.326) 0.742 7.307 ( 0.456 0.000 -1.066) 1.159 7.315 ( 0.573 0.000 -0.520) 0.774 7.362 ( 0.067 0.000 1.163) 1.165 7.366 ( 0.837 0.000 0.116) 0.845 7.514 ( -0.218 0.000 -0.257) 0.337 7.537 ( -0.264 0.000 0.036) 0.266 7.625 ( -0.165 0.000 -0.501) 0.527 7.650 ( -0.560 0.000 0.700) 0.897 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -2.485 0.000 -4.781) 5.389 0.704 ( 8.358 0.000 -0.287) 8.363 0.874 ( -2.723 0.000 1.203) 2.977 0.903 ( 1.521 0.000 2.149) 2.633 1.027 ( 1.669 0.000 2.673) 3.152 1.036 ( -2.579 0.000 -6.483) 6.977 1.047 ( 0.036 0.000 -2.590) 2.590 1.115 ( 6.543 0.000 -2.289) 6.932 1.219 ( 4.444 0.000 2.293) 5.001 1.279 ( 1.423 0.000 3.020) 3.338 1.328 ( 1.516 0.000 3.252) 3.588 1.368 ( 2.113 0.000 -1.480) 2.579 1.369 ( 4.152 0.000 -2.358) 4.775 1.436 ( 10.700 0.000 -0.351) 10.706 1.473 ( -1.148 0.000 -2.591) 2.834 1.529 ( 1.978 0.000 -2.671) 3.323 1.542 ( 6.517 0.000 2.114) 6.852 1.571 ( -2.769 0.000 0.780) 2.877 1.637 ( -2.124 0.000 -0.463) 2.174 1.689 ( -0.092 0.000 0.281) 0.295 1.716 ( -6.522 0.000 -0.688) 6.559 1.789 ( -1.266 0.000 0.995) 1.610 1.845 ( -3.505 0.000 2.901) 4.550 1.876 ( -2.305 0.000 0.380) 2.336 1.911 ( 1.979 0.000 -0.677) 2.092 1.956 ( 5.828 0.000 -1.570) 6.036 2.095 ( -4.989 0.000 -5.006) 7.068 2.137 ( 1.007 0.000 -0.249) 1.038 2.163 ( 0.867 0.000 -1.553) 1.778 2.181 ( -0.228 0.000 2.157) 2.169 2.274 ( -0.517 0.000 1.020) 1.144 2.275 ( -5.528 0.000 -6.699) 8.685 2.282 ( -2.661 0.000 -0.319) 2.680 2.367 ( -2.763 0.000 5.126) 5.823 2.422 ( -0.561 0.000 -2.944) 2.998 2.440 ( 2.224 0.000 4.355) 4.890 2.515 ( 1.638 0.000 0.519) 1.718 2.524 ( -0.798 0.000 3.437) 3.528 2.539 ( -1.850 0.000 0.699) 1.977 2.683 ( 2.006 0.000 7.291) 7.562 2.710 ( -1.066 0.000 -0.472) 1.166 2.792 ( 2.150 0.000 1.396) 2.563 3.552 ( 0.261 0.000 1.504) 1.527 3.566 ( 0.331 0.000 0.637) 0.717 3.625 ( 1.198 0.000 0.546) 1.317 3.692 ( 0.671 0.000 -1.389) 1.543 3.890 ( -0.796 0.000 -1.451) 1.655 3.925 ( -1.214 0.000 -1.053) 1.607 4.001 ( 0.118 0.000 -0.851) 0.859 4.021 ( -0.985 0.000 0.221) 1.009 4.072 ( -2.619 0.000 0.390) 2.647 4.097 ( -1.757 0.000 1.597) 2.375 4.147 ( -3.643 0.000 -1.556) 3.962 4.176 ( -0.236 0.000 -1.320) 1.341 4.213 ( -1.686 0.000 -1.185) 2.061 4.218 ( -2.128 0.000 -1.727) 2.741 4.222 ( -1.019 0.000 -0.215) 1.042 4.239 ( -1.725 0.000 0.461) 1.786 4.319 ( 0.448 0.000 -0.421) 0.615 4.357 ( -2.998 0.000 -2.216) 3.728 4.414 ( 2.165 0.000 3.141) 3.815 4.497 ( 2.362 0.000 2.399) 3.367 4.774 ( 0.398 0.000 0.184) 0.438 4.778 ( 1.572 0.000 -0.749) 1.741 4.812 ( -0.173 0.000 -0.585) 0.610 4.830 ( -0.343 0.000 -0.337) 0.480 4.878 ( 0.610 0.000 0.699) 0.928 4.895 ( 1.076 0.000 -0.216) 1.098 4.967 ( -0.726 0.000 0.571) 0.924 4.999 ( -0.011 0.000 1.850) 1.850 5.425 ( 0.427 0.000 -0.487) 0.648 5.477 ( 0.439 0.000 -0.291) 0.527 5.481 ( 0.178 0.000 0.375) 0.415 5.498 ( -0.218 0.000 -0.047) 0.223 6.381 ( -0.688 0.000 -0.696) 0.978 6.416 ( -0.478 0.000 -0.405) 0.627 6.430 ( 0.284 0.000 0.931) 0.973 6.441 ( 0.291 0.000 0.654) 0.715 6.712 ( 0.547 0.000 -0.006) 0.547 6.712 ( 0.931 0.000 0.066) 0.933 6.735 ( 0.874 0.000 0.006) 0.874 6.758 ( 0.805 0.000 -0.400) 0.899 6.783 ( 0.986 0.000 -0.718) 1.220 6.791 ( 2.115 0.000 0.535) 2.182 6.802 ( 0.586 0.000 -0.375) 0.696 6.810 ( 0.376 0.000 -0.048) 0.379 6.875 ( -0.127 0.000 -0.092) 0.157 6.913 ( 0.239 0.000 0.201) 0.312 6.916 ( 0.262 0.000 0.080) 0.274 6.927 ( 0.312 0.000 -0.069) 0.319 7.169 ( -1.328 0.000 0.131) 1.334 7.173 ( -1.006 0.000 0.062) 1.008 7.192 ( -0.672 0.000 -0.043) 0.673 7.203 ( -0.951 0.000 -0.387) 1.027 7.304 ( 0.325 0.000 -0.807) 0.870 7.322 ( 0.691 0.000 -0.056) 0.693 7.374 ( 0.079 0.000 0.814) 0.818 7.381 ( 0.783 0.000 0.088) 0.788 7.508 ( -0.099 0.000 -0.221) 0.243 7.533 ( -0.138 0.000 -0.119) 0.182 7.618 ( -0.107 0.000 -0.397) 0.411 7.646 ( -0.656 0.000 0.426) 0.782 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -2.260 0.000 -1.820) 2.902 0.803 ( 3.924 0.000 -0.432) 3.948 0.833 ( -1.994 0.000 0.229) 2.007 0.866 ( -2.838 0.000 -5.195) 5.919 0.988 ( -0.522 0.000 2.352) 2.409 1.031 ( 1.222 0.000 -2.424) 2.715 1.064 ( 0.405 0.000 0.835) 0.928 1.197 ( 7.372 0.000 -3.317) 8.084 1.265 ( -5.002 0.000 4.372) 6.643 1.313 ( -0.093 0.000 -0.505) 0.514 1.389 ( 3.967 0.000 -1.638) 4.292 1.399 ( 3.896 0.000 1.245) 4.090 1.408 ( 1.915 0.000 2.956) 3.522 1.471 ( 1.077 0.000 -1.308) 1.695 1.522 ( -3.923 0.000 -1.104) 4.075 1.527 ( 3.148 0.000 -3.554) 4.747 1.558 ( -1.810 0.000 2.535) 3.115 1.580 ( -2.132 0.000 -0.826) 2.286 1.644 ( 4.513 0.000 1.205) 4.671 1.695 ( 4.237 0.000 3.565) 5.537 1.727 ( 2.788 0.000 -0.433) 2.822 1.767 ( -6.943 0.000 -0.711) 6.979 1.786 ( 0.373 0.000 0.089) 0.383 1.836 ( -3.570 0.000 -0.485) 3.602 1.956 ( 0.113 0.000 -0.471) 0.484 1.962 ( 3.700 0.000 1.587) 4.026 2.059 ( 2.475 0.000 -2.321) 3.393 2.086 ( -5.493 0.000 -5.128) 7.515 2.105 ( -3.005 0.000 -2.354) 3.817 2.174 ( 1.335 0.000 0.724) 1.519 2.202 ( -0.052 0.000 0.228) 0.234 2.237 ( -3.030 0.000 0.243) 3.039 2.264 ( -1.724 0.000 1.817) 2.505 2.393 ( -0.029 0.000 2.506) 2.506 2.400 ( 0.629 0.000 -1.168) 1.327 2.508 ( -1.850 0.000 0.167) 1.857 2.512 ( 0.909 0.000 1.143) 1.461 2.554 ( 1.931 0.000 0.772) 2.079 2.554 ( 0.324 0.000 1.294) 1.334 2.702 ( -0.070 0.000 0.279) 0.288 2.789 ( 1.266 0.000 5.161) 5.314 2.830 ( 1.297 0.000 -0.660) 1.455 3.568 ( 0.059 0.000 0.657) 0.660 3.571 ( -0.055 0.000 0.101) 0.115 3.644 ( 0.507 0.000 0.225) 0.554 3.691 ( 0.432 0.000 -0.656) 0.785 3.868 ( -0.298 0.000 -0.630) 0.697 3.901 ( -0.461 0.000 -0.420) 0.623 3.998 ( 0.288 0.000 -0.504) 0.580 4.010 ( -0.509 0.000 0.079) 0.515 4.039 ( -1.493 0.000 0.197) 1.506 4.061 ( -2.537 0.000 -1.810) 3.116 4.092 ( -0.678 0.000 0.930) 1.151 4.149 ( -0.786 0.000 -0.618) 1.000 4.165 ( -0.616 0.000 -0.536) 0.816 4.213 ( -0.092 0.000 -0.153) 0.179 4.214 ( -0.579 0.000 0.129) 0.593 4.224 ( -0.476 0.000 0.015) 0.477 4.307 ( -1.119 0.000 0.657) 1.298 4.319 ( 0.395 0.000 -1.634) 1.681 4.466 ( 0.949 0.000 1.247) 1.567 4.537 ( 0.711 0.000 0.574) 0.914 4.778 ( 0.117 0.000 -0.103) 0.155 4.795 ( 1.217 0.000 -0.399) 1.280 4.807 ( -0.070 0.000 -0.045) 0.083 4.819 ( -0.710 0.000 -0.059) 0.712 4.896 ( 0.360 0.000 0.580) 0.683 4.907 ( 0.495 0.000 -0.043) 0.497 4.964 ( -0.240 0.000 0.213) 0.321 5.012 ( -0.050 0.000 0.626) 0.628 5.428 ( 0.214 0.000 -0.133) 0.252 5.479 ( 0.159 0.000 -0.132) 0.207 5.485 ( 0.051 0.000 0.122) 0.133 5.494 ( -0.107 0.000 -0.072) 0.129 6.367 ( -0.276 0.000 -0.270) 0.386 6.407 ( -0.198 0.000 -0.162) 0.256 6.443 ( 0.199 0.000 0.579) 0.612 6.448 ( 0.040 0.000 0.060) 0.072 6.717 ( 0.074 0.000 0.014) 0.076 6.726 ( 0.433 0.000 0.118) 0.449 6.746 ( 0.379 0.000 -0.082) 0.388 6.763 ( 0.225 0.000 -0.140) 0.265 6.790 ( 0.499 0.000 -0.285) 0.574 6.804 ( 0.188 0.000 -0.327) 0.377 6.813 ( 0.142 0.000 0.010) 0.142 6.822 ( 0.925 0.000 0.181) 0.943 6.872 ( -0.049 0.000 -0.029) 0.057 6.917 ( 0.079 0.000 0.061) 0.100 6.919 ( 0.109 0.000 0.001) 0.109 6.931 ( 0.141 0.000 -0.035) 0.146 7.154 ( -0.555 0.000 0.007) 0.555 7.162 ( -0.424 0.000 0.104) 0.436 7.186 ( -0.450 0.000 -0.183) 0.486 7.186 ( -0.208 0.000 0.110) 0.235 7.300 ( 0.055 0.000 -0.345) 0.349 7.332 ( 0.317 0.000 0.061) 0.323 7.382 ( 0.045 0.000 0.297) 0.300 7.391 ( 0.348 0.000 0.055) 0.353 7.506 ( -0.019 0.000 -0.087) 0.089 7.530 ( -0.050 0.000 -0.100) 0.112 7.614 ( -0.018 0.000 -0.163) 0.164 7.640 ( -0.320 0.000 0.131) 0.346 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 15.065 0.000) 15.065 0.353 ( 0.000 18.575 0.000) 18.575 0.517 ( 0.000 25.862 0.000) 25.862 0.746 ( 0.000 -10.012 0.000) 10.012 0.830 ( 0.000 3.464 0.000) 3.464 0.922 ( 0.000 -9.088 0.000) 9.088 1.098 ( 0.000 -3.901 0.000) 3.901 1.111 ( 0.000 2.819 0.000) 2.819 1.126 ( 0.000 -3.433 0.000) 3.433 1.220 ( 0.000 3.458 0.000) 3.458 1.272 ( 0.000 -3.305 0.000) 3.305 1.341 ( 0.000 -1.622 0.000) 1.622 1.351 ( 0.000 -0.757 0.000) 0.757 1.441 ( 0.000 3.149 0.000) 3.149 1.463 ( 0.000 -3.491 0.000) 3.491 1.548 ( 0.000 -1.958 0.000) 1.958 1.591 ( 0.000 0.302 0.000) 0.302 1.668 ( 0.000 1.288 0.000) 1.288 1.695 ( 0.000 -7.351 0.000) 7.351 1.710 ( 0.000 4.939 0.000) 4.939 1.733 ( 0.000 -1.654 0.000) 1.654 1.779 ( 0.000 -4.885 0.000) 4.885 1.800 ( 0.000 -0.316 0.000) 0.316 1.826 ( 0.000 -1.077 0.000) 1.077 1.866 ( 0.000 -1.783 0.000) 1.783 1.937 ( 0.000 -0.262 0.000) 0.262 1.973 ( 0.000 1.828 0.000) 1.828 2.013 ( 0.000 -0.115 0.000) 0.115 2.129 ( 0.000 0.774 0.000) 0.774 2.157 ( 0.000 5.782 0.000) 5.782 2.215 ( 0.000 -0.337 0.000) 0.337 2.289 ( 0.000 -0.628 0.000) 0.628 2.355 ( 0.000 0.030 0.000) 0.030 2.367 ( 0.000 -0.826 0.000) 0.826 2.499 ( 0.000 -0.999 0.000) 0.999 2.513 ( 0.000 2.060 0.000) 2.060 2.568 ( 0.000 0.369 0.000) 0.369 2.584 ( 0.000 -0.289 0.000) 0.289 2.690 ( 0.000 0.673 0.000) 0.673 2.774 ( 0.000 2.640 0.000) 2.640 2.782 ( 0.000 -1.060 0.000) 1.060 2.851 ( 0.000 -1.191 0.000) 1.191 3.502 ( 0.000 0.757 0.000) 0.757 3.529 ( 0.000 -0.288 0.000) 0.288 3.606 ( 0.000 1.427 0.000) 1.427 3.686 ( 0.000 -1.837 0.000) 1.837 3.975 ( 0.000 1.154 0.000) 1.154 4.004 ( 0.000 0.353 0.000) 0.353 4.024 ( 0.000 -0.174 0.000) 0.174 4.034 ( 0.000 -1.068 0.000) 1.068 4.121 ( 0.000 0.589 0.000) 0.589 4.145 ( 0.000 -0.198 0.000) 0.198 4.178 ( 0.000 0.078 0.000) 0.078 4.193 ( 0.000 -0.567 0.000) 0.567 4.194 ( 0.000 0.391 0.000) 0.391 4.228 ( 0.000 -0.994 0.000) 0.994 4.263 ( 0.000 0.713 0.000) 0.713 4.283 ( 0.000 -0.340 0.000) 0.340 4.330 ( 0.000 1.681 0.000) 1.681 4.404 ( 0.000 -1.760 0.000) 1.760 4.455 ( 0.000 0.233 0.000) 0.233 4.459 ( 0.000 0.266 0.000) 0.266 4.745 ( 0.000 0.100 0.000) 0.100 4.781 ( 0.000 1.573 0.000) 1.573 4.783 ( 0.000 -1.258 0.000) 1.258 4.828 ( 0.000 -0.707 0.000) 0.707 4.903 ( 0.000 -0.253 0.000) 0.253 4.908 ( 0.000 -0.291 0.000) 0.291 4.936 ( 0.000 0.755 0.000) 0.755 4.952 ( 0.000 -0.111 0.000) 0.111 5.438 ( 0.000 0.079 0.000) 0.079 5.445 ( 0.000 -0.247 0.000) 0.247 5.471 ( 0.000 0.323 0.000) 0.323 5.482 ( 0.000 -0.168 0.000) 0.168 6.400 ( 0.000 0.146 0.000) 0.146 6.406 ( 0.000 -0.135 0.000) 0.135 6.436 ( 0.000 0.220 0.000) 0.220 6.448 ( 0.000 -0.260 0.000) 0.260 6.669 ( 0.000 0.215 0.000) 0.215 6.672 ( 0.000 0.132 0.000) 0.132 6.702 ( 0.000 -0.176 0.000) 0.176 6.707 ( 0.000 -0.450 0.000) 0.450 6.739 ( 0.000 0.708 0.000) 0.708 6.758 ( 0.000 -0.059 0.000) 0.059 6.775 ( 0.000 0.342 0.000) 0.342 6.785 ( 0.000 -0.113 0.000) 0.113 6.885 ( 0.000 0.256 0.000) 0.256 6.900 ( 0.000 0.305 0.000) 0.305 6.900 ( 0.000 -0.389 0.000) 0.389 6.915 ( 0.000 -0.313 0.000) 0.313 7.210 ( 0.000 0.026 0.000) 0.026 7.212 ( 0.000 -0.054 0.000) 0.054 7.230 ( 0.000 0.141 0.000) 0.141 7.243 ( 0.000 -0.386 0.000) 0.386 7.323 ( 0.000 0.158 0.000) 0.158 7.331 ( 0.000 -0.179 0.000) 0.179 7.333 ( 0.000 0.045 0.000) 0.045 7.337 ( 0.000 -0.083 0.000) 0.083 7.527 ( 0.000 0.359 0.000) 0.359 7.541 ( 0.000 -0.245 0.000) 0.245 7.640 ( 0.000 -0.036 0.000) 0.036 7.641 ( 0.000 -0.096 0.000) 0.096 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 8.334 8.887 6.554) 13.834 0.439 ( 10.006 11.346 2.581) 15.346 0.732 ( 8.588 3.373 -0.511) 9.241 0.794 ( 8.986 2.734 2.629) 9.754 0.818 ( -2.433 -1.256 4.268) 5.071 0.947 ( 5.368 -6.343 -1.647) 8.471 1.067 ( -0.909 -0.147 -0.088) 0.925 1.119 ( 2.335 2.878 -2.400) 4.415 1.133 ( -0.114 -0.980 1.698) 1.963 1.215 ( -1.077 2.540 0.807) 2.874 1.270 ( -0.057 -1.519 -1.900) 2.433 1.324 ( -1.241 0.292 -1.263) 1.795 1.370 ( 0.900 0.283 1.153) 1.490 1.422 ( 1.645 2.149 -5.808) 6.408 1.479 ( 1.618 -4.460 -0.391) 4.761 1.513 ( -1.092 1.814 -0.676) 2.223 1.609 ( -3.376 -0.585 2.461) 4.219 1.616 ( -2.004 -3.874 -5.728) 7.200 1.680 ( -0.784 1.559 1.471) 2.282 1.699 ( 1.317 -2.935 1.484) 3.543 1.756 ( -0.445 -3.633 -1.326) 3.893 1.777 ( -0.616 0.139 -0.299) 0.699 1.818 ( -0.922 -0.740 1.041) 1.575 1.849 ( 1.887 2.704 4.140) 5.292 1.901 ( 2.283 -6.165 3.721) 7.554 1.943 ( 2.323 2.589 -3.673) 5.059 1.998 ( 1.865 0.738 0.419) 2.049 2.063 ( 2.076 -3.879 3.500) 5.622 2.102 ( -1.552 2.411 1.324) 3.158 2.145 ( 0.329 1.343 -0.165) 1.393 2.235 ( 0.231 1.344 1.104) 1.755 2.293 ( -0.430 -3.685 0.501) 3.744 2.374 ( 3.170 -0.371 0.151) 3.195 2.394 ( -1.070 -1.797 0.448) 2.139 2.466 ( -1.205 2.258 -0.006) 2.560 2.531 ( -1.765 1.174 1.644) 2.683 2.551 ( -0.778 -0.033 -1.915) 2.067 2.563 ( -0.906 -0.752 -1.942) 2.271 2.656 ( -3.748 1.787 -0.256) 4.160 2.686 ( -4.633 2.652 -2.389) 5.848 2.750 ( -1.282 2.319 -1.445) 3.018 2.815 ( -2.195 -0.491 -2.197) 3.144 3.513 ( 0.572 0.485 0.718) 1.038 3.531 ( 0.195 -0.288 0.284) 0.449 3.604 ( 0.217 1.833 0.017) 1.846 3.688 ( 0.573 -2.123 -0.941) 2.391 3.961 ( -0.842 1.011 -0.949) 1.622 3.987 ( -0.764 0.345 -1.333) 1.575 4.016 ( -0.435 -0.903 -0.609) 1.173 4.035 ( -0.937 -0.940 0.994) 1.658 4.127 ( -0.008 0.688 -0.016) 0.689 4.145 ( -0.819 0.069 -0.531) 0.979 4.174 ( 0.096 0.559 -1.394) 1.505 4.178 ( 0.697 -0.067 -0.299) 0.762 4.202 ( 1.342 0.902 1.119) 1.966 4.233 ( -0.744 -0.768 2.282) 2.520 4.287 ( 0.789 1.230 3.273) 3.585 4.313 ( 1.916 -0.104 1.410) 2.381 4.325 ( -1.811 0.041 1.116) 2.127 4.357 ( -3.451 0.122 -0.067) 3.454 4.435 ( -1.949 0.284 -1.392) 2.412 4.470 ( -0.998 -2.179 -0.528) 2.454 4.749 ( 0.595 0.251 -0.157) 0.664 4.779 ( -0.101 0.930 0.189) 0.954 4.795 ( 1.381 -0.751 -0.684) 1.714 4.830 ( 0.192 -0.611 0.086) 0.646 4.887 ( 0.119 0.246 -1.865) 1.885 4.899 ( -0.271 -0.468 -1.401) 1.502 4.946 ( -0.187 0.489 2.350) 2.408 4.967 ( -0.607 -0.507 1.792) 1.958 5.434 ( 0.228 0.285 -0.733) 0.818 5.451 ( 0.293 -0.522 0.256) 0.651 5.474 ( 0.281 0.437 0.158) 0.543 5.490 ( 0.183 -0.512 0.623) 0.827 6.404 ( 0.113 0.127 0.547) 0.573 6.411 ( 0.199 -0.167 0.496) 0.560 6.427 ( -0.555 0.385 -0.601) 0.904 6.438 ( -0.398 -0.024 -0.294) 0.496 6.678 ( 1.081 0.268 -0.041) 1.114 6.687 ( 1.391 -0.058 0.274) 1.419 6.697 ( 0.310 0.436 -0.399) 0.667 6.721 ( 1.175 -0.636 -0.065) 1.337 6.743 ( 0.366 0.650 0.206) 0.774 6.767 ( 0.381 -0.696 0.215) 0.822 6.783 ( 0.501 0.118 -0.080) 0.520 6.790 ( 0.501 -0.267 0.461) 0.731 6.884 ( -0.078 0.296 -0.036) 0.308 6.898 ( 0.029 -0.150 -0.015) 0.153 6.904 ( 0.152 0.261 0.330) 0.447 6.916 ( 0.194 -0.279 0.019) 0.340 7.205 ( -0.668 0.034 0.038) 0.670 7.206 ( -0.679 0.021 0.092) 0.686 7.224 ( -0.521 -0.023 -0.340) 0.623 7.233 ( -0.561 -0.140 -0.490) 0.757 7.316 ( 0.039 0.026 -1.138) 1.139 7.316 ( 0.238 0.023 -0.960) 0.989 7.347 ( 0.156 0.022 1.127) 1.138 7.350 ( 0.642 -0.084 0.552) 0.851 7.524 ( -0.232 0.374 -0.135) 0.460 7.539 ( -0.281 -0.233 0.041) 0.367 7.635 ( -0.110 0.143 -0.372) 0.414 7.645 ( -0.241 -0.278 0.600) 0.703 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 8.616 5.648 2.348) 10.566 0.640 ( 9.809 3.380 2.775) 10.739 0.793 ( 2.066 -4.500 0.155) 4.954 0.873 ( 6.207 -2.793 1.192) 6.910 0.939 ( 5.705 -1.212 -0.790) 5.886 1.020 ( 3.469 -2.119 -0.759) 4.135 1.082 ( -3.832 0.275 -0.055) 3.843 1.154 ( 5.468 -2.524 0.488) 6.043 1.169 ( 2.231 5.071 -1.648) 5.780 1.201 ( -2.481 3.563 2.371) 4.947 1.272 ( 3.295 0.889 -0.933) 3.538 1.315 ( 1.747 1.544 0.316) 2.353 1.357 ( 1.992 -0.994 -3.930) 4.517 1.397 ( 2.752 4.075 -2.965) 5.742 1.477 ( -1.412 -1.723 -0.062) 2.229 1.506 ( 0.674 -1.418 -3.529) 3.863 1.541 ( -0.980 -1.965 -0.185) 2.203 1.563 ( -0.783 1.861 0.153) 2.024 1.690 ( -4.290 -2.920 1.183) 5.323 1.717 ( 1.545 4.242 0.254) 4.521 1.763 ( -0.320 -1.283 -0.713) 1.502 1.774 ( 3.486 -4.219 -0.269) 5.480 1.813 ( -1.920 -2.201 1.787) 3.424 1.880 ( -1.329 5.031 2.611) 5.822 1.948 ( -2.118 -1.460 -0.221) 2.582 1.961 ( 2.959 3.703 -1.302) 4.916 2.043 ( 2.668 -4.536 3.903) 6.552 2.094 ( -1.007 -0.389 0.261) 1.111 2.148 ( 2.101 -4.459 3.113) 5.830 2.180 ( 2.859 2.332 2.085) 4.238 2.242 ( -2.120 -4.167 0.009) 4.675 2.289 ( 0.324 -1.434 0.265) 1.494 2.369 ( -0.538 -0.091 -1.029) 1.165 2.411 ( -2.331 2.120 -0.647) 3.217 2.428 ( -1.969 0.089 -1.590) 2.533 2.473 ( -1.472 1.307 -3.388) 3.919 2.494 ( -2.614 -0.179 2.204) 3.424 2.545 ( -1.211 -0.531 -0.063) 1.323 2.591 ( -3.314 3.203 -0.657) 4.655 2.631 ( -2.803 1.668 3.541) 4.814 2.736 ( 0.155 0.154 -0.609) 0.647 2.763 ( -0.851 0.259 -0.273) 0.930 3.532 ( 0.462 0.247 1.206) 1.314 3.544 ( 0.502 -0.392 0.835) 1.050 3.616 ( 0.978 1.535 0.185) 1.830 3.685 ( 0.648 -1.595 -1.283) 2.147 3.933 ( -0.964 1.052 -1.302) 1.932 3.957 ( -0.913 0.166 -1.362) 1.648 3.998 ( -0.678 -1.179 -0.794) 1.574 4.026 ( -1.417 -1.164 0.910) 2.047 4.111 ( -1.800 0.354 0.236) 1.849 4.117 ( -1.890 0.143 0.363) 1.930 4.177 ( 0.693 0.191 -0.673) 0.985 4.192 ( 0.549 -0.526 -0.176) 0.781 4.224 ( -1.448 1.136 0.132) 1.845 4.233 ( 0.094 0.691 0.921) 1.155 4.283 ( -3.372 -0.001 0.173) 3.377 4.301 ( -2.571 -0.527 -0.368) 2.650 4.346 ( 0.677 0.788 0.985) 1.432 4.365 ( -1.546 1.055 -1.268) 2.261 4.400 ( 2.538 -0.886 3.499) 4.413 4.424 ( -2.033 -1.112 -1.004) 2.525 4.760 ( 1.104 0.440 -0.420) 1.261 4.784 ( 0.376 1.218 0.239) 1.298 4.807 ( 1.020 -0.926 -0.843) 1.615 4.835 ( 0.095 -0.422 0.044) 0.434 4.870 ( 0.176 0.105 -1.256) 1.273 4.883 ( 0.178 -0.362 -0.903) 0.989 4.970 ( -0.506 -0.089 1.810) 1.881 4.974 ( -0.443 -0.097 1.839) 1.894 5.431 ( 0.388 0.488 -0.687) 0.928 5.458 ( 0.455 -0.801 -0.063) 0.924 5.482 ( 0.314 0.475 0.275) 0.632 5.497 ( -0.010 -0.342 0.305) 0.458 6.404 ( -0.639 0.224 -0.649) 0.938 6.416 ( -0.034 -0.122 0.353) 0.376 6.424 ( 0.125 0.026 0.549) 0.564 6.430 ( -0.142 -0.004 0.203) 0.248 6.699 ( 1.316 0.327 -0.030) 1.357 6.706 ( 1.048 0.622 -0.071) 1.221 6.715 ( 1.309 -0.138 0.125) 1.322 6.738 ( 1.322 -0.651 -0.375) 1.521 6.758 ( 1.298 0.463 0.284) 1.407 6.776 ( 0.710 -0.275 -0.208) 0.790 6.792 ( 0.756 0.059 -0.169) 0.777 6.801 ( 0.456 -0.200 0.062) 0.501 6.882 ( -0.098 0.416 -0.051) 0.431 6.901 ( 0.215 -0.380 0.195) 0.478 6.911 ( 0.323 0.205 0.231) 0.447 6.921 ( 0.309 -0.216 -0.018) 0.377 7.191 ( -1.284 0.106 0.267) 1.315 7.192 ( -1.048 0.163 -0.016) 1.060 7.207 ( -0.906 -0.179 -0.494) 1.047 7.217 ( -0.804 -0.420 -0.435) 1.006 7.309 ( 0.486 0.132 -1.023) 1.141 7.314 ( 0.571 -0.087 -0.635) 0.858 7.362 ( 0.165 0.048 1.032) 1.046 7.365 ( 0.684 -0.079 0.325) 0.762 7.518 ( -0.234 0.410 -0.198) 0.512 7.534 ( -0.250 -0.274 -0.013) 0.371 7.628 ( -0.218 0.317 -0.314) 0.496 7.646 ( -0.494 -0.403 0.531) 0.830 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.501 1.455 -4.407) 4.668 0.748 ( 4.186 2.035 -2.060) 5.090 0.864 ( 3.823 -1.149 2.189) 4.553 0.895 ( -1.559 -0.445 0.009) 1.622 0.970 ( -0.267 -2.802 -4.093) 4.967 1.051 ( 0.583 0.365 -0.444) 0.819 1.090 ( 4.854 3.176 -2.084) 6.163 1.131 ( 3.630 0.135 -2.835) 4.608 1.214 ( 2.080 1.215 3.799) 4.498 1.256 ( -0.171 -2.051 3.612) 4.157 1.319 ( 2.229 -1.387 -0.775) 2.737 1.356 ( 2.441 -2.764 -1.436) 3.957 1.380 ( 1.393 1.120 -2.857) 3.370 1.439 ( 7.627 -0.285 -1.887) 7.862 1.452 ( 3.105 0.488 0.846) 3.255 1.486 ( -0.216 -2.106 0.101) 2.119 1.559 ( 0.421 -0.838 0.797) 1.231 1.600 ( -0.672 0.260 0.911) 1.162 1.630 ( -1.154 1.941 0.662) 2.353 1.706 ( -0.677 2.002 -2.448) 3.234 1.764 ( 0.511 4.816 1.130) 4.973 1.777 ( -3.860 -3.433 0.858) 5.236 1.814 ( -0.337 -1.504 -0.262) 1.564 1.871 ( -0.323 1.876 0.641) 2.009 1.938 ( -0.197 3.053 2.127) 3.726 1.988 ( 0.881 0.389 -0.088) 0.967 2.054 ( 0.591 -5.398 -1.569) 5.652 2.104 ( -0.903 -0.160 -2.343) 2.516 2.178 ( -3.664 -0.282 0.275) 3.685 2.211 ( 1.172 -2.304 -1.486) 2.981 2.234 ( -3.596 -1.296 0.572) 3.865 2.245 ( 1.487 2.115 0.136) 2.589 2.289 ( -3.056 -0.616 -3.676) 4.819 2.359 ( -1.850 -0.088 1.230) 2.223 2.456 ( 1.429 0.360 3.406) 3.711 2.474 ( 1.663 3.145 1.487) 3.856 2.488 ( -0.895 -0.755 0.646) 1.338 2.521 ( -2.166 -0.937 1.930) 3.049 2.559 ( -0.935 1.946 0.026) 2.159 2.649 ( -0.479 -2.482 3.923) 4.666 2.741 ( 0.834 1.995 1.945) 2.908 2.789 ( 1.731 -0.433 1.517) 2.342 3.553 ( 0.269 0.105 1.340) 1.371 3.562 ( 0.348 -0.359 0.808) 0.950 3.636 ( 1.166 1.106 0.165) 1.616 3.683 ( 0.872 -0.958 -1.194) 1.761 3.903 ( -0.714 1.265 -1.310) 1.956 3.928 ( -0.937 0.253 -1.132) 1.491 3.983 ( 0.083 -1.178 -0.727) 1.387 4.011 ( -1.568 -1.235 0.827) 2.161 4.080 ( -2.252 0.552 0.356) 2.346 4.095 ( -1.754 -0.145 1.004) 2.026 4.155 ( -3.096 0.871 -0.639) 3.279 4.185 ( -0.570 0.816 -1.305) 1.641 4.203 ( -2.197 -0.990 -0.186) 2.417 4.209 ( -1.448 -0.621 -0.659) 1.708 4.234 ( -2.017 0.599 -1.168) 2.406 4.243 ( -1.267 0.704 -1.186) 1.873 4.312 ( -0.409 -0.492 -0.641) 0.906 4.340 ( -2.084 -1.381 -2.398) 3.464 4.438 ( 2.098 2.000 3.157) 4.286 4.492 ( 2.443 -0.588 2.592) 3.610 4.772 ( 1.019 0.358 -0.617) 1.244 4.795 ( 0.509 0.956 0.251) 1.112 4.810 ( 0.561 -0.206 -0.658) 0.889 4.830 ( -0.353 0.128 -0.341) 0.508 4.872 ( 0.485 -0.566 0.330) 0.816 4.886 ( 0.828 -0.829 -0.279) 1.204 4.971 ( -0.560 0.452 0.888) 1.143 4.994 ( -0.098 -0.482 1.726) 1.795 5.431 ( 0.432 0.613 -0.427) 0.863 5.464 ( 0.419 -0.908 -0.133) 1.009 5.488 ( 0.150 0.351 0.126) 0.402 5.497 ( -0.141 -0.146 -0.008) 0.203 6.385 ( -0.644 0.433 -0.644) 1.008 6.409 ( -0.449 -0.634 -0.374) 0.862 6.434 ( 0.229 0.281 0.809) 0.887 6.441 ( 0.257 -0.040 0.668) 0.717 6.717 ( 0.662 0.481 0.006) 0.819 6.720 ( 0.916 0.745 -0.001) 1.180 6.734 ( 0.950 -0.173 0.064) 0.968 6.752 ( 0.824 -0.599 -0.294) 1.060 6.783 ( 1.019 0.114 -0.478) 1.131 6.792 ( 1.677 -0.002 0.335) 1.710 6.802 ( 0.744 0.016 -0.261) 0.788 6.807 ( 0.435 -0.229 -0.271) 0.561 6.880 ( -0.084 0.558 -0.048) 0.567 6.907 ( 0.175 -0.578 0.163) 0.625 6.918 ( 0.272 0.171 0.048) 0.325 6.926 ( 0.315 -0.175 -0.046) 0.363 7.171 ( -1.277 0.229 0.118) 1.302 7.176 ( -1.000 0.242 0.159) 1.041 7.189 ( -0.722 -0.294 -0.136) 0.792 7.198 ( -0.908 -0.501 -0.384) 1.106 7.306 ( 0.400 0.279 -0.748) 0.893 7.320 ( 0.669 -0.278 -0.225) 0.759 7.375 ( 0.148 0.066 0.738) 0.756 7.379 ( 0.616 -0.130 0.244) 0.675 7.513 ( -0.115 0.445 -0.180) 0.493 7.531 ( -0.111 -0.283 -0.128) 0.330 7.621 ( -0.195 0.374 -0.280) 0.507 7.641 ( -0.575 -0.452 0.300) 0.791 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -2.068 1.458 -2.605) 3.632 0.744 ( -1.285 -5.217 -3.329) 6.321 0.860 ( 0.835 3.089 -0.753) 3.287 0.931 ( 1.825 4.221 -1.133) 4.736 0.972 ( 1.174 -0.545 2.651) 2.950 1.025 ( -1.044 1.351 -1.911) 2.563 1.134 ( 2.086 4.747 -1.573) 5.418 1.169 ( 3.803 -3.920 -2.648) 6.070 1.260 ( -1.937 -3.312 2.098) 4.373 1.264 ( -2.723 0.287 2.086) 3.443 1.350 ( 4.026 -2.778 0.563) 4.924 1.378 ( 1.959 -3.157 -0.128) 3.717 1.399 ( 2.059 -0.476 -0.000) 2.114 1.479 ( -0.257 -4.687 -0.635) 4.737 1.496 ( 2.486 1.306 0.352) 2.830 1.538 ( -1.445 1.451 -0.202) 2.058 1.560 ( -3.083 -0.141 -1.314) 3.355 1.581 ( 1.634 0.543 0.920) 1.952 1.646 ( 1.787 1.001 0.795) 2.197 1.685 ( -0.570 -1.051 -0.224) 1.216 1.739 ( 1.577 0.586 1.173) 2.051 1.799 ( 1.071 5.261 1.687) 5.627 1.823 ( 1.954 1.021 -0.382) 2.238 1.864 ( -1.653 2.944 -0.079) 3.378 1.960 ( 0.207 0.825 0.923) 1.255 1.983 ( -1.134 -1.985 -0.178) 2.293 2.021 ( 0.050 -0.799 -2.527) 2.651 2.052 ( -4.031 -1.440 -2.745) 5.085 2.087 ( -1.161 -2.726 -1.875) 3.506 2.132 ( -3.811 -2.553 -0.904) 4.676 2.228 ( 0.140 0.413 0.478) 0.647 2.243 ( 1.903 2.046 -0.292) 2.810 2.328 ( -1.368 4.505 1.010) 4.816 2.354 ( 1.894 -1.116 2.480) 3.314 2.442 ( -1.849 1.665 -1.431) 2.871 2.499 ( 1.225 -2.005 -0.352) 2.376 2.509 ( -1.725 -0.805 1.798) 2.619 2.539 ( 0.178 -1.065 0.657) 1.264 2.561 ( 1.416 2.016 1.198) 2.740 2.681 ( 0.119 -2.263 1.469) 2.701 2.799 ( 1.205 0.909 3.280) 3.610 2.827 ( 1.133 -0.280 0.157) 1.177 3.567 ( 0.049 -0.039 0.565) 0.569 3.570 ( -0.008 -0.155 0.211) 0.262 3.652 ( 0.515 0.802 0.072) 0.956 3.685 ( 0.488 -0.599 -0.569) 0.959 3.884 ( -0.253 1.476 -0.581) 1.606 3.907 ( -0.340 0.524 -0.438) 0.763 3.984 ( 0.910 -1.191 -0.776) 1.688 3.995 ( -1.484 -1.219 0.827) 2.091 4.054 ( -1.115 1.048 0.223) 1.546 4.067 ( -1.850 0.498 -1.099) 2.208 4.103 ( -1.190 0.938 0.393) 1.565 4.136 ( -1.572 -0.837 -1.118) 2.103 4.179 ( -0.217 0.610 0.395) 0.759 4.202 ( -1.071 -0.573 -0.843) 1.478 4.213 ( -0.141 -0.641 -0.206) 0.688 4.221 ( -0.052 0.163 0.140) 0.221 4.296 ( -0.668 -0.860 0.563) 1.226 4.307 ( 0.042 -0.964 -1.693) 1.949 4.490 ( 0.941 2.028 1.195) 2.535 4.536 ( 0.796 -0.230 0.698) 1.083 4.779 ( 0.436 0.272 -0.290) 0.590 4.803 ( 0.247 -0.079 0.045) 0.263 4.811 ( 0.162 0.670 -0.271) 0.741 4.822 ( -0.176 0.841 -0.032) 0.860 4.883 ( 0.216 -1.110 0.372) 1.190 4.896 ( 0.414 -1.134 -0.049) 1.208 4.973 ( -0.150 0.857 0.363) 0.943 5.006 ( -0.061 -0.626 0.607) 0.874 5.434 ( 0.209 0.648 -0.120) 0.691 5.468 ( 0.170 -0.897 -0.065) 0.915 5.490 ( 0.028 0.224 0.027) 0.228 5.494 ( -0.083 -0.037 -0.055) 0.106 6.372 ( -0.258 0.528 -0.250) 0.639 6.400 ( -0.195 -0.672 -0.163) 0.719 6.445 ( 0.160 0.149 0.473) 0.521 6.448 ( 0.058 0.012 0.138) 0.150 6.722 ( 0.109 0.546 -0.028) 0.558 6.735 ( 0.489 0.778 0.176) 0.936 6.744 ( 0.276 -0.186 -0.087) 0.344 6.759 ( 0.291 -0.369 -0.069) 0.474 6.791 ( 0.435 0.060 -0.276) 0.518 6.805 ( 0.156 -0.153 -0.261) 0.340 6.809 ( 0.273 -0.093 -0.051) 0.293 6.820 ( 0.817 -0.231 0.094) 0.854 6.879 ( -0.034 0.644 -0.013) 0.645 6.910 ( 0.058 -0.681 0.054) 0.686 6.921 ( 0.119 0.181 -0.008) 0.217 6.929 ( 0.146 -0.156 -0.027) 0.216 7.156 ( -0.534 0.303 0.005) 0.614 7.166 ( -0.419 0.371 0.198) 0.593 7.179 ( -0.367 -0.607 -0.172) 0.730 7.184 ( -0.301 -0.345 -0.000) 0.458 7.304 ( 0.113 0.476 -0.303) 0.575 7.327 ( 0.305 -0.473 -0.024) 0.564 7.383 ( 0.070 0.091 0.276) 0.299 7.389 ( 0.271 -0.211 0.110) 0.360 7.510 ( -0.028 0.456 -0.074) 0.463 7.528 ( -0.030 -0.250 -0.092) 0.268 7.617 ( -0.070 0.341 -0.126) 0.370 7.636 ( -0.278 -0.443 0.082) 0.529 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 -11.893 0.000) 11.893 0.546 ( 0.000 11.893 0.000) 11.893 0.678 ( 0.000 -16.012 0.000) 16.012 0.678 ( 0.000 16.012 0.000) 16.012 0.870 ( 0.000 -5.548 0.000) 5.548 0.870 ( 0.000 5.548 0.000) 5.548 1.029 ( 0.000 -3.191 0.000) 3.191 1.029 ( 0.000 3.191 0.000) 3.191 1.174 ( 0.000 -5.143 0.000) 5.143 1.174 ( 0.000 5.143 0.000) 5.143 1.332 ( 0.000 -0.619 0.000) 0.619 1.332 ( 0.000 0.619 0.000) 0.619 1.347 ( 0.000 -7.784 0.000) 7.784 1.347 ( 0.000 7.784 0.000) 7.784 1.541 ( 0.000 -5.516 0.000) 5.516 1.541 ( 0.000 5.516 0.000) 5.516 1.563 ( 0.000 -0.444 0.000) 0.444 1.563 ( 0.000 0.444 0.000) 0.444 1.689 ( 0.000 -1.541 0.000) 1.541 1.689 ( 0.000 1.541 0.000) 1.541 1.746 ( 0.000 -0.041 0.000) 0.041 1.746 ( 0.000 0.041 0.000) 0.041 1.817 ( 0.000 -0.558 0.000) 0.558 1.817 ( 0.000 0.558 0.000) 0.558 1.904 ( 0.000 -4.785 0.000) 4.785 1.904 ( 0.000 4.785 0.000) 4.785 1.984 ( 0.000 -0.106 0.000) 0.106 1.984 ( 0.000 0.106 0.000) 0.106 2.185 ( 0.000 -3.074 0.000) 3.074 2.185 ( 0.000 3.074 0.000) 3.074 2.251 ( 0.000 -3.748 0.000) 3.748 2.251 ( 0.000 3.748 0.000) 3.748 2.356 ( 0.000 -0.276 0.000) 0.276 2.356 ( 0.000 0.276 0.000) 0.276 2.502 ( 0.000 -1.481 0.000) 1.481 2.502 ( 0.000 1.481 0.000) 1.481 2.577 ( 0.000 -0.461 0.000) 0.461 2.577 ( 0.000 0.461 0.000) 0.461 2.742 ( 0.000 -3.296 0.000) 3.296 2.742 ( 0.000 3.296 0.000) 3.296 2.819 ( 0.000 -2.166 0.000) 2.166 2.819 ( 0.000 2.166 0.000) 2.166 3.518 ( 0.000 -0.846 0.000) 0.846 3.518 ( 0.000 0.846 0.000) 0.846 3.644 ( 0.000 -2.435 0.000) 2.435 3.644 ( 0.000 2.435 0.000) 2.435 4.001 ( 0.000 -1.302 0.000) 1.302 4.001 ( 0.000 1.302 0.000) 1.302 4.019 ( 0.000 -0.117 0.000) 0.117 4.019 ( 0.000 0.117 0.000) 0.117 4.135 ( 0.000 -0.777 0.000) 0.777 4.135 ( 0.000 0.777 0.000) 0.777 4.183 ( 0.000 -0.466 0.000) 0.466 4.183 ( 0.000 0.466 0.000) 0.466 4.208 ( 0.000 -1.072 0.000) 1.072 4.208 ( 0.000 1.072 0.000) 1.072 4.275 ( 0.000 -0.516 0.000) 0.516 4.275 ( 0.000 0.516 0.000) 0.516 4.367 ( 0.000 -2.105 0.000) 2.105 4.367 ( 0.000 2.105 0.000) 2.105 4.460 ( 0.000 -0.189 0.000) 0.189 4.460 ( 0.000 0.189 0.000) 0.189 4.758 ( 0.000 -1.203 0.000) 1.203 4.758 ( 0.000 1.203 0.000) 1.203 4.809 ( 0.000 -1.342 0.000) 1.342 4.809 ( 0.000 1.342 0.000) 1.342 4.903 ( 0.000 -0.184 0.000) 0.184 4.903 ( 0.000 0.184 0.000) 0.184 4.948 ( 0.000 -0.427 0.000) 0.427 4.948 ( 0.000 0.427 0.000) 0.427 5.440 ( 0.000 -0.197 0.000) 0.197 5.440 ( 0.000 0.197 0.000) 0.197 5.477 ( 0.000 -0.310 0.000) 0.310 5.477 ( 0.000 0.310 0.000) 0.310 6.403 ( 0.000 -0.189 0.000) 0.189 6.403 ( 0.000 0.189 0.000) 0.189 6.442 ( 0.000 -0.347 0.000) 0.347 6.442 ( 0.000 0.347 0.000) 0.347 6.673 ( 0.000 -0.081 0.000) 0.081 6.673 ( 0.000 0.081 0.000) 0.081 6.701 ( 0.000 -0.140 0.000) 0.140 6.701 ( 0.000 0.140 0.000) 0.140 6.752 ( 0.000 -0.560 0.000) 0.560 6.752 ( 0.000 0.560 0.000) 0.560 6.781 ( 0.000 -0.282 0.000) 0.282 6.781 ( 0.000 0.282 0.000) 0.282 6.892 ( 0.000 -0.467 0.000) 0.467 6.892 ( 0.000 0.467 0.000) 0.467 6.907 ( 0.000 -0.447 0.000) 0.447 6.907 ( 0.000 0.447 0.000) 0.447 7.211 ( 0.000 -0.052 0.000) 0.052 7.211 ( 0.000 0.052 0.000) 0.052 7.235 ( 0.000 -0.371 0.000) 0.371 7.235 ( 0.000 0.371 0.000) 0.371 7.327 ( 0.000 -0.226 0.000) 0.226 7.327 ( 0.000 0.226 0.000) 0.226 7.335 ( 0.000 -0.116 0.000) 0.116 7.335 ( 0.000 0.116 0.000) 0.116 7.535 ( 0.000 -0.434 0.000) 0.434 7.535 ( 0.000 0.434 0.000) 0.434 7.640 ( 0.000 -0.051 0.000) 0.051 7.640 ( 0.000 0.051 0.000) 0.051 ======================= Grid point 20 (12/69) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 5.126 -9.040 -0.231) 10.395 0.580 ( 5.126 9.040 -0.231) 10.395 0.685 ( -0.788 -10.853 5.976) 12.415 0.685 ( -0.788 10.853 5.976) 12.415 0.903 ( 5.004 -1.157 -4.288) 6.691 0.903 ( 5.004 1.157 -4.288) 6.691 1.064 ( 1.807 -3.008 2.006) 4.042 1.064 ( 1.807 3.008 2.006) 4.042 1.231 ( 2.126 -3.924 1.195) 4.620 1.231 ( 2.126 3.924 1.195) 4.620 1.323 ( 2.856 -4.472 -0.474) 5.328 1.323 ( 2.856 4.472 -0.474) 5.328 1.354 ( 1.965 -3.794 -2.885) 5.156 1.354 ( 1.965 3.794 -2.885) 5.156 1.504 ( -0.390 -5.508 -4.994) 7.446 1.504 ( -0.390 5.508 -4.994) 7.446 1.573 ( -0.888 -2.992 1.818) 3.612 1.573 ( -0.888 2.992 1.818) 3.612 1.678 ( -1.236 -1.178 1.327) 2.163 1.678 ( -1.236 1.178 1.327) 2.163 1.763 ( 0.046 -3.828 2.011) 4.325 1.763 ( 0.046 3.828 2.011) 4.325 1.806 ( -1.193 -1.805 0.443) 2.209 1.806 ( -1.193 1.805 0.443) 2.209 1.936 ( 1.773 -5.123 3.385) 6.391 1.936 ( 1.773 5.123 3.385) 6.391 2.000 ( 1.779 -0.541 -1.128) 2.175 2.000 ( 1.779 0.541 -1.128) 2.175 2.167 ( -1.693 -2.001 0.989) 2.802 2.167 ( -1.693 2.001 0.989) 2.802 2.237 ( -1.037 -0.481 -0.624) 1.303 2.237 ( -1.037 0.481 -0.624) 1.303 2.375 ( 0.990 -1.025 1.585) 2.131 2.375 ( 0.990 1.025 1.585) 2.131 2.512 ( -0.193 -2.389 0.844) 2.541 2.512 ( -0.193 2.389 0.844) 2.541 2.553 ( -1.324 -0.213 -2.511) 2.847 2.553 ( -1.324 0.213 -2.511) 2.847 2.698 ( -3.664 -1.281 -0.594) 3.927 2.698 ( -3.664 1.281 -0.594) 3.927 2.790 ( -1.833 -1.984 -1.948) 3.331 2.790 ( -1.833 1.984 -1.948) 3.331 3.523 ( 0.284 -0.585 0.456) 0.794 3.523 ( 0.284 0.585 0.456) 0.794 3.644 ( 0.409 -2.401 -0.431) 2.473 3.644 ( 0.409 2.401 -0.431) 2.473 3.983 ( -0.643 -1.026 -1.605) 2.011 3.983 ( -0.643 1.026 -1.605) 2.011 4.014 ( -1.205 -0.891 0.652) 1.634 4.014 ( -1.205 0.891 0.652) 1.634 4.140 ( -0.389 -0.605 -0.134) 0.732 4.140 ( -0.389 0.605 -0.134) 0.732 4.178 ( 0.119 -0.197 -0.921) 0.949 4.178 ( 0.119 0.197 -0.921) 0.949 4.217 ( 0.715 -0.849 2.369) 2.616 4.217 ( 0.715 0.849 2.369) 2.616 4.305 ( 1.531 -0.710 2.029) 2.639 4.305 ( 1.531 0.710 2.029) 2.639 4.344 ( -2.637 -1.359 0.013) 2.967 4.344 ( -2.637 1.359 0.013) 2.967 4.443 ( -1.361 -0.758 -1.125) 1.921 4.443 ( -1.361 0.758 -1.125) 1.921 4.764 ( 0.702 -1.261 -0.030) 1.444 4.764 ( 0.702 1.261 -0.030) 1.444 4.812 ( 0.442 -1.299 -0.256) 1.396 4.812 ( 0.442 1.299 -0.256) 1.396 4.893 ( -0.003 -0.311 -1.493) 1.525 4.893 ( -0.003 0.311 -1.493) 1.525 4.957 ( -0.392 -0.604 1.798) 1.937 4.957 ( -0.392 0.604 1.798) 1.937 5.441 ( 0.285 -0.490 -0.305) 0.643 5.441 ( 0.285 0.490 -0.305) 0.643 5.482 ( 0.231 -0.401 0.387) 0.603 5.482 ( 0.231 0.401 0.387) 0.603 6.408 ( 0.140 -0.199 0.475) 0.534 6.408 ( 0.140 0.199 0.475) 0.534 6.434 ( -0.462 -0.349 -0.400) 0.703 6.434 ( -0.462 0.349 -0.400) 0.703 6.684 ( 1.130 -0.300 0.093) 1.172 6.684 ( 1.130 0.300 0.093) 1.172 6.708 ( 0.953 -0.682 -0.209) 1.191 6.708 ( 0.953 0.682 -0.209) 1.191 6.755 ( 0.316 -0.648 0.168) 0.740 6.755 ( 0.316 0.648 0.168) 0.740 6.787 ( 0.509 -0.175 0.120) 0.551 6.787 ( 0.509 0.175 0.120) 0.551 6.891 ( -0.031 -0.441 0.011) 0.442 6.891 ( -0.031 0.441 0.011) 0.442 6.910 ( 0.209 -0.387 0.134) 0.460 6.910 ( 0.209 0.387 0.134) 0.460 7.206 ( -0.613 -0.055 0.064) 0.619 7.206 ( -0.613 0.055 0.064) 0.619 7.227 ( -0.647 -0.354 -0.413) 0.845 7.227 ( -0.647 0.354 -0.413) 0.845 7.317 ( 0.167 -0.017 -1.085) 1.098 7.317 ( 0.167 0.017 -1.085) 1.098 7.348 ( 0.387 -0.070 0.889) 0.972 7.348 ( 0.387 0.070 0.889) 0.972 7.532 ( -0.255 -0.447 -0.047) 0.517 7.532 ( -0.255 0.447 -0.047) 0.517 7.639 ( -0.176 -0.317 0.134) 0.387 7.639 ( -0.176 0.317 0.134) 0.387 ======================= Grid point 22 (13/69) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 4.644 -5.239 4.284) 8.207 0.705 ( 4.644 5.239 4.284) 8.207 0.758 ( 6.365 -8.037 -1.711) 10.394 0.758 ( 6.365 8.037 -1.711) 10.394 0.964 ( 6.306 -3.070 -0.966) 7.080 0.964 ( 6.306 3.070 -0.966) 7.080 1.102 ( 0.891 -2.219 0.263) 2.405 1.102 ( 0.891 2.219 0.263) 2.405 1.219 ( -2.231 -1.535 0.361) 2.732 1.219 ( -2.231 1.535 0.361) 2.732 1.334 ( 0.845 -1.904 -3.983) 4.495 1.334 ( 0.845 1.904 -3.983) 4.495 1.382 ( 3.477 -4.628 -1.808) 6.064 1.382 ( 3.477 4.628 -1.808) 6.064 1.458 ( 0.784 -1.965 -3.419) 4.020 1.458 ( 0.784 1.965 -3.419) 4.020 1.578 ( -1.245 -2.321 1.691) 3.130 1.578 ( -1.245 2.321 1.691) 3.130 1.692 ( 0.765 -3.883 1.292) 4.163 1.692 ( 0.765 3.883 1.292) 4.163 1.763 ( -1.090 -1.662 1.052) 2.249 1.763 ( -1.090 1.662 1.052) 2.249 1.836 ( 3.026 -7.204 1.157) 7.898 1.836 ( 3.026 7.204 1.157) 7.898 1.986 ( -1.590 -4.042 0.751) 4.408 1.986 ( -1.590 4.042 0.751) 4.408 2.019 ( 1.529 -2.802 3.112) 4.458 2.019 ( 1.529 2.802 3.112) 4.458 2.153 ( -1.917 -3.283 0.199) 3.807 2.153 ( -1.917 3.283 0.199) 3.807 2.242 ( 2.161 -2.969 2.228) 4.295 2.242 ( 2.161 2.969 2.228) 4.295 2.403 ( -1.125 -2.416 -1.287) 2.960 2.403 ( -1.125 2.416 -1.287) 2.960 2.453 ( -3.132 -2.261 -1.271) 4.067 2.453 ( -3.132 2.261 -1.271) 4.067 2.524 ( -0.843 -1.844 0.050) 2.028 2.524 ( -0.843 1.844 0.050) 2.028 2.636 ( -3.410 -1.329 0.025) 3.660 2.636 ( -3.410 1.329 0.025) 3.660 2.753 ( -0.435 -1.229 -0.059) 1.305 2.753 ( -0.435 1.229 -0.059) 1.305 3.537 ( 0.431 -0.302 0.976) 1.109 3.537 ( 0.431 0.302 0.976) 1.109 3.650 ( 0.927 -1.998 -0.569) 2.275 3.650 ( 0.927 1.998 -0.569) 2.275 3.952 ( -0.666 -0.864 -1.723) 2.039 3.952 ( -0.666 0.864 -1.723) 2.039 3.998 ( -1.466 -1.330 0.573) 2.061 3.998 ( -1.466 1.330 0.573) 2.061 4.116 ( -1.897 -0.224 0.242) 1.926 4.116 ( -1.897 0.224 0.242) 1.926 4.183 ( 0.463 -0.417 -0.311) 0.696 4.183 ( 0.463 0.417 -0.311) 0.696 4.239 ( -0.732 -0.225 0.530) 0.931 4.239 ( -0.732 0.225 0.530) 0.931 4.290 ( -3.109 -0.603 -0.301) 3.181 4.290 ( -3.109 0.603 -0.301) 3.181 4.366 ( 0.780 -1.122 -0.006) 1.367 4.366 ( 0.780 1.122 -0.006) 1.367 4.400 ( -0.443 -1.185 1.211) 1.751 4.400 ( -0.443 1.185 1.211) 1.751 4.777 ( 1.027 -1.223 -0.321) 1.629 4.777 ( 1.027 1.223 -0.321) 1.629 4.817 ( 0.498 -1.325 -0.095) 1.419 4.817 ( 0.498 1.325 -0.095) 1.419 4.876 ( 0.032 -0.424 -1.249) 1.320 4.876 ( 0.032 0.424 -1.249) 1.320 4.970 ( -0.474 -0.166 1.842) 1.909 4.970 ( -0.474 0.166 1.842) 1.909 5.443 ( 0.436 -0.783 -0.405) 0.983 5.443 ( 0.436 0.783 -0.405) 0.983 5.490 ( 0.178 -0.385 0.316) 0.529 5.490 ( 0.178 0.385 0.316) 0.529 6.410 ( -0.374 -0.360 -0.284) 0.592 6.410 ( -0.374 0.360 -0.284) 0.592 6.428 ( -0.000 -0.247 0.491) 0.550 6.428 ( -0.000 0.247 0.491) 0.550 6.706 ( 1.367 -0.411 0.140) 1.434 6.706 ( 1.367 0.411 0.140) 1.434 6.723 ( 1.227 -0.857 -0.386) 1.546 6.723 ( 1.227 0.857 -0.386) 1.546 6.768 ( 0.969 -0.533 0.245) 1.133 6.768 ( 0.969 0.533 0.245) 1.133 6.796 ( 0.615 -0.329 -0.172) 0.719 6.796 ( 0.615 0.329 -0.172) 0.719 6.892 ( 0.035 -0.584 0.071) 0.590 6.892 ( 0.035 0.584 0.071) 0.590 6.916 ( 0.323 -0.282 0.096) 0.439 6.916 ( 0.323 0.282 0.096) 0.439 7.193 ( -1.105 -0.123 0.189) 1.127 7.193 ( -1.105 0.123 0.189) 1.127 7.208 ( -0.930 -0.379 -0.554) 1.147 7.208 ( -0.930 0.379 -0.554) 1.147 7.311 ( 0.543 -0.166 -0.869) 1.038 7.311 ( 0.543 0.166 -0.869) 1.038 7.364 ( 0.395 -0.086 0.720) 0.826 7.364 ( 0.395 0.086 0.720) 0.826 7.527 ( -0.243 -0.497 -0.100) 0.562 7.527 ( -0.243 0.497 -0.100) 0.562 7.637 ( -0.349 -0.530 0.117) 0.645 7.637 ( -0.349 0.530 0.117) 0.645 ======================= Grid point 24 (14/69) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.195 -3.223 -4.977) 5.933 0.735 ( 0.195 3.223 -4.977) 5.933 0.866 ( 4.874 -1.609 1.186) 5.268 0.866 ( 4.874 1.609 1.186) 5.268 0.990 ( 0.756 -4.347 -2.074) 4.876 0.990 ( 0.756 4.347 -2.074) 4.876 1.163 ( 6.928 -2.116 -3.786) 8.173 1.163 ( 6.928 2.116 -3.786) 8.173 1.206 ( -0.728 -1.195 3.611) 3.873 1.206 ( -0.728 1.195 3.611) 3.873 1.309 ( -0.729 -1.993 -0.510) 2.182 1.309 ( -0.729 1.993 -0.510) 2.182 1.427 ( 1.312 -3.327 -2.168) 4.182 1.427 ( 1.312 3.327 -2.168) 4.182 1.452 ( 3.081 -0.979 2.012) 3.808 1.452 ( 3.081 0.979 2.012) 3.808 1.567 ( -0.303 -1.774 0.357) 1.835 1.567 ( -0.303 1.774 0.357) 1.835 1.707 ( -1.116 -3.757 -1.188) 4.095 1.707 ( -1.116 3.757 -1.188) 4.095 1.747 ( 0.436 -2.574 -0.230) 2.620 1.747 ( 0.436 2.574 -0.230) 2.620 1.896 ( 0.897 -5.675 1.798) 6.020 1.896 ( 0.897 5.675 1.798) 6.020 1.954 ( -2.303 -3.824 0.546) 4.497 1.954 ( -2.303 3.824 0.546) 4.497 2.045 ( -0.538 -4.927 -0.163) 4.958 2.045 ( -0.538 4.927 -0.163) 4.958 2.169 ( 2.392 -0.610 2.120) 3.254 2.169 ( 2.392 0.610 2.120) 3.254 2.255 ( -6.947 -1.963 -5.102) 8.840 2.255 ( -6.947 1.963 -5.102) 8.840 2.325 ( 3.583 -3.531 1.313) 5.199 2.325 ( 3.583 3.531 1.313) 5.199 2.466 ( -1.190 -1.515 2.157) 2.892 2.466 ( -1.190 1.515 2.157) 2.892 2.514 ( -0.413 -0.418 1.145) 1.287 2.514 ( -0.413 0.418 1.145) 1.287 2.600 ( -1.350 -2.621 1.321) 3.231 2.600 ( -1.350 2.621 1.321) 3.231 2.773 ( 1.214 -1.368 1.897) 2.635 2.773 ( 1.214 1.368 1.897) 2.635 3.556 ( 0.311 -0.210 1.057) 1.121 3.556 ( 0.311 0.210 1.057) 1.121 3.660 ( 1.111 -1.354 -0.569) 1.841 3.660 ( 1.111 1.354 -0.569) 1.841 3.925 ( -0.404 -0.797 -1.500) 1.746 3.925 ( -0.404 0.797 -1.500) 1.746 3.983 ( -1.134 -1.294 0.573) 1.814 3.983 ( -1.134 1.294 0.573) 1.814 4.089 ( -1.942 -0.473 0.563) 2.077 4.089 ( -1.942 0.473 0.563) 2.077 4.177 ( -1.998 -1.424 0.450) 2.494 4.177 ( -1.998 1.424 0.450) 2.494 4.199 ( -1.970 -0.597 -1.266) 2.416 4.199 ( -1.970 0.597 -1.266) 2.416 4.247 ( -1.461 -0.553 -1.524) 2.183 4.247 ( -1.461 0.553 -1.524) 2.183 4.315 ( -1.345 -0.999 -1.826) 2.478 4.315 ( -1.345 0.999 -1.826) 2.478 4.473 ( 2.433 -1.497 2.989) 4.134 4.473 ( 2.433 1.497 2.989) 4.134 4.786 ( 0.706 -1.059 -0.520) 1.375 4.786 ( 0.706 1.059 -0.520) 1.375 4.825 ( 0.406 -0.967 0.070) 1.051 4.825 ( 0.406 0.967 0.070) 1.051 4.870 ( 0.367 -0.640 -0.349) 0.816 4.870 ( 0.367 0.640 -0.349) 0.816 4.983 ( -0.296 -0.681 1.394) 1.580 4.983 ( -0.296 0.681 1.394) 1.580 5.446 ( 0.438 -0.954 -0.281) 1.087 5.446 ( 0.438 0.954 -0.281) 1.087 5.493 ( 0.008 -0.221 0.063) 0.230 5.493 ( 0.008 0.221 0.063) 0.230 6.396 ( -0.536 -0.687 -0.510) 1.010 6.396 ( -0.536 0.687 -0.510) 1.010 6.439 ( 0.226 -0.189 0.727) 0.785 6.439 ( 0.226 0.189 0.727) 0.785 6.727 ( 0.872 -0.471 -0.022) 0.992 6.727 ( 0.872 0.471 -0.022) 0.992 6.737 ( 0.913 -0.903 -0.042) 1.285 6.737 ( 0.913 0.903 -0.042) 1.285 6.788 ( 1.064 -0.344 -0.025) 1.119 6.788 ( 1.064 0.344 -0.025) 1.119 6.803 ( 0.764 -0.129 -0.342) 0.846 6.803 ( 0.764 0.129 -0.342) 0.846 6.893 ( 0.034 -0.808 0.057) 0.811 6.893 ( 0.034 0.808 0.057) 0.811 6.922 ( 0.302 -0.232 0.001) 0.381 6.922 ( 0.302 0.232 0.001) 0.381 7.177 ( -1.146 -0.278 0.293) 1.215 7.177 ( -1.146 0.278 0.293) 1.215 7.188 ( -0.781 -0.380 -0.417) 0.963 7.188 ( -0.781 0.380 -0.417) 0.963 7.313 ( 0.561 -0.411 -0.542) 0.882 7.313 ( 0.561 0.411 -0.542) 0.882 7.377 ( 0.333 -0.120 0.533) 0.640 7.377 ( 0.333 0.120 0.533) 0.640 7.523 ( -0.109 -0.541 -0.139) 0.569 7.523 ( -0.109 0.541 -0.139) 0.569 7.631 ( -0.387 -0.609 0.005) 0.721 7.631 ( -0.387 0.609 0.005) 0.721 ======================= Grid point 26 (15/69) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -2.089 -4.473 -3.586) 6.101 0.648 ( -2.089 4.473 -3.586) 6.101 0.917 ( 1.910 -2.953 -0.647) 3.576 0.917 ( 1.910 2.953 -0.647) 3.576 1.038 ( 3.537 -4.311 1.073) 5.678 1.038 ( 3.537 4.311 1.073) 5.678 1.138 ( -1.391 -5.339 -2.787) 6.181 1.138 ( -1.391 5.339 -2.787) 6.181 1.260 ( 0.354 -4.367 0.205) 4.386 1.260 ( 0.354 4.367 0.205) 4.386 1.320 ( 1.474 -2.023 1.669) 3.008 1.320 ( 1.474 2.023 1.669) 3.008 1.406 ( -1.072 -2.024 -0.328) 2.314 1.406 ( -1.072 2.024 -0.328) 2.314 1.527 ( 1.863 -2.056 0.522) 2.823 1.527 ( 1.863 2.056 0.522) 2.823 1.579 ( -0.066 -1.673 0.668) 1.803 1.579 ( -0.066 1.673 0.668) 1.803 1.664 ( -0.497 -0.897 -0.889) 1.357 1.664 ( -0.497 0.897 -0.889) 1.357 1.787 ( 3.442 -3.356 0.552) 4.839 1.787 ( 3.442 3.356 0.552) 4.839 1.895 ( -1.203 -4.559 1.388) 4.915 1.895 ( -1.203 4.559 1.388) 4.915 1.956 ( 1.176 -4.637 -0.530) 4.813 1.956 ( 1.176 4.637 -0.530) 4.813 2.011 ( -3.137 -3.356 -1.203) 4.749 2.011 ( -3.137 3.356 -1.203) 4.749 2.092 ( -4.327 -2.212 -2.178) 5.325 2.092 ( -4.327 2.212 -2.178) 5.325 2.245 ( 2.397 -1.348 1.033) 2.937 2.245 ( 2.397 1.348 1.033) 2.937 2.377 ( 1.527 -1.731 -0.086) 2.310 2.377 ( 1.527 1.731 -0.086) 2.310 2.447 ( -1.689 -2.028 0.657) 2.720 2.447 ( -1.689 2.028 0.657) 2.720 2.516 ( -0.488 -1.448 0.104) 1.531 2.516 ( -0.488 1.448 0.104) 1.531 2.623 ( 0.552 -3.751 1.709) 4.159 2.623 ( 0.552 3.751 1.709) 4.159 2.817 ( 1.055 -0.878 1.489) 2.025 2.817 ( 1.055 0.878 1.489) 2.025 3.567 ( 0.039 -0.065 0.396) 0.403 3.567 ( 0.039 0.065 0.396) 0.403 3.670 ( 0.533 -0.957 -0.270) 1.129 3.670 ( 0.533 0.957 -0.270) 1.129 3.909 ( -0.057 -0.744 -0.636) 0.981 3.909 ( -0.057 0.744 -0.636) 0.981 3.974 ( -0.499 -0.556 0.281) 0.798 3.974 ( -0.499 0.556 0.281) 0.798 4.069 ( -0.904 -0.469 0.177) 1.033 4.069 ( -0.904 0.469 0.177) 1.033 4.120 ( -2.117 -0.924 -0.868) 2.467 4.120 ( -2.117 0.924 -0.868) 2.467 4.187 ( -0.576 -0.754 0.188) 0.967 4.187 ( -0.576 0.754 0.188) 0.967 4.218 ( -0.100 -0.607 -0.544) 0.821 4.218 ( -0.100 0.607 -0.544) 0.821 4.291 ( -0.278 -0.485 -0.669) 0.872 4.291 ( -0.278 0.485 -0.669) 0.872 4.523 ( 0.925 -1.269 0.979) 1.851 4.523 ( 0.925 1.269 0.979) 1.851 4.789 ( 0.236 -0.825 -0.237) 0.890 4.789 ( 0.236 0.825 -0.237) 0.890 4.831 ( 0.169 -0.641 0.072) 0.666 4.831 ( 0.169 0.641 0.072) 0.666 4.874 ( 0.204 -0.713 -0.004) 0.741 4.874 ( 0.204 0.713 -0.004) 0.741 4.991 ( -0.085 -0.955 0.530) 1.095 4.991 ( -0.085 0.955 0.530) 1.095 5.450 ( 0.195 -0.995 -0.089) 1.018 5.450 ( 0.195 0.995 -0.089) 1.018 5.493 ( -0.029 -0.087 -0.017) 0.093 5.493 ( -0.029 0.087 -0.017) 0.093 6.385 ( -0.220 -0.817 -0.202) 0.869 6.385 ( -0.220 0.817 -0.202) 0.869 6.448 ( 0.102 -0.091 0.297) 0.326 6.448 ( 0.102 0.091 0.297) 0.326 6.734 ( 0.216 -0.697 -0.060) 0.732 6.734 ( 0.216 0.697 -0.060) 0.732 6.750 ( 0.412 -0.636 0.116) 0.767 6.750 ( 0.412 0.636 0.116) 0.767 6.795 ( 0.230 -0.507 -0.227) 0.601 6.795 ( 0.230 0.507 -0.227) 0.601 6.814 ( 0.554 -0.370 -0.073) 0.670 6.814 ( 0.554 0.370 -0.073) 0.670 6.894 ( 0.009 -0.943 0.021) 0.943 6.894 ( 0.009 0.943 0.021) 0.943 6.925 ( 0.141 -0.240 -0.016) 0.279 6.925 ( 0.141 0.240 -0.016) 0.279 7.165 ( -0.508 -0.622 0.134) 0.814 7.165 ( -0.508 0.622 0.134) 0.814 7.176 ( -0.294 -0.499 -0.121) 0.592 7.176 ( -0.294 0.499 -0.121) 0.592 7.316 ( 0.231 -0.694 -0.186) 0.754 7.316 ( 0.231 0.694 -0.186) 0.754 7.385 ( 0.145 -0.173 0.212) 0.310 7.385 ( 0.145 0.173 0.212) 0.310 7.520 ( -0.025 -0.551 -0.073) 0.557 7.520 ( -0.025 0.551 -0.073) 0.557 7.626 ( -0.177 -0.588 -0.027) 0.615 7.626 ( -0.177 0.588 -0.027) 0.615 ======================= Grid point 45 (16/69) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -7.092 0.000 14.041) 15.730 0.312 ( 0.364 0.000 14.185) 14.190 0.464 ( 7.062 0.000 21.910) 23.020 0.830 ( -0.107 0.000 -1.269) 1.273 0.859 ( -2.475 0.000 -4.583) 5.208 0.900 ( -0.211 0.000 -3.914) 3.919 0.997 ( 1.334 0.000 -4.985) 5.161 1.111 ( 0.182 0.000 0.645) 0.670 1.132 ( 4.342 0.000 -2.971) 5.261 1.234 ( -2.614 0.000 -0.364) 2.640 1.288 ( 2.138 0.000 -5.675) 6.064 1.314 ( 0.591 0.000 0.284) 0.656 1.399 ( -2.959 0.000 2.103) 3.630 1.433 ( -1.758 0.000 2.843) 3.343 1.482 ( 2.762 0.000 0.885) 2.900 1.569 ( -6.387 0.000 1.590) 6.582 1.604 ( -0.007 0.000 -0.027) 0.028 1.626 ( 4.493 0.000 -3.165) 5.496 1.632 ( 2.479 0.000 0.258) 2.493 1.722 ( 1.784 0.000 -5.017) 5.325 1.747 ( -4.307 0.000 -4.346) 6.119 1.801 ( 1.804 0.000 2.722) 3.266 1.823 ( -6.290 0.000 -2.725) 6.855 1.907 ( 2.111 0.000 0.261) 2.127 1.916 ( -1.489 0.000 1.498) 2.112 1.953 ( 1.080 0.000 3.628) 3.785 1.966 ( -0.630 0.000 -1.348) 1.488 2.057 ( 3.677 0.000 4.904) 6.129 2.117 ( 0.657 0.000 5.599) 5.637 2.154 ( 0.641 0.000 -0.936) 1.135 2.186 ( -0.111 0.000 -0.146) 0.183 2.303 ( 2.885 0.000 -3.045) 4.195 2.335 ( -0.195 0.000 2.910) 2.916 2.381 ( 1.675 0.000 -0.454) 1.735 2.476 ( 0.335 0.000 -3.275) 3.292 2.532 ( 0.886 0.000 -0.891) 1.257 2.536 ( -0.396 0.000 3.756) 3.777 2.606 ( 0.468 0.000 1.991) 2.045 2.609 ( -2.140 0.000 -2.882) 3.590 2.695 ( -3.175 0.000 -0.185) 3.180 2.744 ( -0.148 0.000 1.421) 1.429 2.828 ( -1.972 0.000 -2.352) 3.069 3.508 ( 0.314 0.000 1.233) 1.272 3.537 ( -0.105 0.000 0.489) 0.500 3.586 ( -0.100 0.000 0.711) 0.718 3.687 ( 0.170 0.000 -1.537) 1.547 3.947 ( -0.087 0.000 -1.360) 1.363 3.979 ( -0.034 0.000 -2.057) 2.057 4.023 ( 0.246 0.000 -0.069) 0.256 4.035 ( 0.960 0.000 -0.253) 0.993 4.129 ( -0.928 0.000 0.936) 1.318 4.133 ( 0.784 0.000 -0.423) 0.891 4.164 ( -0.845 0.000 0.517) 0.991 4.175 ( -0.778 0.000 -1.291) 1.507 4.180 ( 0.939 0.000 1.034) 1.397 4.274 ( -0.112 0.000 1.455) 1.459 4.286 ( 2.704 0.000 1.578) 3.131 4.305 ( 0.481 0.000 4.158) 4.186 4.368 ( -0.072 0.000 -0.222) 0.233 4.393 ( -2.383 0.000 -2.518) 3.467 4.442 ( -0.720 0.000 -1.519) 1.681 4.494 ( 1.877 0.000 -1.336) 2.304 4.747 ( 0.784 0.000 -0.479) 0.919 4.753 ( -0.553 0.000 -0.433) 0.703 4.803 ( -0.251 0.000 0.630) 0.678 4.831 ( 0.151 0.000 -0.202) 0.253 4.863 ( 0.136 0.000 -1.672) 1.678 4.904 ( -0.135 0.000 -1.759) 1.764 4.963 ( 0.222 0.000 2.395) 2.405 4.998 ( 0.057 0.000 1.061) 1.063 5.425 ( -0.304 0.000 -0.472) 0.561 5.458 ( 0.350 0.000 -0.848) 0.917 5.463 ( 0.015 0.000 0.911) 0.911 5.492 ( 0.856 0.000 -0.100) 0.861 6.405 ( 0.301 0.000 0.338) 0.452 6.412 ( 0.387 0.000 0.439) 0.585 6.427 ( -0.638 0.000 -0.397) 0.751 6.438 ( -0.119 0.000 0.028) 0.122 6.667 ( -0.069 0.000 0.055) 0.088 6.677 ( 0.236 0.000 0.537) 0.586 6.691 ( -0.563 0.000 -0.563) 0.796 6.713 ( 0.441 0.000 -0.051) 0.444 6.737 ( -0.054 0.000 0.532) 0.535 6.771 ( 0.169 0.000 -0.019) 0.170 6.777 ( -0.245 0.000 -0.517) 0.572 6.777 ( 1.999 0.000 -0.266) 2.017 6.886 ( -0.305 0.000 0.292) 0.422 6.895 ( 0.197 0.000 0.138) 0.240 6.903 ( 0.116 0.000 -0.120) 0.167 6.916 ( 0.109 0.000 -0.226) 0.251 7.209 ( -0.070 0.000 -0.029) 0.075 7.213 ( 0.403 0.000 0.014) 0.403 7.228 ( -0.404 0.000 -0.163) 0.435 7.231 ( -0.136 0.000 -0.164) 0.214 7.301 ( 0.390 0.000 -1.125) 1.190 7.312 ( -0.718 0.000 -1.118) 1.329 7.346 ( 0.140 0.000 0.444) 0.466 7.350 ( 0.515 0.000 0.477) 0.702 7.533 ( -0.847 0.000 0.908) 1.242 7.562 ( -1.068 0.000 1.677) 1.989 7.619 ( 0.714 0.000 -1.351) 1.528 7.649 ( 0.640 0.000 -0.150) 0.657 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 5.338 0.000 11.078) 12.297 0.532 ( 7.596 0.000 8.880) 11.686 0.756 ( 4.323 0.000 0.779) 4.393 0.837 ( 3.528 0.000 -1.293) 3.757 0.877 ( 7.398 0.000 8.389) 11.185 0.941 ( 7.554 0.000 -1.851) 7.777 0.970 ( 3.549 0.000 -5.926) 6.908 1.120 ( 0.157 0.000 3.244) 3.247 1.130 ( 0.630 0.000 -5.438) 5.474 1.207 ( 1.274 0.000 -1.650) 2.085 1.224 ( -0.980 0.000 -4.574) 4.677 1.336 ( -0.771 0.000 2.233) 2.362 1.356 ( -9.671 0.000 3.598) 10.319 1.391 ( -0.549 0.000 -0.290) 0.621 1.500 ( -1.799 0.000 0.652) 1.913 1.534 ( -1.636 0.000 2.566) 3.043 1.564 ( 1.178 0.000 -4.591) 4.739 1.619 ( -5.992 0.000 -2.600) 6.532 1.638 ( -0.324 0.000 -4.193) 4.206 1.704 ( 3.655 0.000 -2.814) 4.613 1.742 ( 6.673 0.000 -0.021) 6.673 1.766 ( 3.055 0.000 -0.601) 3.114 1.822 ( -1.669 0.000 1.377) 2.164 1.900 ( -2.493 0.000 0.043) 2.494 1.906 ( -1.366 0.000 3.019) 3.314 1.963 ( 0.570 0.000 -1.167) 1.299 2.061 ( 3.971 0.000 5.546) 6.821 2.128 ( -2.081 0.000 -0.469) 2.133 2.142 ( 1.892 0.000 3.129) 3.656 2.208 ( 2.663 0.000 -0.550) 2.719 2.221 ( 3.029 0.000 3.692) 4.776 2.300 ( -3.037 0.000 -5.274) 6.085 2.343 ( 4.040 0.000 -1.116) 4.191 2.395 ( -0.145 0.000 1.854) 1.860 2.430 ( -0.427 0.000 -5.899) 5.914 2.495 ( -4.547 0.000 -3.409) 5.683 2.536 ( -1.937 0.000 2.080) 2.842 2.557 ( 0.595 0.000 1.492) 1.606 2.634 ( -4.849 0.000 1.429) 5.056 2.675 ( 1.555 0.000 4.040) 4.329 2.744 ( -1.204 0.000 1.534) 1.950 2.764 ( -1.928 0.000 -2.338) 3.030 3.534 ( 0.734 0.000 1.576) 1.738 3.545 ( 0.481 0.000 0.448) 0.657 3.596 ( 0.203 0.000 0.951) 0.973 3.674 ( 0.589 0.000 -2.198) 2.275 3.923 ( -0.828 0.000 -1.507) 1.720 3.957 ( -0.329 0.000 -1.314) 1.354 4.015 ( -0.601 0.000 -1.133) 1.283 4.041 ( 0.024 0.000 -0.159) 0.161 4.128 ( -0.702 0.000 0.865) 1.114 4.143 ( 1.380 0.000 -0.818) 1.604 4.156 ( -1.298 0.000 1.356) 1.877 4.173 ( 1.612 0.000 -0.663) 1.743 4.222 ( 0.881 0.000 1.833) 2.034 4.258 ( -2.725 0.000 0.317) 2.743 4.327 ( 0.047 0.000 1.229) 1.230 4.338 ( -2.174 0.000 -0.537) 2.239 4.349 ( -0.572 0.000 0.827) 1.005 4.377 ( -3.334 0.000 -4.051) 5.246 4.395 ( 2.762 0.000 4.351) 5.153 4.460 ( -2.012 0.000 -2.434) 3.158 4.743 ( 0.285 0.000 -0.665) 0.723 4.758 ( 0.794 0.000 0.068) 0.797 4.809 ( 0.157 0.000 0.194) 0.249 4.831 ( 0.154 0.000 -0.449) 0.475 4.857 ( 0.584 0.000 -0.212) 0.621 4.878 ( -0.241 0.000 -1.535) 1.554 4.992 ( 0.210 0.000 2.078) 2.088 4.997 ( -0.967 0.000 0.565) 1.120 5.418 ( -0.064 0.000 -0.277) 0.285 5.457 ( 0.677 0.000 -0.731) 0.996 5.474 ( 0.134 0.000 0.634) 0.648 5.499 ( 0.346 0.000 -0.358) 0.498 6.410 ( -0.865 0.000 -0.539) 1.019 6.417 ( 0.452 0.000 0.662) 0.802 6.426 ( 0.487 0.000 0.720) 0.869 6.432 ( -0.387 0.000 -0.392) 0.551 6.677 ( 0.996 0.000 0.195) 1.015 6.684 ( 0.448 0.000 -0.363) 0.576 6.698 ( 1.381 0.000 0.641) 1.523 6.721 ( 0.972 0.000 -0.604) 1.144 6.744 ( 0.208 0.000 0.571) 0.607 6.767 ( -0.020 0.000 -0.636) 0.637 6.779 ( 0.705 0.000 -0.152) 0.721 6.793 ( 0.900 0.000 -0.618) 1.092 6.883 ( -0.373 0.000 0.212) 0.429 6.902 ( 0.357 0.000 0.244) 0.433 6.906 ( 0.232 0.000 0.005) 0.232 6.916 ( 0.321 0.000 -0.335) 0.463 7.203 ( -0.651 0.000 -0.047) 0.652 7.213 ( -0.917 0.000 0.400) 1.000 7.216 ( -0.413 0.000 -0.468) 0.624 7.226 ( -0.292 0.000 -0.221) 0.366 7.294 ( -0.015 0.000 -0.937) 0.937 7.300 ( 0.642 0.000 -0.521) 0.827 7.354 ( 0.557 0.000 -0.039) 0.558 7.364 ( 0.597 0.000 0.378) 0.707 7.526 ( -1.054 0.000 0.822) 1.337 7.560 ( -1.388 0.000 1.553) 2.083 7.615 ( 0.486 0.000 -1.166) 1.263 7.655 ( 0.310 0.000 -0.254) 0.401 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 4.602 0.000 8.225) 9.425 0.692 ( 0.837 0.000 2.211) 2.364 0.817 ( 5.052 0.000 -3.113) 5.934 0.863 ( 2.627 0.000 -2.192) 3.421 0.977 ( 3.193 0.000 -5.701) 6.535 0.998 ( 5.916 0.000 -1.170) 6.031 1.044 ( -1.889 0.000 -5.602) 5.912 1.057 ( 2.694 0.000 2.342) 3.570 1.222 ( 4.564 0.000 0.970) 4.666 1.236 ( 3.518 0.000 -0.805) 3.609 1.237 ( 8.573 0.000 -0.383) 8.581 1.272 ( -2.277 0.000 4.502) 5.045 1.334 ( -0.596 0.000 1.023) 1.184 1.375 ( -0.877 0.000 -1.668) 1.884 1.474 ( -1.486 0.000 1.014) 1.799 1.497 ( -1.943 0.000 -3.364) 3.885 1.551 ( -1.555 0.000 4.041) 4.330 1.578 ( 2.561 0.000 -0.418) 2.595 1.616 ( 1.191 0.000 -1.166) 1.666 1.733 ( 1.363 0.000 -1.944) 2.374 1.760 ( -4.209 0.000 0.971) 4.319 1.824 ( 4.748 0.000 -2.992) 5.612 1.850 ( 3.420 0.000 -0.235) 3.428 1.863 ( -1.537 0.000 2.150) 2.643 1.923 ( -3.579 0.000 -0.420) 3.604 1.925 ( -1.614 0.000 3.177) 3.563 2.111 ( -0.213 0.000 -3.219) 3.226 2.133 ( -4.670 0.000 -4.182) 6.269 2.145 ( 0.582 0.000 0.767) 0.963 2.200 ( 1.985 0.000 1.947) 2.780 2.265 ( 3.203 0.000 -1.128) 3.396 2.277 ( 1.000 0.000 2.001) 2.237 2.296 ( -4.898 0.000 -7.639) 9.075 2.403 ( 2.233 0.000 2.361) 3.250 2.416 ( -2.077 0.000 -3.373) 3.961 2.444 ( 1.489 0.000 4.694) 4.924 2.528 ( -1.736 0.000 0.388) 1.779 2.558 ( -1.840 0.000 -0.481) 1.902 2.601 ( -2.431 0.000 3.933) 4.624 2.720 ( -1.126 0.000 -1.057) 1.544 2.724 ( -0.188 0.000 4.779) 4.783 2.772 ( 1.975 0.000 1.930) 2.761 3.560 ( 0.804 0.000 0.107) 0.811 3.562 ( 0.507 0.000 1.312) 1.406 3.616 ( 0.659 0.000 1.267) 1.429 3.660 ( 0.948 0.000 -2.188) 2.385 3.892 ( -0.975 0.000 -1.112) 1.479 3.937 ( -0.865 0.000 -0.633) 1.072 3.988 ( -0.452 0.000 -1.625) 1.687 4.035 ( -0.574 0.000 -0.144) 0.591 4.120 ( -1.794 0.000 1.132) 2.121 4.147 ( -1.212 0.000 0.948) 1.538 4.161 ( 0.272 0.000 0.940) 0.978 4.179 ( -0.843 0.000 -1.371) 1.610 4.224 ( -0.870 0.000 0.409) 0.962 4.231 ( -0.792 0.000 -0.199) 0.816 4.248 ( -4.655 0.000 -4.488) 6.466 4.284 ( -3.063 0.000 -0.404) 3.090 4.314 ( -1.080 0.000 -0.402) 1.152 4.390 ( -2.963 0.000 -2.422) 3.827 4.405 ( 2.104 0.000 2.794) 3.497 4.476 ( 2.506 0.000 2.222) 3.349 4.749 ( 1.168 0.000 -0.558) 1.295 4.770 ( 0.431 0.000 0.168) 0.462 4.810 ( -0.053 0.000 0.034) 0.063 4.828 ( 0.096 0.000 -0.378) 0.390 4.873 ( 1.080 0.000 -0.552) 1.213 4.874 ( 0.832 0.000 0.892) 1.219 4.984 ( -0.942 0.000 0.075) 0.945 5.013 ( -0.013 0.000 1.114) 1.114 5.418 ( 0.183 0.000 0.061) 0.193 5.462 ( 0.818 0.000 -0.628) 1.031 5.481 ( 0.153 0.000 0.304) 0.340 5.497 ( 0.079 0.000 -0.489) 0.495 6.389 ( -0.907 0.000 -0.420) 0.999 6.419 ( -0.452 0.000 -0.552) 0.713 6.432 ( 0.431 0.000 0.680) 0.805 6.441 ( 0.357 0.000 0.526) 0.635 6.696 ( 1.116 0.000 -0.037) 1.116 6.699 ( 1.180 0.000 0.361) 1.234 6.723 ( 0.836 0.000 0.175) 0.854 6.733 ( 1.426 0.000 -0.696) 1.587 6.764 ( 0.598 0.000 -0.599) 0.847 6.764 ( 1.608 0.000 0.721) 1.762 6.787 ( 0.666 0.000 -0.498) 0.832 6.800 ( 0.646 0.000 -0.343) 0.732 6.879 ( -0.344 0.000 0.226) 0.412 6.909 ( 0.361 0.000 -0.304) 0.471 6.910 ( 0.312 0.000 0.177) 0.359 6.919 ( 0.475 0.000 -0.330) 0.578 7.189 ( -0.931 0.000 -0.089) 0.935 7.193 ( -1.345 0.000 -0.173) 1.356 7.207 ( -0.883 0.000 0.418) 0.977 7.215 ( -0.793 0.000 -0.186) 0.815 7.290 ( 0.486 0.000 -0.575) 0.753 7.310 ( 0.839 0.000 0.163) 0.855 7.364 ( 0.958 0.000 -0.276) 0.997 7.376 ( 0.437 0.000 0.207) 0.484 7.519 ( -0.975 0.000 0.805) 1.265 7.553 ( -1.395 0.000 1.362) 1.950 7.609 ( 0.343 0.000 -1.027) 1.083 7.652 ( -0.048 0.000 -0.537) 0.539 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -4.343 0.000 -0.873) 4.430 0.771 ( 2.674 0.000 5.411) 6.035 0.821 ( 1.183 0.000 -2.982) 3.208 0.823 ( 0.135 0.000 -8.793) 8.794 0.972 ( 0.491 0.000 -1.500) 1.578 1.037 ( 2.900 0.000 2.660) 3.935 1.060 ( 2.307 0.000 -1.006) 2.516 1.118 ( 1.972 0.000 2.734) 3.371 1.254 ( 3.936 0.000 -1.588) 4.245 1.296 ( 4.524 0.000 -0.758) 4.587 1.329 ( 0.759 0.000 -1.259) 1.470 1.371 ( 3.800 0.000 2.656) 4.637 1.372 ( 3.992 0.000 -0.806) 4.073 1.400 ( 6.501 0.000 -0.315) 6.508 1.473 ( -1.609 0.000 3.241) 3.618 1.497 ( 3.322 0.000 -1.648) 3.709 1.572 ( 0.036 0.000 1.650) 1.651 1.605 ( 1.050 0.000 1.842) 2.120 1.621 ( -0.175 0.000 -0.300) 0.347 1.700 ( -1.252 0.000 -0.705) 1.437 1.718 ( -1.758 0.000 1.876) 2.571 1.823 ( -4.750 0.000 1.337) 4.935 1.843 ( -3.033 0.000 -2.084) 3.680 1.877 ( 1.823 0.000 -1.681) 2.480 1.921 ( 4.088 0.000 -0.445) 4.112 1.941 ( 0.620 0.000 2.906) 2.972 1.983 ( -1.379 0.000 -3.537) 3.797 2.103 ( -3.569 0.000 -6.601) 7.504 2.118 ( -1.656 0.000 -2.488) 2.989 2.171 ( -0.387 0.000 0.834) 0.919 2.233 ( -1.091 0.000 2.515) 2.742 2.284 ( -1.857 0.000 -0.373) 1.894 2.319 ( -0.236 0.000 3.365) 3.373 2.352 ( 1.293 0.000 -3.655) 3.877 2.423 ( -2.809 0.000 -1.083) 3.011 2.497 ( 1.182 0.000 -0.012) 1.182 2.521 ( -1.042 0.000 -1.859) 2.132 2.530 ( 2.078 0.000 2.512) 3.260 2.600 ( -2.512 0.000 2.532) 3.566 2.702 ( -0.074 0.000 -0.733) 0.736 2.779 ( 1.665 0.000 0.148) 1.672 2.829 ( 1.149 0.000 3.266) 3.462 3.567 ( 0.371 0.000 -0.517) 0.636 3.575 ( -0.064 0.000 0.300) 0.307 3.640 ( 0.473 0.000 1.103) 1.200 3.660 ( 1.695 0.000 -1.484) 2.253 3.872 ( -0.593 0.000 0.027) 0.593 3.918 ( -1.212 0.000 0.511) 1.315 3.971 ( 0.697 0.000 -1.747) 1.881 4.021 ( -0.856 0.000 -0.196) 0.878 4.093 ( -3.145 0.000 1.074) 3.323 4.102 ( -4.134 0.000 -1.697) 4.469 4.130 ( -1.998 0.000 0.583) 2.081 4.167 ( -1.594 0.000 1.516) 2.200 4.174 ( -0.946 0.000 -0.727) 1.193 4.210 ( -0.164 0.000 -0.900) 0.914 4.222 ( -0.487 0.000 -0.396) 0.628 4.240 ( -1.664 0.000 -0.423) 1.717 4.297 ( -0.015 0.000 -1.454) 1.454 4.330 ( -1.395 0.000 -0.538) 1.495 4.457 ( 1.337 0.000 1.069) 1.711 4.523 ( 1.470 0.000 0.349) 1.511 4.767 ( 1.605 0.000 -0.301) 1.633 4.776 ( 0.169 0.000 0.128) 0.212 4.810 ( -0.208 0.000 0.273) 0.343 4.826 ( -0.110 0.000 0.092) 0.144 4.891 ( 1.321 0.000 -0.094) 1.324 4.895 ( 0.444 0.000 0.619) 0.762 4.970 ( -0.572 0.000 -0.270) 0.632 5.016 ( -0.190 0.000 -0.283) 0.340 5.425 ( 0.253 0.000 0.450) 0.516 5.469 ( 0.746 0.000 -0.440) 0.866 5.485 ( 0.083 0.000 0.022) 0.086 5.492 ( 0.071 0.000 -0.454) 0.460 6.373 ( -0.634 0.000 -0.055) 0.636 6.408 ( -0.230 0.000 -0.397) 0.459 6.444 ( 0.261 0.000 0.320) 0.413 6.447 ( 0.040 0.000 0.008) 0.041 6.715 ( 0.245 0.000 0.209) 0.322 6.715 ( 1.014 0.000 0.221) 1.038 6.737 ( 0.815 0.000 0.234) 0.848 6.748 ( 1.198 0.000 -0.500) 1.299 6.773 ( 1.094 0.000 -0.246) 1.122 6.791 ( 0.714 0.000 -0.569) 0.913 6.801 ( 1.637 0.000 0.220) 1.651 6.807 ( 0.692 0.000 0.108) 0.701 6.877 ( -0.298 0.000 0.345) 0.456 6.911 ( 0.475 0.000 -0.446) 0.651 6.915 ( 0.175 0.000 0.048) 0.181 6.923 ( 0.511 0.000 -0.391) 0.643 7.170 ( -1.262 0.000 0.023) 1.262 7.172 ( -0.862 0.000 -0.218) 0.889 7.198 ( -0.819 0.000 0.474) 0.947 7.198 ( -0.973 0.000 0.047) 0.974 7.293 ( 0.411 0.000 -0.161) 0.441 7.327 ( 0.585 0.000 0.445) 0.735 7.377 ( 1.045 0.000 -0.416) 1.125 7.382 ( 0.192 0.000 -0.079) 0.207 7.514 ( -0.735 0.000 0.838) 1.114 7.547 ( -1.155 0.000 1.339) 1.768 7.604 ( 0.441 0.000 -0.887) 0.990 7.643 ( -0.138 0.000 -0.761) 0.773 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.195 0.000 1.926) 1.936 0.779 ( 1.583 0.000 -3.449) 3.795 0.832 ( 5.666 0.000 3.226) 6.520 0.883 ( -1.286 0.000 7.311) 7.423 0.952 ( -0.413 0.000 -2.562) 2.595 1.070 ( 0.799 0.000 -1.135) 1.388 1.102 ( -0.373 0.000 4.337) 4.354 1.168 ( 1.445 0.000 -0.049) 1.446 1.270 ( 3.329 0.000 -2.590) 4.218 1.340 ( 3.339 0.000 -4.529) 5.627 1.350 ( -3.034 0.000 1.267) 3.288 1.414 ( 4.057 0.000 -2.590) 4.813 1.420 ( 2.146 0.000 1.677) 2.724 1.449 ( 0.119 0.000 -0.526) 0.539 1.493 ( -2.406 0.000 3.813) 4.508 1.525 ( 1.820 0.000 2.469) 3.067 1.573 ( -0.774 0.000 0.048) 0.776 1.623 ( -2.537 0.000 1.733) 3.072 1.655 ( 5.642 0.000 0.912) 5.715 1.688 ( -0.834 0.000 -2.486) 2.622 1.706 ( -3.838 0.000 -1.853) 4.262 1.771 ( -1.396 0.000 0.893) 1.657 1.785 ( -0.470 0.000 -0.117) 0.484 1.892 ( -4.376 0.000 2.708) 5.146 1.935 ( 3.908 0.000 -3.290) 5.109 1.994 ( 0.066 0.000 0.838) 0.840 2.020 ( 5.327 0.000 4.590) 7.032 2.032 ( 3.929 0.000 -3.165) 5.045 2.068 ( 0.857 0.000 -0.638) 1.068 2.180 ( -2.099 0.000 -0.691) 2.210 2.227 ( -0.627 0.000 -0.523) 0.817 2.232 ( -2.144 0.000 2.456) 3.260 2.292 ( -5.195 0.000 -0.553) 5.224 2.366 ( 0.017 0.000 -2.944) 2.944 2.376 ( 3.071 0.000 -0.870) 3.191 2.484 ( -0.392 0.000 -1.956) 1.995 2.508 ( -0.138 0.000 -1.437) 1.443 2.564 ( 0.159 0.000 -0.244) 0.291 2.580 ( -2.207 0.000 0.860) 2.369 2.694 ( 0.307 0.000 -1.083) 1.126 2.750 ( -0.895 0.000 -6.204) 6.268 2.856 ( -0.917 0.000 0.277) 0.957 3.565 ( 0.290 0.000 -0.695) 0.753 3.567 ( -0.469 0.000 -0.698) 0.840 3.651 ( -0.304 0.000 0.457) 0.549 3.680 ( 1.753 0.000 -0.503) 1.824 3.874 ( -0.089 0.000 1.215) 1.218 3.913 ( -0.803 0.000 1.436) 1.645 3.970 ( 1.478 0.000 -1.546) 2.139 4.005 ( -0.401 0.000 -0.536) 0.670 4.055 ( -0.366 0.000 1.518) 1.561 4.070 ( -2.207 0.000 1.963) 2.954 4.101 ( -1.787 0.000 0.025) 1.787 4.151 ( -0.884 0.000 0.240) 0.916 4.166 ( -0.071 0.000 0.477) 0.482 4.206 ( -0.037 0.000 -0.528) 0.529 4.211 ( 0.168 0.000 0.087) 0.189 4.222 ( -0.076 0.000 0.040) 0.086 4.281 ( 0.665 0.000 -1.626) 1.757 4.334 ( 0.371 0.000 1.461) 1.507 4.465 ( -0.344 0.000 -1.455) 1.495 4.534 ( 0.261 0.000 -0.908) 0.944 4.781 ( 0.056 0.000 0.463) 0.466 4.791 ( 1.475 0.000 -0.041) 1.476 4.809 ( -0.226 0.000 0.254) 0.340 4.825 ( -0.627 0.000 0.632) 0.890 4.897 ( -0.352 0.000 -0.385) 0.521 4.907 ( 0.566 0.000 0.005) 0.566 4.959 ( -0.165 0.000 -0.645) 0.666 5.003 ( -0.095 0.000 -1.418) 1.421 5.433 ( -0.046 0.000 0.681) 0.683 5.476 ( 0.516 0.000 -0.182) 0.547 5.485 ( -0.016 0.000 -0.180) 0.181 5.490 ( 0.236 0.000 -0.311) 0.391 6.369 ( -0.113 0.000 0.464) 0.477 6.404 ( 0.152 0.000 -0.057) 0.162 6.441 ( -0.229 0.000 -0.689) 0.726 6.448 ( -0.051 0.000 -0.194) 0.201 6.717 ( 0.007 0.000 0.060) 0.060 6.727 ( 0.184 0.000 0.001) 0.184 6.751 ( 0.154 0.000 0.546) 0.567 6.759 ( 0.641 0.000 -0.206) 0.674 6.789 ( 0.795 0.000 0.189) 0.817 6.802 ( 0.768 0.000 0.132) 0.779 6.810 ( 0.353 0.000 -0.219) 0.415 6.827 ( 0.404 0.000 0.173) 0.439 6.877 ( -0.291 0.000 0.450) 0.536 6.914 ( 0.425 0.000 -0.484) 0.644 6.917 ( 0.014 0.000 -0.042) 0.044 6.927 ( 0.453 0.000 -0.365) 0.582 7.155 ( -0.615 0.000 0.083) 0.621 7.159 ( -0.310 0.000 -0.354) 0.471 7.188 ( -0.399 0.000 0.298) 0.498 7.190 ( -0.582 0.000 0.199) 0.615 7.301 ( 0.338 0.000 0.477) 0.584 7.336 ( -0.038 0.000 0.346) 0.348 7.380 ( -0.080 0.000 -0.469) 0.475 7.386 ( 0.629 0.000 -0.576) 0.852 7.513 ( -0.538 0.000 0.886) 1.037 7.546 ( -0.918 0.000 1.508) 1.765 7.604 ( 0.687 0.000 -0.807) 1.060 7.633 ( 0.132 0.000 -0.767) 0.778 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 4.235 0.000 9.170) 10.101 0.780 ( 1.616 0.000 -2.212) 2.740 0.878 ( -6.669 0.000 4.340) 7.957 0.891 ( -1.232 0.000 -2.842) 3.098 1.008 ( 6.641 0.000 5.027) 8.329 1.053 ( -2.126 0.000 -0.310) 2.148 1.107 ( -2.970 0.000 1.903) 3.528 1.161 ( 1.098 0.000 -5.108) 5.225 1.272 ( -5.955 0.000 0.867) 6.017 1.305 ( -0.796 0.000 -4.890) 4.955 1.333 ( 2.319 0.000 2.752) 3.598 1.419 ( -6.572 0.000 4.246) 7.824 1.443 ( 1.066 0.000 -0.641) 1.244 1.465 ( -0.116 0.000 -0.077) 0.139 1.488 ( 2.387 0.000 -0.938) 2.565 1.553 ( 1.002 0.000 0.842) 1.309 1.599 ( -0.817 0.000 1.026) 1.312 1.606 ( -4.468 0.000 -3.408) 5.619 1.613 ( -2.291 0.000 -0.762) 2.415 1.644 ( 0.853 0.000 5.061) 5.133 1.724 ( 0.368 0.000 -1.142) 1.200 1.767 ( 1.624 0.000 -0.885) 1.849 1.790 ( 0.494 0.000 1.996) 2.056 1.855 ( -1.243 0.000 0.042) 1.244 1.931 ( -2.174 0.000 -1.871) 2.868 2.014 ( 0.287 0.000 2.014) 2.035 2.068 ( 4.721 0.000 2.495) 5.339 2.123 ( 0.434 0.000 -4.431) 4.452 2.151 ( 3.588 0.000 1.603) 3.930 2.196 ( 6.095 0.000 0.753) 6.142 2.215 ( -1.913 0.000 -0.518) 1.982 2.230 ( 0.998 0.000 -0.566) 1.147 2.255 ( 3.457 0.000 5.276) 6.308 2.306 ( -2.830 0.000 -3.821) 4.755 2.419 ( 2.507 0.000 0.631) 2.585 2.439 ( -3.043 0.000 -5.396) 6.195 2.477 ( 1.511 0.000 -1.582) 2.187 2.538 ( -1.654 0.000 -1.494) 2.228 2.545 ( -2.314 0.000 -0.334) 2.338 2.646 ( -1.404 0.000 -7.399) 7.531 2.696 ( 0.945 0.000 0.315) 0.996 2.812 ( -2.224 0.000 -2.407) 3.277 3.548 ( -0.588 0.000 -1.015) 1.173 3.560 ( 0.135 0.000 -0.929) 0.938 3.641 ( -1.138 0.000 -0.070) 1.140 3.697 ( 0.890 0.000 -0.265) 0.928 3.893 ( 0.382 0.000 1.543) 1.589 3.925 ( 0.227 0.000 1.570) 1.586 3.983 ( 1.841 0.000 -1.197) 2.196 4.000 ( 0.783 0.000 -0.886) 1.183 4.062 ( -0.733 0.000 1.658) 1.812 4.080 ( -0.617 0.000 -0.032) 0.618 4.108 ( 2.693 0.000 1.732) 3.202 4.159 ( 1.971 0.000 -0.149) 1.976 4.198 ( 2.138 0.000 2.739) 3.475 4.205 ( 0.387 0.000 -0.232) 0.452 4.208 ( 0.143 0.000 -0.586) 0.603 4.232 ( -0.063 0.000 0.902) 0.905 4.301 ( 2.253 0.000 0.298) 2.273 4.358 ( 0.336 0.000 2.234) 2.259 4.417 ( -1.840 0.000 -3.520) 3.972 4.505 ( -1.477 0.000 -2.820) 3.183 4.782 ( -0.602 0.000 0.290) 0.668 4.805 ( -0.394 0.000 0.436) 0.588 4.814 ( 0.313 0.000 0.719) 0.784 4.824 ( 0.135 0.000 0.276) 0.307 4.884 ( -0.520 0.000 -0.166) 0.546 4.909 ( -0.412 0.000 0.075) 0.419 4.951 ( 0.354 0.000 -0.931) 0.996 4.981 ( -0.138 0.000 -2.171) 2.175 5.438 ( -0.382 0.000 0.890) 0.969 5.480 ( -0.094 0.000 -0.249) 0.266 5.480 ( 0.086 0.000 -0.083) 0.119 5.492 ( 0.344 0.000 -0.395) 0.524 6.380 ( 0.384 0.000 0.912) 0.989 6.411 ( 0.485 0.000 0.296) 0.568 6.426 ( -0.326 0.000 -1.033) 1.083 6.439 ( -0.284 0.000 -0.770) 0.820 6.718 ( -0.120 0.000 0.158) 0.199 6.723 ( -0.469 0.000 -0.112) 0.482 6.751 ( -0.744 0.000 0.321) 0.810 6.765 ( 0.134 0.000 0.067) 0.150 6.800 ( -0.079 0.000 0.627) 0.632 6.810 ( -0.287 0.000 -0.235) 0.371 6.812 ( -0.111 0.000 0.354) 0.371 6.819 ( -1.086 0.000 -0.201) 1.104 6.878 ( -0.227 0.000 0.463) 0.516 6.914 ( 0.219 0.000 -0.494) 0.540 6.914 ( -0.184 0.000 -0.151) 0.238 6.928 ( 0.156 0.000 -0.261) 0.304 7.153 ( 0.416 0.000 -0.078) 0.423 7.158 ( 0.630 0.000 -0.216) 0.666 7.187 ( 0.063 0.000 0.192) 0.202 7.193 ( 0.524 0.000 0.332) 0.620 7.313 ( 0.116 0.000 0.954) 0.961 7.334 ( -0.546 0.000 0.313) 0.630 7.369 ( -0.280 0.000 -0.888) 0.931 7.384 ( 0.015 0.000 -0.619) 0.619 7.516 ( -0.428 0.000 0.950) 1.042 7.549 ( -0.895 0.000 1.549) 1.789 7.608 ( 0.928 0.000 -0.861) 1.266 7.630 ( 0.477 0.000 -0.726) 0.869 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -8.329 0.000 -1.400) 8.446 0.728 ( -6.809 0.000 -0.751) 6.850 0.837 ( -1.104 0.000 0.180) 1.119 0.946 ( 3.065 0.000 5.963) 6.704 0.993 ( -3.719 0.000 -1.747) 4.110 1.074 ( -2.254 0.000 0.114) 2.257 1.095 ( -0.590 0.000 -3.994) 4.037 1.120 ( 3.327 0.000 -0.285) 3.339 1.209 ( -1.626 0.000 -1.493) 2.208 1.254 ( 0.418 0.000 -1.266) 1.333 1.271 ( -13.474 0.000 5.328) 14.489 1.386 ( -3.540 0.000 -2.476) 4.320 1.421 ( -4.312 0.000 0.731) 4.373 1.422 ( -5.644 0.000 2.019) 5.995 1.470 ( -2.125 0.000 -2.045) 2.949 1.547 ( 1.736 0.000 0.095) 1.738 1.576 ( -0.578 0.000 5.378) 5.409 1.621 ( 0.120 0.000 3.086) 3.088 1.625 ( 5.054 0.000 -1.148) 5.182 1.698 ( -2.808 0.000 0.128) 2.811 1.709 ( 2.586 0.000 -1.006) 2.774 1.781 ( 1.028 0.000 -2.105) 2.343 1.782 ( 1.668 0.000 -0.429) 1.722 1.904 ( 5.192 0.000 3.796) 6.432 1.928 ( -0.549 0.000 0.615) 0.824 1.955 ( -4.377 0.000 -2.345) 4.966 2.093 ( 0.729 0.000 -1.153) 1.364 2.119 ( -3.836 0.000 -4.928) 6.245 2.162 ( -3.419 0.000 -2.891) 4.478 2.196 ( 1.407 0.000 -1.619) 2.145 2.256 ( 1.806 0.000 -3.874) 4.274 2.277 ( 2.683 0.000 1.172) 2.928 2.284 ( 8.268 0.000 5.711) 10.049 2.383 ( 3.226 0.000 -1.680) 3.637 2.399 ( 1.905 0.000 1.234) 2.270 2.464 ( 1.902 0.000 3.246) 3.763 2.480 ( -2.724 0.000 -2.598) 3.764 2.495 ( 2.638 0.000 -0.115) 2.640 2.527 ( 1.274 0.000 0.604) 1.410 2.554 ( -1.006 0.000 -3.793) 3.924 2.737 ( 1.945 0.000 2.591) 3.240 2.752 ( -1.440 0.000 -2.563) 2.940 3.529 ( -0.591 0.000 -0.594) 0.837 3.549 ( -0.228 0.000 -0.781) 0.814 3.616 ( -1.511 0.000 -0.232) 1.529 3.707 ( 0.617 0.000 -0.058) 0.620 3.918 ( 0.798 0.000 1.109) 1.366 3.953 ( 0.875 0.000 1.570) 1.797 3.997 ( 1.545 0.000 -1.197) 1.955 4.007 ( 1.357 0.000 -1.164) 1.788 4.085 ( 1.317 0.000 1.473) 1.976 4.086 ( 1.122 0.000 0.530) 1.241 4.163 ( 2.703 0.000 0.279) 2.717 4.198 ( 0.095 0.000 0.714) 0.721 4.203 ( 0.459 0.000 -0.448) 0.642 4.214 ( 3.469 0.000 -0.941) 3.594 4.226 ( -0.707 0.000 -0.957) 1.190 4.282 ( 2.146 0.000 0.864) 2.313 4.334 ( 1.727 0.000 2.525) 3.059 4.337 ( -2.208 0.000 -4.155) 4.705 4.416 ( 2.226 0.000 3.386) 4.052 4.425 ( -2.985 0.000 -4.252) 5.195 4.770 ( -0.907 0.000 -0.140) 0.918 4.793 ( -1.414 0.000 0.609) 1.540 4.831 ( 0.505 0.000 -0.288) 0.581 4.831 ( 0.178 0.000 1.079) 1.094 4.886 ( -0.141 0.000 1.442) 1.449 4.899 ( -0.582 0.000 0.244) 0.631 4.950 ( -0.301 0.000 -2.565) 2.583 4.951 ( 0.675 0.000 -0.841) 1.079 5.442 ( -0.502 0.000 1.060) 1.173 5.471 ( -0.402 0.000 -0.501) 0.642 5.480 ( -0.234 0.000 -0.025) 0.235 5.491 ( 0.350 0.000 -0.730) 0.809 6.400 ( 0.620 0.000 1.087) 1.251 6.410 ( -0.201 0.000 -1.010) 1.030 6.424 ( -0.323 0.000 -0.959) 1.012 6.425 ( 0.546 0.000 0.464) 0.717 6.712 ( -0.771 0.000 0.023) 0.771 6.715 ( -0.584 0.000 0.240) 0.632 6.735 ( -1.331 0.000 -0.061) 1.333 6.764 ( -0.483 0.000 0.176) 0.514 6.782 ( -2.218 0.000 -0.340) 2.244 6.800 ( -1.010 0.000 0.889) 1.346 6.804 ( -0.738 0.000 -0.174) 0.758 6.804 ( -0.450 0.000 -0.597) 0.748 6.880 ( -0.117 0.000 0.423) 0.439 6.908 ( -0.322 0.000 -0.261) 0.414 6.909 ( -0.064 0.000 -0.471) 0.475 6.926 ( -0.105 0.000 -0.207) 0.232 7.165 ( 1.177 0.000 -0.207) 1.195 7.173 ( 1.231 0.000 0.043) 1.231 7.198 ( 0.860 0.000 0.406) 0.950 7.210 ( 0.959 0.000 0.235) 0.988 7.324 ( -0.287 0.000 1.138) 1.174 7.328 ( -0.603 0.000 0.430) 0.740 7.352 ( -0.284 0.000 -1.210) 1.243 7.374 ( -0.415 0.000 -0.525) 0.669 7.521 ( -0.357 0.000 1.035) 1.094 7.551 ( -0.931 0.000 1.442) 1.716 7.614 ( 1.114 0.000 -1.025) 1.514 7.631 ( 0.617 0.000 -0.774) 0.989 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -13.225 0.000 -5.170) 14.199 0.557 ( -13.455 0.000 0.106) 13.456 0.807 ( -2.923 0.000 -0.322) 2.941 0.897 ( -10.966 0.000 -4.525) 11.863 0.975 ( -2.879 0.000 3.027) 4.178 0.994 ( -10.746 0.000 4.852) 11.790 1.054 ( 3.575 0.000 -4.951) 6.107 1.112 ( 0.107 0.000 -2.936) 2.938 1.137 ( -4.348 0.000 0.731) 4.410 1.211 ( -1.186 0.000 3.017) 3.242 1.254 ( 3.267 0.000 -1.255) 3.499 1.301 ( -2.245 0.000 0.756) 2.369 1.327 ( -1.184 0.000 -2.398) 2.674 1.447 ( 5.279 0.000 0.483) 5.301 1.479 ( -0.782 0.000 1.572) 1.756 1.566 ( -0.648 0.000 -2.355) 2.443 1.578 ( -4.251 0.000 3.386) 5.435 1.635 ( -3.086 0.000 1.137) 3.289 1.691 ( 3.829 0.000 5.397) 6.617 1.698 ( 4.418 0.000 -1.685) 4.728 1.793 ( 5.202 0.000 -0.480) 5.224 1.795 ( 1.395 0.000 0.219) 1.413 1.809 ( 1.464 0.000 0.836) 1.685 1.863 ( -2.285 0.000 -1.691) 2.843 1.871 ( -4.110 0.000 -3.692) 5.525 1.978 ( -4.631 0.000 -4.669) 6.576 2.004 ( 1.420 0.000 1.753) 2.256 2.101 ( -2.996 0.000 0.622) 3.060 2.136 ( 1.910 0.000 3.736) 4.196 2.178 ( 1.427 0.000 -2.996) 3.319 2.207 ( -3.489 0.000 -2.321) 4.190 2.333 ( 3.397 0.000 -2.837) 4.426 2.348 ( -3.504 0.000 -2.461) 4.282 2.395 ( 0.234 0.000 -3.952) 3.959 2.439 ( 2.425 0.000 0.832) 2.564 2.447 ( 3.927 0.000 2.283) 4.542 2.516 ( 2.323 0.000 -1.700) 2.879 2.562 ( 2.802 0.000 3.595) 4.558 2.573 ( 3.400 0.000 1.413) 3.682 2.619 ( 4.506 0.000 4.698) 6.510 2.711 ( -0.443 0.000 -1.806) 1.859 2.806 ( 1.972 0.000 3.180) 3.742 3.515 ( -0.791 0.000 -0.080) 0.795 3.539 ( -0.336 0.000 -0.084) 0.346 3.592 ( -1.081 0.000 -0.074) 1.084 3.715 ( 0.566 0.000 -0.330) 0.655 3.941 ( 0.988 0.000 0.331) 1.042 3.985 ( 0.807 0.000 1.793) 1.967 4.008 ( 1.855 0.000 -1.894) 2.652 4.015 ( 1.233 0.000 -1.289) 1.784 4.125 ( 1.980 0.000 1.584) 2.536 4.126 ( 0.852 0.000 1.791) 1.983 4.184 ( -1.322 0.000 -1.048) 1.688 4.196 ( -0.678 0.000 -0.295) 0.740 4.200 ( 1.753 0.000 -0.191) 1.763 4.206 ( 0.479 0.000 0.154) 0.503 4.239 ( -0.772 0.000 -4.866) 4.926 4.293 ( 0.956 0.000 -0.382) 1.030 4.293 ( 3.201 0.000 -0.645) 3.265 4.339 ( -2.462 0.000 -1.987) 3.164 4.410 ( 2.455 0.000 2.229) 3.316 4.478 ( 1.448 0.000 1.505) 2.089 4.754 ( -0.565 0.000 -0.392) 0.687 4.779 ( -1.115 0.000 0.556) 1.246 4.830 ( -1.172 0.000 0.204) 1.189 4.833 ( 0.176 0.000 -0.204) 0.270 4.906 ( 0.058 0.000 2.015) 2.016 4.909 ( 0.658 0.000 1.050) 1.239 4.917 ( -0.321 0.000 -2.383) 2.404 4.950 ( 0.300 0.000 -0.600) 0.671 5.446 ( -0.495 0.000 1.059) 1.169 5.457 ( -0.518 0.000 -0.652) 0.833 5.473 ( -0.276 0.000 -0.319) 0.421 5.486 ( 0.159 0.000 -0.790) 0.805 6.399 ( 0.015 0.000 -0.664) 0.664 6.410 ( -0.132 0.000 -0.656) 0.669 6.421 ( 0.504 0.000 0.915) 1.044 6.436 ( 0.240 0.000 0.324) 0.403 6.701 ( -1.575 0.000 0.329) 1.609 6.702 ( -0.608 0.000 0.284) 0.671 6.710 ( -1.457 0.000 -0.321) 1.492 6.747 ( -1.447 0.000 -0.058) 1.448 6.750 ( -1.322 0.000 -0.222) 1.341 6.784 ( -0.916 0.000 -0.077) 0.919 6.786 ( -0.526 0.000 -1.402) 1.498 6.796 ( -0.721 0.000 0.380) 0.815 6.883 ( -0.094 0.000 0.386) 0.397 6.899 ( -0.304 0.000 -0.233) 0.383 6.903 ( -0.159 0.000 -0.285) 0.326 6.921 ( -0.148 0.000 -0.186) 0.237 7.184 ( 1.352 0.000 -0.181) 1.364 7.193 ( 1.042 0.000 0.108) 1.048 7.219 ( 0.999 0.000 0.280) 1.038 7.225 ( 0.659 0.000 0.113) 0.669 7.323 ( -0.237 0.000 -0.399) 0.464 7.331 ( -0.425 0.000 1.166) 1.241 7.337 ( -0.140 0.000 -0.510) 0.529 7.359 ( -0.710 0.000 -0.555) 0.901 7.527 ( -0.345 0.000 1.111) 1.163 7.553 ( -0.804 0.000 1.437) 1.647 7.620 ( 1.224 0.000 -1.336) 1.812 7.633 ( 0.633 0.000 -0.604) 0.875 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( -12.088 0.000 4.052) 12.749 0.331 ( -16.241 0.000 6.577) 17.523 0.513 ( -25.351 0.000 5.679) 25.979 0.819 ( 1.065 0.000 0.670) 1.258 0.960 ( -4.265 0.000 1.027) 4.387 0.983 ( -3.409 0.000 -0.109) 3.411 1.039 ( -1.113 0.000 -4.524) 4.659 1.067 ( 1.519 0.000 0.546) 1.614 1.083 ( 5.544 0.000 -4.456) 7.112 1.250 ( 1.096 0.000 0.821) 1.370 1.293 ( 3.609 0.000 -4.380) 5.675 1.300 ( 0.282 0.000 0.253) 0.378 1.370 ( 6.034 0.000 0.839) 6.092 1.460 ( -4.429 0.000 -0.331) 4.442 1.461 ( -2.243 0.000 0.587) 2.319 1.562 ( 4.774 0.000 -0.710) 4.827 1.593 ( -0.096 0.000 2.535) 2.537 1.622 ( -0.048 0.000 2.209) 2.209 1.681 ( -3.514 0.000 -3.814) 5.186 1.762 ( 0.183 0.000 -3.152) 3.157 1.764 ( -0.637 0.000 -3.802) 3.855 1.809 ( 0.294 0.000 1.611) 1.638 1.843 ( 3.005 0.000 4.355) 5.291 1.857 ( 1.439 0.000 2.111) 2.555 1.893 ( 2.147 0.000 -1.140) 2.431 1.926 ( 0.316 0.000 3.108) 3.124 2.003 ( -2.165 0.000 -0.135) 2.169 2.020 ( -6.347 0.000 -0.757) 6.392 2.134 ( -3.105 0.000 -0.039) 3.105 2.150 ( 1.005 0.000 -1.457) 1.770 2.205 ( -1.693 0.000 1.198) 2.074 2.293 ( 0.032 0.000 1.542) 1.542 2.347 ( 1.661 0.000 -2.507) 3.007 2.356 ( 0.223 0.000 -3.581) 3.588 2.486 ( 1.298 0.000 -0.972) 1.622 2.499 ( 2.746 0.000 -1.020) 2.929 2.531 ( 1.759 0.000 -2.069) 2.716 2.609 ( -1.093 0.000 0.912) 1.423 2.622 ( 0.971 0.000 1.333) 1.649 2.712 ( 1.166 0.000 1.642) 2.013 2.715 ( 1.775 0.000 0.510) 1.846 2.853 ( 0.331 0.000 0.903) 0.962 3.502 ( -0.728 0.000 0.391) 0.826 3.535 ( -0.330 0.000 0.393) 0.513 3.583 ( -0.318 0.000 0.392) 0.504 3.710 ( -0.111 0.000 -1.669) 1.672 3.954 ( 0.697 0.000 -0.667) 0.965 4.001 ( 0.274 0.000 -1.564) 1.588 4.018 ( 1.320 0.000 -0.798) 1.542 4.022 ( 1.216 0.000 -0.784) 1.446 4.138 ( -1.236 0.000 1.180) 1.709 4.139 ( -0.741 0.000 -1.230) 1.436 4.171 ( -0.360 0.000 0.128) 0.382 4.184 ( -0.180 0.000 -2.056) 2.064 4.210 ( 1.854 0.000 2.797) 3.356 4.210 ( 0.250 0.000 -1.889) 1.906 4.239 ( 2.020 0.000 1.029) 2.267 4.295 ( -0.838 0.000 -0.140) 0.850 4.347 ( 4.663 0.000 5.343) 7.092 4.349 ( 2.390 0.000 0.060) 2.391 4.449 ( 0.658 0.000 0.380) 0.760 4.481 ( -1.181 0.000 -1.388) 1.823 4.744 ( 0.152 0.000 -0.630) 0.649 4.767 ( -0.910 0.000 0.138) 0.921 4.811 ( -1.208 0.000 0.254) 1.234 4.832 ( 0.043 0.000 -0.198) 0.202 4.886 ( -0.094 0.000 -2.290) 2.291 4.917 ( 0.177 0.000 -1.146) 1.160 4.933 ( 0.104 0.000 2.388) 2.390 4.964 ( 0.603 0.000 2.392) 2.467 5.438 ( -0.559 0.000 -0.543) 0.780 5.454 ( -0.182 0.000 0.938) 0.955 5.464 ( -0.011 0.000 -0.811) 0.811 5.482 ( 0.053 0.000 -0.048) 0.071 6.398 ( 0.353 0.000 -0.025) 0.354 6.406 ( 0.139 0.000 -0.104) 0.174 6.435 ( 0.199 0.000 0.476) 0.515 6.438 ( -0.264 0.000 -0.019) 0.264 6.680 ( -1.280 0.000 0.299) 1.315 6.682 ( -1.270 0.000 -0.282) 1.301 6.700 ( -0.164 0.000 0.428) 0.459 6.721 ( -1.251 0.000 -0.665) 1.417 6.735 ( -0.378 0.000 0.219) 0.436 6.759 ( -0.593 0.000 -0.616) 0.855 6.774 ( -0.353 0.000 -0.093) 0.365 6.787 ( -0.568 0.000 -0.029) 0.569 6.885 ( -0.135 0.000 0.360) 0.385 6.894 ( -0.138 0.000 -0.073) 0.156 6.901 ( 0.188 0.000 -0.011) 0.188 6.917 ( -0.062 0.000 -0.170) 0.180 7.202 ( 1.006 0.000 -0.143) 1.016 7.206 ( 0.481 0.000 -0.007) 0.481 7.232 ( 0.373 0.000 -0.178) 0.414 7.233 ( 0.135 0.000 0.005) 0.135 7.311 ( 0.171 0.000 -1.384) 1.394 7.336 ( -0.441 0.000 -0.214) 0.491 7.338 ( 0.162 0.000 0.469) 0.496 7.340 ( -0.640 0.000 0.321) 0.716 7.533 ( -0.532 0.000 1.045) 1.172 7.557 ( -0.760 0.000 1.600) 1.771 7.622 ( 1.013 0.000 -1.568) 1.867 7.639 ( 0.749 0.000 -0.303) 0.808 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 4.749 8.484 8.654) 13.017 0.428 ( -1.071 10.558 8.158) 13.385 0.695 ( 3.192 13.394 9.757) 16.876 0.745 ( -2.956 -4.178 0.870) 5.192 0.812 ( 1.108 -1.939 -2.098) 3.064 0.947 ( -3.784 -2.183 -0.696) 4.423 1.022 ( 2.522 3.589 -6.354) 7.721 1.114 ( -0.536 0.924 2.066) 2.326 1.136 ( 4.614 -0.781 -1.945) 5.068 1.156 ( -1.077 -4.185 -0.191) 4.325 1.280 ( 1.695 -1.393 -7.358) 7.678 1.315 ( -0.970 -1.021 -0.215) 1.424 1.345 ( -0.460 -2.828 0.950) 3.018 1.435 ( -0.792 -3.465 3.319) 4.863 1.452 ( -0.577 -0.154 -0.151) 0.616 1.556 ( -1.146 -0.962 -0.229) 1.514 1.586 ( -3.092 -1.352 -2.115) 3.983 1.647 ( 2.156 1.820 -1.198) 3.065 1.675 ( 1.824 -0.659 -0.435) 1.988 1.702 ( -0.564 2.931 -0.439) 3.017 1.766 ( -3.754 -1.852 0.098) 4.187 1.798 ( -1.135 -1.538 -0.988) 2.151 1.816 ( 2.785 2.216 1.537) 3.877 1.837 ( 0.680 -2.527 0.205) 2.625 1.906 ( 0.595 -1.926 0.275) 2.035 1.920 ( 1.389 -1.813 4.569) 5.108 1.985 ( -1.585 0.100 0.335) 1.624 2.056 ( 2.772 -2.230 3.415) 4.932 2.131 ( -0.323 1.527 0.353) 1.600 2.164 ( -1.154 3.722 1.527) 4.185 2.208 ( 1.587 0.884 -0.248) 1.833 2.284 ( 0.508 -1.508 -1.694) 2.324 2.348 ( 0.310 1.292 1.558) 2.048 2.407 ( 0.901 0.437 1.069) 1.465 2.467 ( -0.014 0.169 -2.159) 2.166 2.523 ( 1.167 -0.859 -2.770) 3.126 2.539 ( 0.938 -0.401 -0.030) 1.021 2.588 ( -1.720 -1.105 0.829) 2.206 2.687 ( 0.043 4.650 -1.056) 4.769 2.716 ( -2.168 1.733 -0.581) 2.836 2.752 ( -0.439 1.107 -1.057) 1.592 2.828 ( -1.692 -0.448 -2.142) 2.767 3.514 ( 0.209 0.577 1.093) 1.253 3.534 ( -0.098 -0.237 0.637) 0.687 3.603 ( -0.034 1.455 -0.031) 1.456 3.671 ( 0.012 -1.599 -1.366) 2.103 3.954 ( 0.120 0.664 -1.527) 1.669 3.979 ( 0.133 -0.224 -2.281) 2.296 4.022 ( -0.437 0.284 0.302) 0.603 4.043 ( 0.791 0.133 0.246) 0.839 4.127 ( -0.113 0.109 0.016) 0.158 4.140 ( 0.489 0.308 -0.110) 0.589 4.168 ( -0.545 0.171 -0.331) 0.661 4.178 ( -1.199 0.389 -1.239) 1.767 4.193 ( 1.107 1.288 1.400) 2.201 4.258 ( 0.763 -1.550 2.322) 2.894 4.292 ( 1.992 0.203 2.234) 3.000 4.301 ( 0.718 -0.195 1.753) 1.905 4.351 ( -0.058 -0.395 0.506) 0.645 4.393 ( -1.304 -0.661 -1.918) 2.411 4.446 ( -0.789 0.320 -1.339) 1.587 4.466 ( 0.773 -1.669 0.100) 1.842 4.744 ( -0.067 0.229 -0.179) 0.298 4.767 ( 0.479 0.491 -0.838) 1.083 4.795 ( -0.784 -0.272 0.705) 1.089 4.827 ( 0.174 -0.640 -0.143) 0.678 4.868 ( 0.204 0.452 -1.606) 1.681 4.890 ( -0.129 -0.873 -1.357) 1.618 4.968 ( 0.131 0.419 2.141) 2.186 4.990 ( -0.075 -0.656 1.582) 1.715 5.428 ( -0.239 0.310 -0.424) 0.577 5.448 ( 0.123 -0.654 -0.290) 0.726 5.471 ( 0.199 0.496 0.290) 0.608 5.487 ( 0.494 -0.379 0.151) 0.641 6.406 ( 0.344 0.076 0.386) 0.523 6.410 ( 0.364 -0.143 0.380) 0.545 6.432 ( -0.540 0.329 -0.371) 0.734 6.440 ( -0.191 0.042 -0.281) 0.343 6.670 ( -0.084 0.293 0.083) 0.316 6.676 ( 0.195 0.004 0.365) 0.414 6.694 ( -0.392 0.144 -0.525) 0.671 6.706 ( 0.377 -0.586 -0.141) 0.710 6.744 ( -0.054 0.595 0.414) 0.727 6.763 ( 0.364 -0.474 0.164) 0.620 6.778 ( 0.073 0.164 -0.101) 0.206 6.780 ( 0.552 0.117 -0.207) 0.601 6.887 ( -0.210 0.172 0.236) 0.359 6.895 ( 0.180 -0.026 0.005) 0.182 6.904 ( 0.144 0.064 -0.052) 0.166 6.913 ( 0.121 -0.256 -0.186) 0.339 7.209 ( 0.079 0.014 -0.033) 0.086 7.213 ( 0.138 -0.028 0.080) 0.162 7.227 ( -0.178 0.030 -0.305) 0.354 7.233 ( -0.186 -0.020 -0.487) 0.522 7.302 ( 0.270 0.110 -1.160) 1.196 7.310 ( -0.493 -0.231 -1.154) 1.276 7.347 ( 0.172 0.083 0.505) 0.541 7.350 ( 0.397 -0.008 0.527) 0.660 7.537 ( -0.850 0.469 0.985) 1.383 7.558 ( -1.000 -0.400 1.492) 1.840 7.623 ( 0.681 0.407 -1.122) 1.374 7.644 ( 0.646 -0.474 -0.286) 0.850 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 5.902 7.027 8.228) 12.325 0.566 ( 5.264 5.422 9.718) 12.310 0.754 ( 1.449 -3.322 2.832) 4.600 0.780 ( 3.447 1.600 -2.858) 4.755 0.905 ( 7.693 -2.009 0.644) 7.977 0.913 ( 0.991 -5.165 -0.566) 5.289 1.027 ( 5.103 4.349 -4.625) 8.145 1.121 ( 0.610 -1.206 -7.070) 7.198 1.152 ( 0.495 2.464 -0.488) 2.560 1.185 ( 1.318 1.469 2.952) 3.551 1.222 ( 3.687 0.547 -3.052) 4.817 1.302 ( -2.380 -2.700 1.532) 3.912 1.351 ( -1.290 -1.290 1.181) 2.174 1.428 ( -4.416 2.667 1.498) 5.372 1.455 ( 0.914 -6.065 -2.241) 6.530 1.478 ( -0.819 -2.784 -1.620) 3.324 1.553 ( -0.487 2.620 2.176) 3.440 1.617 ( -5.599 -0.037 -1.914) 5.917 1.689 ( 2.763 0.205 -0.503) 2.816 1.716 ( -0.197 1.700 -0.108) 1.715 1.737 ( 1.691 0.262 -0.317) 1.740 1.777 ( -0.313 0.272 -0.677) 0.794 1.851 ( 1.628 -1.452 -0.582) 2.258 1.863 ( 1.615 2.174 0.852) 2.839 1.923 ( 0.219 -0.176 1.113) 1.148 1.965 ( -0.555 -0.133 0.354) 0.672 2.034 ( 3.086 -2.586 3.833) 5.559 2.117 ( 1.592 -1.683 -0.868) 2.474 2.141 ( -2.579 -1.584 1.977) 3.615 2.159 ( 2.007 2.190 3.358) 4.483 2.248 ( 1.503 -1.148 -0.493) 1.954 2.289 ( 0.083 -2.259 -0.667) 2.357 2.347 ( 0.701 2.150 -1.190) 2.555 2.410 ( -0.338 0.819 0.218) 0.912 2.448 ( 0.599 1.354 -3.849) 4.123 2.471 ( -2.797 -0.924 -2.206) 3.680 2.544 ( -1.202 0.025 0.242) 1.226 2.565 ( -1.294 -0.242 1.154) 1.751 2.653 ( -3.968 1.871 0.453) 4.411 2.698 ( -0.538 2.169 3.043) 3.776 2.728 ( -0.972 -0.540 -0.977) 1.480 2.777 ( -1.515 0.322 -0.876) 1.779 3.535 ( 0.596 0.181 1.326) 1.465 3.544 ( 0.353 -0.075 0.907) 0.977 3.606 ( 0.378 0.988 0.201) 1.077 3.659 ( 0.587 -1.410 -1.802) 2.362 3.932 ( -0.609 0.778 -1.511) 1.805 3.955 ( -0.306 -0.335 -1.651) 1.712 4.008 ( -1.255 0.065 -0.271) 1.286 4.046 ( -0.526 -0.371 0.023) 0.644 4.132 ( -0.070 0.520 0.387) 0.652 4.146 ( 0.737 0.220 -0.516) 0.926 4.156 ( -1.127 0.083 0.853) 1.416 4.167 ( 1.386 -0.447 -0.724) 1.627 4.236 ( 0.759 1.174 1.463) 2.024 4.259 ( -1.906 0.012 0.327) 1.934 4.326 ( -1.067 0.071 0.629) 1.240 4.339 ( -2.129 -0.517 -0.572) 2.264 4.345 ( 0.276 0.362 0.896) 1.005 4.370 ( 0.196 -0.739 -0.060) 0.766 4.402 ( -0.339 0.672 0.882) 1.160 4.445 ( -1.601 -1.388 -1.644) 2.682 4.743 ( 0.393 0.383 -0.284) 0.618 4.773 ( 1.192 0.846 -0.697) 1.619 4.795 ( -0.217 -0.747 0.604) 0.985 4.830 ( 0.334 -0.543 -0.176) 0.662 4.857 ( 0.269 0.213 -0.694) 0.774 4.873 ( -0.025 -0.433 -1.219) 1.294 4.992 ( -0.146 -0.054 1.655) 1.663 4.995 ( -0.574 -0.170 1.001) 1.166 5.423 ( 0.017 0.458 -0.278) 0.536 5.448 ( 0.458 -0.733 -0.429) 0.965 5.479 ( 0.280 0.425 0.286) 0.584 5.494 ( 0.360 -0.382 -0.153) 0.547 6.411 ( -0.617 0.116 -0.318) 0.704 6.417 ( 0.181 -0.090 0.244) 0.317 6.426 ( 0.205 0.137 0.550) 0.603 6.433 ( -0.158 0.008 -0.136) 0.208 6.680 ( 0.968 0.319 0.164) 1.033 6.689 ( 0.730 0.452 -0.357) 0.930 6.695 ( 1.171 -0.272 0.464) 1.288 6.713 ( 1.009 -0.658 -0.544) 1.322 6.749 ( 0.279 0.525 0.420) 0.728 6.768 ( 0.118 -0.149 -0.042) 0.195 6.777 ( 0.652 0.146 -0.419) 0.789 6.791 ( 0.683 -0.180 -0.281) 0.761 6.886 ( -0.268 0.302 0.197) 0.449 6.899 ( 0.236 -0.244 0.177) 0.383 6.907 ( 0.272 0.115 -0.053) 0.300 6.914 ( 0.324 -0.183 -0.288) 0.470 7.205 ( -0.599 0.163 -0.013) 0.621 7.212 ( -0.668 -0.151 0.380) 0.783 7.215 ( -0.665 -0.013 -0.472) 0.816 7.223 ( -0.459 -0.288 -0.391) 0.668 7.294 ( 0.117 0.047 -0.918) 0.927 7.298 ( 0.557 -0.133 -0.643) 0.861 7.356 ( 0.557 0.213 0.099) 0.605 7.363 ( 0.573 -0.090 0.369) 0.688 7.532 ( -1.075 0.538 0.901) 1.502 7.555 ( -1.306 -0.465 1.387) 1.961 7.621 ( 0.433 0.573 -0.977) 1.213 7.648 ( 0.327 -0.611 -0.360) 0.781 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.622 3.114 4.261) 5.314 0.714 ( 1.786 1.974 4.062) 4.856 0.799 ( 5.256 -1.171 0.895) 5.459 0.860 ( 3.368 -0.751 -3.275) 4.757 0.930 ( 1.716 -1.979 -2.391) 3.547 0.998 ( 0.034 -2.239 -5.220) 5.680 1.019 ( 3.224 -2.245 -3.854) 5.504 1.051 ( 6.072 -1.678 -2.657) 6.837 1.182 ( 9.049 0.655 -0.911) 9.119 1.237 ( 4.525 -0.781 -1.000) 4.700 1.264 ( -2.854 1.064 1.923) 3.602 1.316 ( 2.489 1.555 2.305) 3.732 1.341 ( -0.324 0.154 0.621) 0.717 1.384 ( -2.517 2.952 0.772) 3.956 1.440 ( 0.200 -2.194 -0.187) 2.211 1.511 ( 0.712 -3.582 2.948) 4.694 1.533 ( -0.934 1.688 -1.141) 2.241 1.602 ( 2.067 4.136 1.741) 4.940 1.673 ( -1.986 2.552 -2.812) 4.286 1.725 ( -2.841 -0.685 1.070) 3.112 1.742 ( 2.044 1.067 -0.189) 2.313 1.776 ( 2.320 -2.732 0.363) 3.602 1.842 ( -2.744 -3.677 0.192) 4.592 1.916 ( 3.676 4.153 -1.859) 5.850 1.929 ( -1.049 3.714 0.563) 3.900 1.959 ( -0.339 -0.458 1.020) 1.169 2.037 ( -1.981 -3.730 -3.820) 5.695 2.113 ( -0.817 -0.018 0.903) 1.217 2.168 ( 2.085 -3.780 -0.907) 4.411 2.210 ( 1.133 1.821 0.098) 2.147 2.249 ( 0.068 -3.244 0.959) 3.384 2.272 ( -2.325 3.408 -0.270) 4.134 2.297 ( -2.586 -0.632 -4.669) 5.374 2.369 ( -0.640 -2.149 -0.942) 2.432 2.451 ( 1.471 2.464 -0.370) 2.893 2.470 ( 1.517 1.219 2.996) 3.573 2.518 ( -2.029 -0.075 -0.296) 2.052 2.578 ( -0.720 -1.036 3.130) 3.375 2.595 ( -3.934 2.010 0.747) 4.480 2.692 ( -1.775 -1.973 1.462) 3.030 2.745 ( 0.804 1.193 2.049) 2.503 2.775 ( 1.242 0.073 1.253) 1.766 3.557 ( 0.646 -0.032 0.619) 0.896 3.563 ( 0.385 -0.037 1.062) 1.130 3.621 ( 0.908 0.526 0.533) 1.177 3.651 ( 1.059 -0.840 -1.763) 2.222 3.904 ( -0.840 1.049 -1.085) 1.727 3.933 ( -0.613 -0.501 -0.902) 1.200 3.983 ( -0.980 0.169 -0.605) 1.164 4.033 ( -0.858 -0.736 -0.112) 1.136 4.124 ( -1.818 0.410 1.083) 2.156 4.143 ( -1.783 -0.442 1.395) 2.307 4.165 ( 1.071 0.475 -0.153) 1.181 4.179 ( 0.323 -0.067 -0.944) 0.999 4.226 ( -1.518 0.255 0.193) 1.551 4.234 ( -1.684 0.184 -0.710) 1.836 4.256 ( -3.962 0.824 -3.658) 5.455 4.280 ( -3.317 -0.320 -0.553) 3.378 4.316 ( -1.355 0.230 -0.672) 1.530 4.359 ( -2.003 -1.955 -1.739) 3.295 4.432 ( 1.572 1.546 2.041) 3.005 4.471 ( 2.580 -0.561 2.239) 3.462 4.751 ( 0.915 0.534 -0.347) 1.115 4.786 ( 1.019 1.121 -0.261) 1.537 4.800 ( 0.076 -0.785 0.416) 0.892 4.829 ( -0.012 -0.014 -0.428) 0.428 4.865 ( 0.799 -0.595 0.285) 1.037 4.870 ( 0.713 -0.466 -0.132) 0.862 4.988 ( -0.735 0.396 0.303) 0.888 5.008 ( -0.106 -0.450 0.992) 1.095 5.423 ( 0.254 0.562 0.016) 0.616 5.453 ( 0.642 -0.786 -0.350) 1.073 5.485 ( 0.235 0.303 0.028) 0.385 5.495 ( 0.130 -0.195 -0.394) 0.459 6.393 ( -0.831 0.350 -0.421) 0.995 6.412 ( -0.448 -0.568 -0.433) 0.843 6.436 ( 0.335 0.270 0.570) 0.714 6.441 ( 0.338 0.004 0.497) 0.601 6.701 ( 1.305 0.433 0.115) 1.379 6.704 ( 1.128 0.488 0.022) 1.229 6.719 ( 1.120 -0.401 0.158) 1.200 6.729 ( 1.425 -0.453 -0.469) 1.567 6.766 ( 1.011 0.340 0.413) 1.144 6.770 ( 0.771 0.471 -0.207) 0.927 6.786 ( 0.834 -0.139 -0.424) 0.946 6.796 ( 0.494 -0.340 -0.406) 0.724 6.884 ( -0.253 0.451 0.204) 0.556 6.905 ( 0.219 -0.449 0.174) 0.529 6.910 ( 0.376 0.123 -0.324) 0.511 6.917 ( 0.468 -0.164 -0.322) 0.591 7.191 ( -0.962 0.236 -0.203) 1.011 7.194 ( -1.205 0.158 -0.015) 1.216 7.204 ( -0.934 -0.267 0.356) 1.034 7.210 ( -0.823 -0.509 -0.161) 0.982 7.292 ( 0.550 0.222 -0.529) 0.795 7.306 ( 0.813 -0.399 -0.053) 0.907 7.367 ( 0.822 0.268 -0.104) 0.871 7.375 ( 0.477 -0.091 0.189) 0.521 7.524 ( -1.008 0.563 0.860) 1.440 7.548 ( -1.288 -0.478 1.221) 1.838 7.615 ( 0.251 0.632 -0.907) 1.134 7.646 ( -0.004 -0.655 -0.588) 0.880 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -3.873 0.446 -1.117) 4.055 0.738 ( -1.315 -4.028 -2.645) 4.995 0.816 ( 2.354 2.663 -2.595) 4.401 0.881 ( 2.948 2.670 -0.537) 4.013 0.945 ( 3.899 -2.767 0.822) 4.852 1.003 ( 4.109 -0.590 -0.794) 4.226 1.061 ( 1.649 -0.778 0.302) 1.848 1.137 ( 3.613 -0.623 -0.736) 3.739 1.255 ( 2.186 -1.742 0.061) 2.796 1.286 ( 1.898 2.128 1.220) 3.101 1.310 ( 1.467 -0.767 -0.722) 1.806 1.343 ( 2.840 -0.500 -2.105) 3.570 1.386 ( 0.580 -1.869 3.948) 4.406 1.411 ( 5.206 1.499 -1.359) 5.585 1.471 ( 2.651 1.477 2.060) 3.668 1.519 ( 1.904 0.599 2.313) 3.055 1.579 ( 0.991 -2.411 1.715) 3.120 1.588 ( -2.908 -0.287 -1.319) 3.206 1.630 ( 0.323 2.933 -0.354) 2.972 1.682 ( -1.923 -1.032 -0.123) 2.186 1.778 ( -3.558 -3.257 -0.616) 4.863 1.802 ( 2.254 4.799 2.540) 5.879 1.813 ( 0.194 -1.901 -0.265) 1.929 1.900 ( -2.764 3.278 1.706) 4.615 1.931 ( 3.462 2.225 -3.511) 5.409 1.965 ( -0.079 -0.163 -2.390) 2.397 1.989 ( 1.389 -1.204 -1.227) 2.210 2.084 ( -2.131 0.800 -0.720) 2.387 2.123 ( -5.480 -0.724 -5.270) 7.637 2.167 ( -2.206 -0.989 -1.058) 2.639 2.222 ( 1.092 -0.884 1.221) 1.861 2.257 ( -1.251 -1.883 1.146) 2.535 2.323 ( 1.910 0.613 2.469) 3.182 2.362 ( 0.239 0.506 -0.847) 1.015 2.444 ( -1.702 1.377 -2.894) 3.629 2.473 ( 0.220 -1.802 -1.581) 2.407 2.527 ( 0.466 0.649 0.168) 0.817 2.553 ( -0.982 0.780 0.680) 1.426 2.590 ( -2.142 0.384 3.092) 3.781 2.689 ( -0.262 -1.546 0.152) 1.575 2.789 ( 1.652 0.922 0.664) 2.005 2.823 ( 1.275 -0.561 2.488) 2.852 3.567 ( 0.302 0.004 -0.333) 0.450 3.573 ( -0.095 -0.183 0.191) 0.282 3.643 ( 0.815 0.287 0.621) 1.064 3.657 ( 1.632 -0.301 -1.001) 1.938 3.885 ( -0.511 1.169 -0.151) 1.285 3.917 ( -0.671 -0.225 0.245) 0.748 3.967 ( -0.045 0.202 -0.754) 0.781 4.017 ( -0.957 -0.799 -0.146) 1.255 4.099 ( -2.791 0.512 1.382) 3.156 4.107 ( -3.762 0.360 -0.768) 3.856 4.138 ( -2.088 0.809 -0.432) 2.281 4.159 ( -2.592 -0.370 -0.931) 2.779 4.186 ( -0.017 0.890 0.984) 1.327 4.209 ( -0.690 -0.158 -1.204) 1.397 4.218 ( -0.799 -0.445 -0.909) 1.289 4.230 ( -1.361 -0.984 0.083) 1.681 4.293 ( -0.370 -0.304 -1.206) 1.297 4.312 ( -1.093 -1.384 -0.401) 1.809 4.479 ( 1.479 1.773 0.812) 2.448 4.520 ( 1.620 -0.328 0.369) 1.694 4.764 ( 1.006 0.376 -0.054) 1.075 4.798 ( 0.670 1.587 -0.105) 1.726 4.806 ( 0.081 -0.785 0.413) 0.891 4.825 ( -0.075 0.321 0.003) 0.330 4.883 ( 1.053 -0.811 -0.042) 1.330 4.883 ( 0.312 -1.106 0.477) 1.244 4.979 ( -0.432 0.792 -0.207) 0.925 5.010 ( -0.217 -0.586 -0.252) 0.674 5.430 ( 0.302 0.578 0.361) 0.746 5.461 ( 0.595 -0.757 -0.181) 0.980 5.488 ( 0.164 0.175 -0.167) 0.292 5.492 ( 0.100 -0.061 -0.416) 0.432 6.378 ( -0.570 0.448 -0.090) 0.730 6.401 ( -0.274 -0.594 -0.318) 0.727 6.446 ( 0.206 0.136 0.266) 0.363 6.448 ( 0.065 0.033 0.027) 0.078 6.717 ( 0.549 0.387 -0.017) 0.673 6.724 ( 1.006 0.574 0.401) 1.225 6.736 ( 0.763 -0.045 0.119) 0.774 6.746 ( 1.173 -0.276 -0.279) 1.237 6.776 ( 0.886 0.321 -0.215) 0.966 6.793 ( 0.785 0.137 -0.525) 0.954 6.800 ( 1.187 -0.166 -0.133) 1.206 6.802 ( 1.005 -0.506 0.360) 1.182 6.883 ( -0.226 0.547 0.292) 0.660 6.909 ( 0.110 -0.584 0.074) 0.599 6.913 ( 0.485 0.166 -0.432) 0.670 6.921 ( 0.515 -0.172 -0.396) 0.672 7.171 ( -1.116 0.194 -0.092) 1.136 7.177 ( -0.918 0.341 -0.163) 0.993 7.192 ( -0.985 -0.506 0.299) 1.147 7.196 ( -0.865 -0.338 0.301) 0.977 7.297 ( 0.487 0.411 -0.102) 0.646 7.320 ( 0.655 -0.598 0.290) 0.933 7.379 ( 0.787 0.128 -0.281) 0.845 7.382 ( 0.267 -0.012 -0.094) 0.283 7.519 ( -0.773 0.550 0.871) 1.288 7.542 ( -1.032 -0.452 1.187) 1.637 7.610 ( 0.313 0.555 -0.813) 1.033 7.637 ( -0.072 -0.587 -0.756) 0.960 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.767 1.391 2.784) 3.205 0.739 ( 3.203 -5.023 3.063) 6.698 0.851 ( 1.928 4.673 -0.364) 5.069 0.940 ( 0.993 3.907 3.403) 5.276 0.980 ( 0.144 2.795 -1.388) 3.124 1.053 ( -0.874 -2.980 4.184) 5.211 1.095 ( 5.001 0.740 -1.954) 5.420 1.188 ( 1.581 -1.802 3.666) 4.380 1.233 ( -1.048 -1.117 -2.821) 3.210 1.313 ( -0.783 -1.262 -1.995) 2.487 1.329 ( 3.379 -1.182 -3.280) 4.855 1.395 ( 0.208 -1.354 2.678) 3.009 1.409 ( -0.428 -2.454 1.304) 2.812 1.442 ( 2.804 -1.717 -1.810) 3.753 1.496 ( 2.429 0.145 -1.332) 2.774 1.533 ( -1.334 1.625 1.445) 2.551 1.559 ( -3.184 -0.886 2.234) 3.989 1.610 ( -1.715 -0.044 1.050) 2.011 1.653 ( 0.681 0.047 0.034) 0.683 1.689 ( -0.803 -0.593 1.253) 1.602 1.738 ( 2.052 2.172 -1.967) 3.577 1.792 ( -0.226 1.715 -1.021) 2.009 1.838 ( -0.735 4.605 -0.996) 4.769 1.888 ( -1.637 0.057 1.834) 2.459 1.942 ( 2.123 0.735 -1.556) 2.733 1.976 ( 0.392 -3.056 -0.379) 3.105 1.998 ( 2.690 -2.491 -1.271) 3.880 2.025 ( 0.140 0.685 2.115) 2.227 2.075 ( 2.023 0.934 0.894) 2.401 2.130 ( -2.349 -3.574 0.650) 4.326 2.235 ( 0.067 1.319 -0.848) 1.570 2.251 ( -0.884 0.983 1.677) 2.135 2.338 ( -3.379 2.313 -3.158) 5.171 2.356 ( -0.096 0.858 -0.559) 1.028 2.394 ( 3.247 0.697 -1.048) 3.482 2.464 ( 0.684 -1.977 -2.338) 3.138 2.511 ( -0.305 0.100 -1.107) 1.153 2.552 ( -1.020 -1.951 0.325) 2.225 2.581 ( -1.618 1.468 0.077) 2.186 2.670 ( -0.884 -1.855 -2.669) 3.368 2.779 ( -0.581 2.194 -3.505) 4.176 2.845 ( -0.848 -1.146 -0.155) 1.434 3.564 ( 0.126 -0.062 -0.710) 0.724 3.566 ( -0.312 -0.118 -0.666) 0.744 3.656 ( 0.097 0.557 0.304) 0.642 3.678 ( 1.423 -0.252 -0.163) 1.454 3.885 ( 0.087 1.098 0.699) 1.305 3.918 ( -0.439 0.242 1.358) 1.448 3.963 ( 0.804 -0.253 -1.104) 1.389 4.000 ( -0.738 -0.801 -0.294) 1.128 4.063 ( -0.853 0.795 1.072) 1.583 4.075 ( -1.856 0.553 1.614) 2.521 4.104 ( -1.463 0.248 -0.211) 1.499 4.133 ( -0.527 -1.255 0.514) 1.455 4.175 ( -0.446 0.241 -0.733) 0.891 4.196 ( 0.206 -0.585 0.256) 0.671 4.215 ( 0.228 -0.261 0.704) 0.785 4.220 ( -0.184 0.259 -0.305) 0.441 4.279 ( 0.520 0.059 -0.890) 1.032 4.319 ( 0.476 -1.378 1.444) 2.052 4.487 ( -0.167 1.903 -1.557) 2.464 4.532 ( 0.264 -0.302 -1.109) 1.179 4.780 ( 0.613 0.286 0.437) 0.806 4.807 ( 0.551 1.321 -0.042) 1.432 4.810 ( -0.271 -0.557 0.513) 0.805 4.826 ( -0.162 0.639 0.330) 0.737 4.885 ( -0.258 -1.097 -0.172) 1.139 4.896 ( 0.433 -1.056 0.087) 1.145 4.968 ( -0.193 0.780 -0.848) 1.168 4.998 ( -0.133 -0.565 -1.356) 1.475 5.439 ( 0.003 0.548 0.580) 0.798 5.467 ( 0.301 -0.734 0.024) 0.794 5.487 ( 0.150 0.160 -0.275) 0.351 5.490 ( 0.231 -0.025 -0.312) 0.389 6.374 ( -0.080 0.468 0.395) 0.618 6.398 ( 0.100 -0.590 0.022) 0.598 6.443 ( -0.193 0.175 -0.602) 0.656 6.447 ( -0.071 -0.023 -0.271) 0.281 6.722 ( 0.129 0.514 0.065) 0.533 6.736 ( 0.121 0.830 -0.052) 0.841 6.747 ( 0.277 -0.448 0.297) 0.604 6.758 ( 0.436 -0.162 -0.031) 0.466 6.790 ( 0.719 0.116 0.243) 0.767 6.803 ( 0.666 -0.169 0.017) 0.687 6.808 ( 0.440 0.037 -0.018) 0.442 6.823 ( 0.474 -0.357 0.157) 0.614 6.883 ( -0.247 0.570 0.372) 0.724 6.911 ( -0.029 -0.617 0.020) 0.618 6.916 ( 0.439 0.198 -0.474) 0.676 6.925 ( 0.453 -0.181 -0.384) 0.621 7.156 ( -0.513 0.220 -0.013) 0.559 7.162 ( -0.376 0.262 -0.374) 0.592 7.183 ( -0.483 -0.420 0.418) 0.764 7.187 ( -0.524 -0.328 0.216) 0.654 7.306 ( 0.329 0.503 0.459) 0.757 7.331 ( 0.094 -0.536 0.363) 0.654 7.381 ( -0.023 0.072 -0.472) 0.478 7.385 ( 0.423 -0.113 -0.528) 0.686 7.519 ( -0.576 0.532 0.919) 1.208 7.542 ( -0.793 -0.457 1.303) 1.592 7.608 ( 0.560 0.427 -0.718) 1.005 7.629 ( 0.197 -0.450 -0.737) 0.886 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 3.436 2.272 8.882) 9.790 0.836 ( 3.030 1.683 0.839) 3.566 0.857 ( -3.290 1.106 3.463) 4.903 0.911 ( -3.185 1.759 -0.751) 3.715 0.999 ( 0.026 1.066 3.454) 3.615 1.073 ( -1.115 -0.836 1.567) 2.097 1.146 ( 2.473 4.233 -1.743) 5.203 1.165 ( -1.958 0.556 -3.643) 4.173 1.233 ( -3.063 -5.716 -0.129) 6.486 1.273 ( -4.037 0.463 1.642) 4.382 1.333 ( 2.452 -0.712 1.022) 2.750 1.395 ( -1.860 -3.675 2.001) 4.579 1.414 ( 0.991 -1.926 0.222) 2.178 1.449 ( 1.792 -0.980 -2.457) 3.195 1.505 ( -2.108 -0.870 0.265) 2.296 1.512 ( -3.828 -1.483 -1.683) 4.436 1.570 ( 0.727 -0.780 1.357) 1.726 1.599 ( -0.754 -1.555 0.301) 1.754 1.653 ( -1.815 2.376 0.351) 3.010 1.675 ( 2.314 3.447 0.553) 4.188 1.707 ( 0.665 -0.243 -1.168) 1.366 1.790 ( 0.127 1.125 1.066) 1.555 1.832 ( -1.758 3.275 -0.719) 3.786 1.868 ( 0.648 0.210 0.629) 0.927 1.924 ( -1.943 1.345 -2.099) 3.161 1.973 ( -0.115 -3.502 -1.201) 3.704 2.057 ( 1.425 -4.392 -1.432) 4.834 2.104 ( 6.101 0.801 3.124) 6.901 2.127 ( 0.109 -1.231 3.527) 3.737 2.175 ( 2.495 -0.428 0.075) 2.533 2.233 ( 2.545 -1.661 -0.965) 3.188 2.242 ( -1.398 -2.111 0.159) 2.537 2.285 ( 3.989 5.041 -0.281) 6.435 2.317 ( -4.031 3.899 -0.664) 5.647 2.441 ( 2.031 -0.830 -1.597) 2.713 2.459 ( 0.818 1.319 -1.850) 2.415 2.480 ( -0.763 2.034 -1.948) 2.917 2.508 ( -2.536 -2.923 -1.285) 4.078 2.554 ( -0.749 0.883 -0.807) 1.411 2.605 ( -0.204 -2.797 -5.246) 5.949 2.732 ( -0.367 2.456 -1.813) 3.075 2.802 ( -1.880 -1.109 -2.313) 3.180 3.549 ( -0.473 0.100 -0.980) 1.093 3.557 ( -0.027 -0.292 -0.929) 0.974 3.652 ( -0.824 1.078 0.014) 1.357 3.692 ( 0.488 -0.563 -0.074) 0.749 3.901 ( 0.649 0.936 0.908) 1.457 3.932 ( 0.066 0.564 1.669) 1.763 3.970 ( 1.796 -1.118 -1.426) 2.552 3.989 ( -0.093 -1.057 -0.283) 1.098 4.065 ( -0.365 0.312 1.129) 1.227 4.080 ( -0.279 -0.132 0.321) 0.445 4.114 ( 2.465 0.715 0.906) 2.722 4.152 ( 2.437 -0.724 -0.067) 2.543 4.187 ( 1.055 -0.403 0.797) 1.382 4.196 ( 0.265 -0.760 -0.202) 0.830 4.224 ( 0.844 0.917 1.218) 1.743 4.241 ( 0.772 0.669 1.491) 1.808 4.298 ( 1.626 0.126 0.860) 1.844 4.345 ( 0.536 -1.302 2.130) 2.553 4.440 ( -1.799 2.049 -3.651) 4.557 4.499 ( -1.550 -0.685 -3.092) 3.527 4.789 ( -0.399 0.606 0.607) 0.946 4.806 ( -0.577 0.146 0.285) 0.660 4.818 ( 0.341 0.140 0.384) 0.532 4.828 ( -0.033 0.567 0.392) 0.690 4.878 ( -0.330 -0.480 0.189) 0.612 4.899 ( -0.340 -0.995 0.244) 1.080 4.955 ( 0.201 0.386 -1.309) 1.379 4.976 ( -0.086 -0.501 -2.103) 2.164 5.443 ( -0.347 0.495 0.766) 0.975 5.470 ( -0.132 -0.712 0.102) 0.731 5.487 ( 0.115 0.222 -0.310) 0.398 5.491 ( 0.303 -0.061 -0.389) 0.497 6.384 ( 0.382 0.400 0.823) 0.991 6.405 ( 0.410 -0.557 0.336) 0.769 6.430 ( -0.263 0.301 -0.932) 1.014 6.438 ( -0.268 -0.096 -0.802) 0.851 6.724 ( -0.109 0.595 0.188) 0.634 6.731 ( -0.493 0.736 -0.173) 0.903 6.748 ( -0.607 -0.320 0.246) 0.729 6.760 ( -0.027 -0.519 0.003) 0.520 6.801 ( -0.181 0.033 0.632) 0.658 6.807 ( -0.312 -0.247 -0.039) 0.400 6.813 ( -0.177 0.137 0.221) 0.314 6.819 ( -0.851 -0.076 -0.095) 0.860 6.883 ( -0.218 0.517 0.370) 0.672 6.908 ( -0.187 -0.561 -0.079) 0.597 6.916 ( 0.216 0.211 -0.457) 0.547 6.926 ( 0.159 -0.214 -0.307) 0.406 7.155 ( 0.454 0.228 -0.095) 0.517 7.160 ( 0.586 0.167 -0.272) 0.668 7.184 ( 0.112 -0.255 0.279) 0.394 7.189 ( 0.451 -0.395 0.336) 0.687 7.317 ( 0.030 0.346 0.881) 0.947 7.332 ( -0.444 -0.259 0.422) 0.665 7.371 ( -0.249 0.159 -0.852) 0.901 7.381 ( -0.039 -0.304 -0.645) 0.714 7.521 ( -0.469 0.513 0.978) 1.200 7.544 ( -0.754 -0.482 1.344) 1.614 7.611 ( 0.805 0.336 -0.749) 1.150 7.627 ( 0.523 -0.330 -0.709) 0.941 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -6.836 1.774 -2.537) 7.504 0.793 ( -8.071 4.033 1.362) 9.125 0.842 ( -6.171 -0.386 0.717) 6.224 0.960 ( 3.272 1.389 6.416) 7.334 1.016 ( -4.074 2.267 -3.314) 5.720 1.042 ( -0.853 -4.064 -1.143) 4.306 1.077 ( -2.937 -0.858 1.518) 3.415 1.137 ( -0.703 3.522 -2.386) 4.312 1.171 ( -0.379 -3.132 -2.628) 4.106 1.240 ( -1.864 -0.686 2.246) 2.998 1.342 ( -2.164 3.218 1.486) 4.153 1.380 ( -5.238 -1.430 -0.268) 5.437 1.400 ( -4.321 1.418 -0.894) 4.635 1.458 ( 0.454 0.752 2.560) 2.707 1.467 ( 2.210 -1.170 -1.743) 3.048 1.505 ( 2.310 -4.662 2.489) 5.767 1.576 ( -2.720 -1.249 2.418) 3.848 1.587 ( -1.086 0.190 0.061) 1.104 1.617 ( -0.322 2.675 0.634) 2.768 1.731 ( 2.534 0.641 0.380) 2.641 1.741 ( 0.534 1.102 -1.173) 1.696 1.790 ( -1.993 2.541 1.371) 3.508 1.812 ( 2.188 2.332 -0.509) 3.238 1.868 ( -3.233 -3.188 0.517) 4.570 1.912 ( 1.749 0.198 -0.074) 1.762 1.963 ( 3.109 -0.452 -1.817) 3.630 2.049 ( -0.151 -4.438 -1.328) 4.635 2.079 ( -2.732 -3.283 -4.797) 6.423 2.137 ( -1.203 -1.476 -3.610) 4.081 2.184 ( -0.903 -1.043 -0.846) 1.619 2.233 ( -0.048 -1.249 0.244) 1.274 2.301 ( 2.319 2.054 -0.301) 3.112 2.337 ( 1.958 -1.760 -1.249) 2.914 2.343 ( 2.201 1.744 1.663) 3.264 2.416 ( 3.865 0.189 2.701) 4.719 2.450 ( 0.277 0.989 -1.871) 2.135 2.483 ( 0.274 -0.118 0.904) 0.952 2.518 ( 2.469 -0.252 1.309) 2.806 2.544 ( 2.503 2.932 -1.175) 4.030 2.570 ( 0.960 1.015 -2.514) 2.876 2.739 ( 0.827 0.378 1.451) 1.712 2.756 ( -0.435 0.030 -1.289) 1.361 3.532 ( -0.511 0.246 -0.604) 0.828 3.544 ( -0.323 -0.400 -0.702) 0.870 3.632 ( -1.280 1.569 -0.159) 2.031 3.696 ( 0.115 -1.144 0.033) 1.150 3.923 ( 1.018 0.663 0.445) 1.294 3.957 ( 0.685 0.392 1.633) 1.814 3.985 ( 2.002 -1.494 -1.611) 2.973 3.992 ( 0.705 -0.927 0.015) 1.165 4.082 ( 1.295 0.234 0.564) 1.432 4.094 ( 1.233 0.138 0.932) 1.551 4.162 ( 2.382 0.109 0.152) 2.389 4.187 ( 1.022 -1.020 -0.592) 1.561 4.206 ( 2.033 0.432 0.435) 2.124 4.217 ( 2.017 0.065 -0.459) 2.070 4.240 ( -0.327 1.196 -0.339) 1.285 4.274 ( 1.010 -0.610 0.025) 1.180 4.343 ( 1.779 1.006 2.678) 3.369 4.358 ( -1.909 1.805 -4.070) 4.845 4.401 ( 1.614 -1.397 2.970) 3.657 4.418 ( -2.481 -0.842 -3.814) 4.628 4.780 ( -1.035 0.963 -0.008) 1.414 4.797 ( -1.017 0.363 0.522) 1.199 4.825 ( -0.174 -0.320 0.534) 0.647 4.833 ( 0.143 -0.136 0.095) 0.219 4.885 ( -0.011 -0.031 1.552) 1.552 4.895 ( -0.404 -0.390 0.553) 0.788 4.946 ( 0.291 -0.190 -1.794) 1.827 4.951 ( 0.258 -0.182 -1.775) 1.802 5.446 ( -0.497 0.366 0.901) 1.092 5.465 ( -0.445 -0.524 -0.031) 0.688 5.483 ( -0.124 0.228 -0.350) 0.436 5.490 ( 0.245 -0.144 -0.689) 0.745 6.402 ( 0.520 0.220 0.865) 1.033 6.411 ( 0.031 -0.010 -0.555) 0.556 6.421 ( -0.035 -0.081 -0.364) 0.375 6.425 ( 0.157 -0.048 -0.346) 0.383 6.717 ( -0.852 0.461 -0.018) 0.969 6.723 ( -0.632 0.752 0.237) 1.011 6.733 ( -1.194 -0.169 -0.042) 1.207 6.757 ( -0.566 -0.687 0.170) 0.906 6.784 ( -1.948 0.164 -0.230) 1.968 6.794 ( -1.145 -0.450 0.014) 1.231 6.804 ( -0.610 0.175 0.181) 0.660 6.809 ( -0.656 0.118 -0.096) 0.673 6.884 ( -0.131 0.390 0.315) 0.519 6.903 ( -0.261 -0.426 -0.165) 0.526 6.912 ( -0.080 0.238 -0.451) 0.517 6.923 ( -0.096 -0.251 -0.248) 0.366 7.167 ( 1.160 0.230 -0.189) 1.198 7.174 ( 1.218 0.060 -0.023) 1.220 7.196 ( 0.849 -0.154 0.416) 0.958 7.205 ( 0.966 -0.429 0.299) 1.098 7.325 ( -0.345 0.099 0.998) 1.060 7.328 ( -0.569 -0.028 0.507) 0.763 7.355 ( -0.284 0.286 -1.074) 1.147 7.370 ( -0.378 -0.372 -0.577) 0.784 7.525 ( -0.404 0.465 1.047) 1.215 7.547 ( -0.781 -0.439 1.301) 1.579 7.617 ( 0.979 0.250 -0.924) 1.369 7.629 ( 0.661 -0.255 -0.789) 1.060 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -11.282 2.536 -3.489) 12.079 0.600 ( -13.377 6.073 -3.699) 15.149 0.765 ( -2.304 -5.753 -0.327) 6.206 0.858 ( -5.883 -5.160 -2.370) 8.176 0.979 ( -8.319 5.492 2.292) 10.228 1.042 ( -4.022 -1.573 0.750) 4.383 1.061 ( 2.925 -0.891 -3.494) 4.643 1.104 ( -2.243 0.272 2.414) 3.307 1.156 ( -0.377 1.754 -0.174) 1.802 1.218 ( -3.647 2.535 -0.578) 4.479 1.281 ( -2.002 3.982 -0.942) 4.555 1.328 ( -1.149 3.562 1.875) 4.186 1.366 ( 1.740 1.578 -2.116) 3.161 1.472 ( 0.802 2.144 0.724) 2.400 1.501 ( 0.961 -1.066 2.430) 2.822 1.520 ( -4.227 0.004 -0.645) 4.276 1.568 ( -0.463 -0.048 1.795) 1.855 1.619 ( 5.109 -4.786 2.196) 7.337 1.671 ( 1.505 -1.436 0.109) 2.083 1.684 ( -2.437 1.363 0.609) 2.858 1.775 ( 1.065 -1.299 -0.235) 1.696 1.782 ( -1.539 -2.098 0.266) 2.616 1.805 ( -1.077 -2.365 1.314) 2.912 1.848 ( 0.007 2.827 -1.148) 3.051 1.909 ( -3.798 -3.316 -5.581) 7.521 1.959 ( 3.084 1.511 0.576) 3.483 2.014 ( 0.861 0.467 1.425) 1.729 2.050 ( -0.221 -5.122 -3.871) 6.424 2.097 ( -1.984 -2.603 -0.841) 3.379 2.171 ( -2.159 1.319 0.773) 2.645 2.207 ( 0.898 -0.075 -0.690) 1.135 2.265 ( 1.739 -5.013 -1.249) 5.452 2.358 ( 1.730 -0.551 -2.375) 2.990 2.413 ( -1.361 -0.823 -1.275) 2.039 2.437 ( 1.402 2.953 -1.250) 3.500 2.475 ( 3.484 1.708 0.240) 3.887 2.537 ( 1.977 0.955 0.120) 2.199 2.572 ( 1.350 0.365 3.465) 3.736 2.598 ( 3.921 0.376 1.428) 4.190 2.616 ( 4.648 2.363 0.672) 5.257 2.741 ( 0.814 2.337 0.633) 2.554 2.803 ( 2.006 -0.512 2.977) 3.626 3.519 ( -0.660 0.353 -0.111) 0.757 3.534 ( -0.321 -0.377 -0.034) 0.497 3.613 ( -0.894 1.921 -0.054) 2.120 3.697 ( 0.013 -1.815 -0.168) 1.822 3.944 ( 1.353 0.500 -0.211) 1.458 3.988 ( 0.806 0.020 1.386) 1.603 3.997 ( 1.838 -1.036 -1.619) 2.660 4.009 ( 1.080 -0.427 -0.035) 1.162 4.120 ( 1.700 0.071 1.305) 2.144 4.133 ( 1.657 0.065 1.562) 2.278 4.182 ( -0.173 0.034 -0.458) 0.490 4.192 ( -0.113 -0.184 -0.223) 0.311 4.202 ( -0.352 -0.059 -1.872) 1.906 4.211 ( -0.457 0.019 -1.428) 1.499 4.261 ( 0.893 2.011 -2.358) 3.225 4.292 ( 2.333 -0.045 -0.851) 2.483 4.296 ( 1.519 0.347 -0.729) 1.720 4.333 ( -1.899 -0.687 -1.945) 2.804 4.416 ( 1.989 0.686 2.258) 3.086 4.461 ( 1.013 -1.461 1.651) 2.426 4.761 ( -0.919 0.804 -0.228) 1.242 4.787 ( -0.860 0.428 0.363) 1.027 4.821 ( -1.038 -0.551 0.384) 1.236 4.831 ( -0.059 -0.339 -0.177) 0.387 4.901 ( 0.114 -0.259 0.620) 0.681 4.906 ( 0.155 -0.250 0.575) 0.646 4.926 ( 0.283 0.675 -0.702) 1.014 4.948 ( 0.371 -0.320 -0.455) 0.669 5.447 ( -0.510 0.133 0.832) 0.985 5.455 ( -0.538 -0.191 -0.342) 0.665 5.476 ( -0.196 0.204 -0.428) 0.513 5.484 ( 0.065 -0.217 -0.661) 0.698 6.400 ( -0.000 0.160 -0.626) 0.646 6.408 ( -0.082 -0.184 -0.616) 0.648 6.425 ( 0.514 0.330 0.786) 0.995 6.435 ( 0.343 -0.125 0.383) 0.529 6.702 ( -1.315 0.181 0.260) 1.353 6.705 ( -1.180 0.136 -0.047) 1.189 6.715 ( -1.296 0.592 0.044) 1.426 6.741 ( -1.297 -0.522 -0.076) 1.400 6.754 ( -1.293 0.396 -0.161) 1.362 6.774 ( -0.790 -0.607 -0.417) 1.080 6.793 ( -0.787 0.265 -0.582) 1.014 6.796 ( -0.696 -0.008 0.178) 0.718 6.886 ( -0.084 0.246 0.277) 0.380 6.897 ( -0.183 -0.224 -0.188) 0.345 6.905 ( -0.175 0.257 -0.281) 0.419 6.918 ( -0.153 -0.289 -0.209) 0.388 7.186 ( 1.285 0.198 -0.150) 1.309 7.193 ( 1.063 -0.022 0.039) 1.064 7.216 ( 0.885 -0.162 0.283) 0.943 7.224 ( 0.898 -0.265 0.177) 0.953 7.324 ( -0.230 0.102 -0.188) 0.314 7.329 ( -0.304 -0.122 0.731) 0.801 7.341 ( -0.325 0.341 -0.347) 0.585 7.356 ( -0.661 -0.324 -0.502) 0.891 7.531 ( -0.376 0.404 1.120) 1.248 7.549 ( -0.687 -0.351 1.333) 1.540 7.622 ( 1.085 0.158 -1.187) 1.616 7.631 ( 0.672 -0.225 -0.694) 0.992 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( -8.295 9.208 -2.447) 12.633 0.389 ( -7.759 10.209 4.493) 13.587 0.706 ( -5.578 0.518 -4.325) 7.077 0.783 ( -1.880 0.258 1.924) 2.703 0.840 ( -9.482 1.022 6.531) 11.559 0.997 ( -3.811 -1.307 2.702) 4.851 1.061 ( 1.870 -1.822 -3.727) 4.551 1.113 ( -0.681 3.126 1.804) 3.673 1.117 ( 1.228 3.317 -7.137) 7.965 1.164 ( -2.093 -2.376 2.291) 3.908 1.289 ( 4.025 -0.271 -4.171) 5.803 1.347 ( -0.090 0.925 -1.865) 2.084 1.365 ( -0.734 -1.458 1.591) 2.280 1.433 ( -3.411 -1.266 0.002) 3.638 1.473 ( -0.405 0.993 -1.324) 1.704 1.539 ( 0.719 -0.969 0.286) 1.240 1.592 ( 1.410 0.859 1.108) 1.989 1.650 ( 0.591 0.362 -0.672) 0.965 1.693 ( 1.571 0.385 1.074) 1.942 1.708 ( -0.597 -4.490 -0.328) 4.541 1.744 ( -1.982 0.184 -1.817) 2.695 1.776 ( 0.406 -4.162 1.807) 4.555 1.810 ( 0.700 -0.659 2.046) 2.261 1.846 ( 1.259 -1.871 1.990) 3.007 1.865 ( -1.938 -1.630 0.854) 2.672 1.955 ( -3.451 -3.256 -3.681) 6.005 2.001 ( 0.879 2.228 0.478) 2.442 2.027 ( -1.547 -1.927 0.765) 2.587 2.115 ( 3.208 2.164 1.460) 4.136 2.126 ( -0.932 1.267 -1.057) 1.895 2.242 ( -1.181 1.200 0.605) 1.789 2.292 ( 0.380 -1.041 1.292) 1.703 2.345 ( 1.324 -0.320 -1.703) 2.181 2.366 ( -0.955 0.657 -1.031) 1.551 2.479 ( 3.168 -0.154 0.111) 3.173 2.488 ( 0.873 0.093 -1.485) 1.725 2.552 ( 1.047 0.706 -2.196) 2.533 2.604 ( -1.109 -0.945 1.264) 1.929 2.662 ( 3.422 1.782 0.067) 3.859 2.705 ( 3.881 1.759 0.338) 4.274 2.769 ( 0.494 2.842 -0.122) 2.888 2.849 ( 0.406 -0.710 0.814) 1.154 3.509 ( -0.579 0.630 0.371) 0.933 3.532 ( -0.255 -0.314 0.362) 0.543 3.604 ( -0.176 1.866 0.032) 1.875 3.689 ( -0.320 -1.982 -0.925) 2.211 3.958 ( 1.095 0.607 -0.979) 1.589 3.997 ( 1.039 -0.706 -2.245) 2.573 4.016 ( 0.521 0.074 0.716) 0.889 4.024 ( 1.065 0.087 -0.071) 1.071 4.137 ( -1.001 0.131 0.537) 1.143 4.145 ( -0.962 0.344 -0.874) 1.344 4.179 ( -0.185 0.457 -0.109) 0.505 4.183 ( 0.755 0.068 -1.127) 1.358 4.200 ( 1.875 -0.777 1.972) 2.830 4.208 ( 0.214 -0.457 -0.902) 1.033 4.253 ( 1.111 1.153 0.048) 1.602 4.288 ( -0.489 -0.796 0.043) 0.935 4.328 ( 1.673 0.321 0.850) 1.904 4.368 ( 3.967 -0.167 1.209) 4.150 4.452 ( 0.581 0.247 0.351) 0.723 4.465 ( -1.096 -0.847 -0.273) 1.412 4.748 ( -0.341 0.520 -0.221) 0.660 4.776 ( -0.588 0.101 -0.220) 0.635 4.806 ( -1.168 -0.060 0.357) 1.223 4.828 ( -0.101 -0.463 -0.147) 0.496 4.887 ( -0.046 0.169 -2.012) 2.020 4.905 ( 0.096 -0.795 -1.007) 1.286 4.943 ( 0.145 0.716 1.701) 1.851 4.962 ( 0.417 -0.238 2.115) 2.169 5.440 ( -0.521 0.126 -0.445) 0.697 5.449 ( -0.249 -0.356 0.310) 0.534 5.469 ( 0.018 0.400 -0.287) 0.492 5.481 ( 0.068 -0.167 -0.026) 0.182 6.398 ( 0.254 0.108 -0.051) 0.281 6.404 ( 0.158 -0.143 -0.121) 0.245 6.438 ( 0.046 0.153 0.342) 0.378 6.441 ( 0.250 0.176 -0.049) 0.310 6.681 ( -1.220 0.161 0.254) 1.257 6.683 ( -1.283 0.118 -0.187) 1.302 6.703 ( -0.341 0.167 0.156) 0.410 6.715 ( -1.202 -0.461 -0.499) 1.380 6.742 ( -0.307 0.673 0.192) 0.764 6.760 ( -0.379 -0.060 -0.159) 0.416 6.776 ( -0.373 0.308 -0.224) 0.533 6.787 ( -0.438 -0.117 -0.143) 0.475 6.887 ( -0.107 0.155 0.261) 0.322 6.894 ( 0.032 -0.003 -0.190) 0.192 6.902 ( 0.066 0.132 0.001) 0.148 6.914 ( -0.058 -0.304 -0.165) 0.351 7.202 ( 0.858 0.072 -0.127) 0.870 7.207 ( 0.549 -0.007 -0.000) 0.549 7.227 ( 0.355 -0.051 -0.008) 0.359 7.236 ( 0.513 -0.111 -0.225) 0.572 7.314 ( 0.107 0.274 -1.325) 1.357 7.329 ( -0.198 -0.468 -0.687) 0.854 7.340 ( -0.288 0.082 0.836) 0.888 7.342 ( -0.403 0.073 0.355) 0.542 7.537 ( -0.534 0.403 1.088) 1.277 7.554 ( -0.676 -0.333 1.456) 1.640 7.624 ( 0.924 0.197 -1.319) 1.623 7.636 ( 0.739 -0.315 -0.415) 0.904 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 3.405 -7.498 1.454) 8.363 0.500 ( 3.405 7.498 1.454) 8.363 0.712 ( 2.916 -7.127 2.019) 7.961 0.712 ( 2.916 7.127 2.019) 7.961 0.909 ( -6.931 -3.803 0.471) 7.919 0.909 ( -6.931 3.803 0.471) 7.919 1.064 ( 0.358 -3.844 1.304) 4.075 1.064 ( 0.358 3.844 1.304) 4.075 1.142 ( 4.806 -1.424 -2.760) 5.722 1.142 ( 4.806 1.424 -2.760) 5.722 1.277 ( 1.195 -0.852 -3.363) 3.669 1.277 ( 1.195 0.852 -3.363) 3.669 1.353 ( -1.730 -3.971 2.079) 4.804 1.353 ( -1.730 3.971 2.079) 4.804 1.486 ( -1.950 -3.671 -2.404) 4.802 1.486 ( -1.950 3.671 -2.404) 4.802 1.626 ( -1.712 -3.592 2.644) 4.777 1.626 ( -1.712 3.592 2.644) 4.777 1.685 ( 0.909 -1.334 -0.498) 1.689 1.685 ( 0.909 1.334 -0.498) 1.689 1.780 ( -0.411 -2.307 1.050) 2.568 1.780 ( -0.411 2.307 1.050) 2.568 1.840 ( -1.135 -2.738 1.389) 3.274 1.840 ( -1.135 2.738 1.389) 3.274 1.883 ( 4.772 -3.632 -0.155) 5.999 1.883 ( 4.772 3.632 -0.155) 5.999 2.002 ( -0.701 -2.404 2.126) 3.285 2.002 ( -0.701 2.404 2.126) 3.285 2.182 ( 0.511 -2.742 -0.009) 2.789 2.182 ( 0.511 2.742 -0.009) 2.789 2.243 ( -0.872 -3.249 -0.785) 3.454 2.243 ( -0.872 3.249 -0.785) 3.454 2.383 ( -0.028 -2.197 1.946) 2.935 2.383 ( -0.028 2.197 1.946) 2.935 2.490 ( 2.012 -1.691 -2.486) 3.618 2.490 ( 2.012 1.691 -2.486) 3.618 2.556 ( -0.667 -1.758 -0.369) 1.916 2.556 ( -0.667 1.758 -0.369) 1.916 2.732 ( -0.968 -0.290 0.134) 1.020 2.732 ( -0.968 0.290 0.134) 1.020 2.796 ( -1.069 -2.924 -2.429) 3.948 2.796 ( -1.069 2.924 -2.429) 3.948 3.526 ( 0.004 -0.622 0.824) 1.033 3.526 ( 0.004 0.622 0.824) 1.033 3.636 ( -0.037 -2.011 -0.781) 2.158 3.636 ( -0.037 2.011 -0.781) 2.158 3.968 ( 0.241 -0.793 -2.003) 2.167 3.968 ( 0.241 0.793 -2.003) 2.167 4.035 ( -0.231 -0.806 0.642) 1.056 4.035 ( -0.231 0.806 0.642) 1.056 4.135 ( 0.436 -0.639 -0.389) 0.865 4.135 ( 0.436 0.639 -0.389) 0.865 4.176 ( -0.928 -0.578 -0.784) 1.346 4.176 ( -0.928 0.578 -0.784) 1.346 4.224 ( 1.142 -1.885 2.302) 3.187 4.224 ( 1.142 1.885 2.302) 3.187 4.296 ( 1.552 -0.345 1.542) 2.215 4.296 ( 1.552 0.345 1.542) 2.215 4.367 ( -0.213 -1.664 -0.348) 1.713 4.367 ( -0.213 1.664 -0.348) 1.713 4.451 ( -0.693 -0.255 -0.768) 1.065 4.451 ( -0.693 0.255 -0.768) 1.065 4.757 ( 0.048 -0.983 -0.192) 1.002 4.757 ( 0.048 0.983 -0.192) 1.002 4.809 ( -0.219 -1.194 0.003) 1.214 4.809 ( -0.219 1.194 0.003) 1.214 4.878 ( 0.106 -0.570 -1.438) 1.551 4.878 ( 0.106 0.570 -1.438) 1.551 4.978 ( -0.055 -0.605 1.806) 1.905 4.978 ( -0.055 0.605 1.806) 1.905 5.437 ( -0.070 -0.555 -0.324) 0.647 5.437 ( -0.070 0.555 -0.324) 0.647 5.480 ( 0.280 -0.401 0.190) 0.525 5.480 ( 0.280 0.401 0.190) 0.525 6.408 ( 0.347 -0.142 0.365) 0.523 6.408 ( 0.347 0.142 0.365) 0.523 6.438 ( -0.347 -0.283 -0.299) 0.539 6.438 ( -0.347 0.283 -0.299) 0.539 6.675 ( 0.038 -0.180 0.203) 0.274 6.675 ( 0.038 0.180 0.203) 0.274 6.697 ( -0.005 -0.324 -0.351) 0.478 6.697 ( -0.005 0.324 -0.351) 0.478 6.755 ( 0.004 -0.525 0.250) 0.582 6.755 ( 0.004 0.525 0.250) 0.582 6.781 ( 0.256 -0.082 -0.078) 0.280 6.781 ( 0.256 0.082 -0.078) 0.280 6.892 ( -0.004 -0.259 0.075) 0.270 6.892 ( -0.004 0.259 0.075) 0.270 6.908 ( 0.143 -0.281 -0.066) 0.322 6.908 ( 0.143 0.281 -0.066) 0.322 7.211 ( 0.085 -0.134 0.032) 0.162 7.211 ( 0.085 0.134 0.032) 0.162 7.230 ( -0.166 -0.250 -0.440) 0.532 7.230 ( -0.166 0.250 -0.440) 0.532 7.305 ( -0.064 -0.221 -1.192) 1.214 7.305 ( -0.064 0.221 -1.192) 1.214 7.349 ( 0.248 -0.113 0.563) 0.626 7.349 ( 0.248 0.113 0.563) 0.626 7.548 ( -0.897 -0.618 1.201) 1.622 7.548 ( -0.897 0.618 1.201) 1.622 7.633 ( 0.650 -0.617 -0.666) 1.116 7.633 ( 0.650 0.617 -0.666) 1.116 ======================= Grid point 65 (35/69) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 5.804 -4.661 6.792) 10.077 0.637 ( 5.804 4.661 6.792) 10.077 0.764 ( -0.623 -8.693 2.655) 9.111 0.764 ( -0.623 8.693 2.655) 9.111 0.840 ( 3.184 -4.308 -2.481) 5.903 0.840 ( 3.184 4.308 -2.481) 5.903 1.082 ( 1.597 -2.333 -2.767) 3.956 1.082 ( 1.597 2.333 -2.767) 3.956 1.185 ( 3.541 -3.049 -7.618) 8.937 1.185 ( 3.541 3.049 -7.618) 8.937 1.274 ( 2.270 -3.098 0.718) 3.907 1.274 ( 2.270 3.098 0.718) 3.907 1.359 ( -0.909 -4.246 0.493) 4.370 1.359 ( -0.909 4.246 0.493) 4.370 1.453 ( -1.370 -0.786 2.372) 2.850 1.453 ( -1.370 0.786 2.372) 2.850 1.604 ( -1.385 -1.746 0.900) 2.404 1.604 ( -1.385 1.746 0.900) 2.404 1.696 ( 0.748 -1.261 0.033) 1.466 1.696 ( 0.748 1.261 0.033) 1.466 1.782 ( -0.093 -3.437 0.235) 3.446 1.782 ( -0.093 3.437 0.235) 3.446 1.832 ( -1.272 -5.216 1.598) 5.602 1.832 ( -1.272 5.216 1.598) 5.602 1.955 ( 3.609 -3.913 -2.314) 5.805 1.955 ( 3.609 3.913 -2.314) 5.805 2.038 ( 0.734 -4.118 4.137) 5.883 2.038 ( 0.734 4.118 4.137) 5.883 2.187 ( -1.390 -3.383 -0.132) 3.660 2.187 ( -1.390 3.383 -0.132) 3.660 2.228 ( 0.817 -3.451 0.845) 3.646 2.228 ( 0.817 3.451 0.845) 3.646 2.397 ( -0.051 -2.258 -0.408) 2.295 2.397 ( -0.051 2.258 -0.408) 2.295 2.465 ( -0.183 -0.300 -3.108) 3.128 2.465 ( -0.183 0.300 -3.108) 3.128 2.548 ( -1.204 -0.798 1.092) 1.811 2.548 ( -1.204 0.798 1.092) 1.811 2.692 ( -3.220 -1.893 0.013) 3.735 2.692 ( -3.220 1.893 0.013) 3.735 2.760 ( -0.715 -2.169 -0.465) 2.331 2.760 ( -0.715 2.169 -0.465) 2.331 3.541 ( 0.354 -0.322 1.170) 1.264 3.541 ( 0.354 0.322 1.170) 1.264 3.630 ( 0.556 -1.540 -0.920) 1.878 3.630 ( 0.556 1.540 -0.920) 1.878 3.945 ( -0.400 -0.634 -1.692) 1.850 3.945 ( -0.400 0.634 -1.692) 1.850 4.025 ( -1.353 -1.466 0.264) 2.012 4.025 ( -1.353 1.466 0.264) 2.012 4.144 ( -0.067 -0.547 0.256) 0.608 4.144 ( -0.067 0.547 0.256) 0.608 4.160 ( 0.482 -0.308 -0.539) 0.787 4.160 ( 0.482 0.308 -0.539) 0.787 4.254 ( -0.289 -0.632 0.781) 1.045 4.254 ( -0.289 0.632 0.781) 1.045 4.331 ( -1.580 -0.365 -0.029) 1.622 4.331 ( -1.580 0.365 -0.029) 1.622 4.355 ( 0.732 -0.745 0.892) 1.374 4.355 ( 0.732 0.745 0.892) 1.374 4.419 ( -1.206 -1.191 -0.540) 1.779 4.419 ( -1.206 1.191 -0.540) 1.779 4.760 ( 0.677 -1.281 -0.275) 1.475 4.760 ( 0.677 1.281 -0.275) 1.475 4.810 ( 0.297 -1.434 0.085) 1.467 4.810 ( 0.297 1.434 0.085) 1.467 4.864 ( 0.070 -0.445 -1.024) 1.119 4.864 ( 0.070 0.445 -1.024) 1.119 4.992 ( -0.333 -0.124 1.348) 1.394 4.992 ( -0.333 0.124 1.348) 1.394 5.434 ( 0.219 -0.747 -0.304) 0.836 5.434 ( 0.219 0.747 -0.304) 0.836 5.487 ( 0.340 -0.405 0.063) 0.533 5.487 ( 0.340 0.405 0.063) 0.533 6.414 ( -0.230 -0.215 -0.051) 0.319 6.414 ( -0.230 0.215 -0.051) 0.319 6.431 ( 0.010 -0.232 0.188) 0.299 6.431 ( 0.010 0.232 0.188) 0.299 6.688 ( 1.043 -0.480 0.214) 1.168 6.688 ( 1.043 0.480 0.214) 1.168 6.700 ( 0.961 -0.684 -0.410) 1.249 6.700 ( 0.961 0.684 -0.410) 1.249 6.760 ( 0.334 -0.569 0.289) 0.720 6.760 ( 0.334 0.569 0.289) 0.720 6.785 ( 0.461 -0.466 -0.276) 0.711 6.785 ( 0.461 0.466 -0.276) 0.711 6.893 ( -0.021 -0.411 0.161) 0.442 6.893 ( -0.021 0.411 0.161) 0.442 6.910 ( 0.317 -0.202 -0.167) 0.412 6.910 ( 0.317 0.202 -0.167) 0.412 7.208 ( -0.520 -0.219 0.187) 0.595 7.208 ( -0.520 0.219 0.187) 0.595 7.217 ( -0.720 -0.269 -0.490) 0.911 7.217 ( -0.720 0.269 -0.490) 0.911 7.296 ( 0.361 -0.140 -0.828) 0.914 7.296 ( 0.361 0.140 -0.828) 0.914 7.360 ( 0.551 -0.228 0.291) 0.664 7.360 ( 0.551 0.228 0.291) 0.664 7.544 ( -1.163 -0.690 1.111) 1.750 7.544 ( -1.163 0.690 1.111) 1.750 7.634 ( 0.366 -0.834 -0.637) 1.112 7.634 ( 0.366 0.834 -0.637) 1.112 ======================= Grid point 67 (36/69) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -1.475 -2.209 1.342) 2.976 0.723 ( -1.475 2.209 1.342) 2.976 0.810 ( 3.335 -2.838 2.547) 5.066 0.810 ( 3.335 2.838 2.547) 5.066 0.949 ( 5.171 -3.049 -2.145) 6.375 0.949 ( 5.171 3.049 -2.145) 6.375 1.001 ( 3.607 -2.286 -7.205) 8.375 1.001 ( 3.607 2.286 -7.205) 8.375 1.213 ( 5.426 -1.668 -0.586) 5.707 1.213 ( 5.426 1.668 -0.586) 5.707 1.303 ( -0.220 -3.325 0.917) 3.456 1.303 ( -0.220 3.325 0.917) 3.456 1.372 ( 2.181 -3.644 0.674) 4.300 1.372 ( 2.181 3.644 0.674) 4.300 1.450 ( -1.415 -3.393 2.172) 4.270 1.450 ( -1.415 3.393 2.172) 4.270 1.596 ( -2.057 -4.137 0.380) 4.636 1.596 ( -2.057 4.137 0.380) 4.636 1.708 ( 0.615 -3.223 0.076) 3.282 1.708 ( 0.615 3.223 0.076) 3.282 1.773 ( -2.734 -2.541 -0.565) 3.775 1.773 ( -2.734 2.541 -0.565) 3.775 1.849 ( 3.634 -8.198 0.067) 8.967 1.849 ( 3.634 8.198 0.067) 8.967 1.971 ( 1.687 -0.685 -1.515) 2.368 1.971 ( 1.687 0.685 -1.515) 2.368 2.063 ( -1.868 -4.672 0.111) 5.033 2.063 ( -1.868 4.672 0.111) 5.033 2.166 ( -0.210 -4.152 1.266) 4.346 2.166 ( -0.210 4.152 1.266) 4.346 2.263 ( 0.744 -2.687 -1.416) 3.127 2.263 ( 0.744 2.687 -1.416) 3.127 2.332 ( -2.771 -2.445 -1.803) 4.112 2.332 ( -2.771 2.445 -1.803) 4.112 2.474 ( 1.123 -0.428 0.351) 1.252 2.474 ( 1.123 0.428 0.351) 1.252 2.542 ( -1.070 -2.027 1.712) 2.861 2.542 ( -1.070 2.027 1.712) 2.861 2.647 ( -2.982 -2.814 1.511) 4.370 2.647 ( -2.982 2.814 1.511) 4.370 2.767 ( 1.082 -1.000 1.067) 1.819 2.767 ( 1.082 1.000 1.067) 1.819 3.560 ( 0.390 -0.249 0.937) 1.045 3.560 ( 0.390 0.249 0.937) 1.045 3.634 ( 1.147 -0.887 -0.732) 1.624 3.634 ( 1.147 0.887 -0.732) 1.624 3.921 ( -0.600 -0.728 -1.076) 1.431 3.921 ( -0.600 0.728 -1.076) 1.431 4.005 ( -1.211 -1.861 0.106) 2.223 4.005 ( -1.211 1.861 0.106) 2.223 4.133 ( -1.928 -0.536 1.218) 2.343 4.133 ( -1.928 0.536 1.218) 2.343 4.175 ( 1.397 -0.420 -0.583) 1.571 4.175 ( 1.397 0.420 -0.583) 1.571 4.233 ( -2.193 -0.356 -0.611) 2.305 4.233 ( -2.193 0.356 -0.611) 2.305 4.272 ( -3.496 -0.683 -1.811) 3.996 4.272 ( -3.496 0.683 -1.811) 3.996 4.328 ( -1.924 -1.239 -1.528) 2.752 4.328 ( -1.924 1.239 -1.528) 2.752 4.456 ( 2.398 -1.065 2.281) 3.477 4.456 ( 2.398 1.065 2.281) 3.477 4.770 ( 0.841 -1.441 -0.190) 1.680 4.770 ( 0.841 1.441 -0.190) 1.680 4.818 ( 0.483 -1.267 0.077) 1.358 4.818 ( 0.483 1.267 0.077) 1.358 4.861 ( 0.406 -0.301 -0.154) 0.529 4.861 ( 0.406 0.301 -0.154) 0.529 4.998 ( -0.364 -0.628 0.698) 1.007 4.998 ( -0.364 0.628 0.698) 1.007 5.437 ( 0.429 -0.875 -0.117) 0.982 5.437 ( 0.429 0.875 -0.117) 0.982 5.491 ( 0.213 -0.262 -0.210) 0.398 5.491 ( 0.213 0.262 -0.210) 0.398 6.401 ( -0.637 -0.571 -0.417) 0.952 6.401 ( -0.637 0.571 -0.417) 0.952 6.440 ( 0.317 -0.143 0.513) 0.620 6.440 ( 0.317 0.143 0.513) 0.620 6.709 ( 1.304 -0.394 -0.029) 1.362 6.709 ( 1.304 0.394 -0.029) 1.362 6.717 ( 1.359 -0.645 -0.045) 1.504 6.717 ( 1.359 0.645 -0.045) 1.504 6.773 ( 0.851 -0.263 0.318) 0.946 6.773 ( 0.851 0.263 0.318) 0.946 6.788 ( 0.532 -0.462 -0.591) 0.920 6.788 ( 0.532 0.462 -0.591) 0.920 6.894 ( -0.026 -0.647 0.172) 0.670 6.894 ( -0.026 0.647 0.172) 0.670 6.914 ( 0.434 -0.198 -0.320) 0.575 6.914 ( 0.434 0.198 -0.320) 0.575 7.197 ( -1.000 -0.240 -0.329) 1.080 7.197 ( -1.000 0.240 -0.329) 1.080 7.199 ( -0.947 -0.305 0.321) 1.046 7.199 ( -0.947 0.305 0.321) 1.046 7.298 ( 0.695 -0.414 -0.362) 0.887 7.298 ( 0.695 0.414 -0.362) 0.887 7.372 ( 0.607 -0.239 0.105) 0.661 7.372 ( 0.607 0.239 0.105) 0.661 7.537 ( -1.120 -0.701 1.007) 1.661 7.537 ( -1.120 0.701 1.007) 1.661 7.630 ( 0.107 -0.908 -0.723) 1.166 7.630 ( 0.107 0.908 -0.723) 1.166 ======================= Grid point 69 (37/69) ======================= q-point: ( 0.33 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -3.450 -3.640 -2.841) 5.764 0.662 ( -3.450 3.640 -2.841) 5.764 0.868 ( 4.433 -2.692 0.008) 5.187 0.868 ( 4.433 2.692 0.008) 5.187 0.967 ( 4.686 -3.792 -0.180) 6.031 0.967 ( 4.686 3.792 -0.180) 6.031 1.078 ( 3.797 -3.575 -2.177) 5.651 1.078 ( 3.797 3.575 -2.177) 5.651 1.279 ( -0.008 -2.611 2.539) 3.642 1.279 ( -0.008 2.611 2.539) 3.642 1.326 ( 2.104 -2.044 0.667) 3.008 1.326 ( 2.104 2.044 0.667) 3.008 1.390 ( 0.495 -3.135 -1.639) 3.572 1.390 ( 0.495 3.135 -1.639) 3.572 1.520 ( 4.147 -2.390 4.737) 6.734 1.520 ( 4.147 2.390 4.737) 6.734 1.559 ( -0.819 -1.430 -0.954) 1.904 1.559 ( -0.819 1.430 -0.954) 1.904 1.671 ( -2.934 -0.111 -1.162) 3.158 1.671 ( -2.934 0.111 -1.162) 3.158 1.756 ( 0.752 -3.084 0.240) 3.183 1.756 ( 0.752 3.084 0.240) 3.183 1.901 ( 2.443 -3.387 -1.142) 4.330 1.901 ( 2.443 3.387 -1.142) 4.330 1.965 ( -1.023 -2.188 -0.063) 2.416 1.965 ( -1.023 2.188 -0.063) 2.416 2.022 ( -1.700 -5.577 -1.256) 5.964 2.022 ( -1.700 5.577 -1.256) 5.964 2.144 ( -3.311 -1.654 -3.035) 4.787 2.144 ( -3.311 1.654 -3.035) 4.787 2.225 ( 0.612 -1.343 0.901) 1.729 2.225 ( 0.612 1.343 0.901) 1.729 2.347 ( 1.744 -1.726 1.161) 2.715 2.347 ( 1.744 1.726 1.161) 2.715 2.459 ( -0.840 -0.498 -2.860) 3.022 2.459 ( -0.840 0.498 -2.860) 3.022 2.538 ( -1.663 -0.802 0.570) 1.933 2.538 ( -1.663 0.802 0.570) 1.933 2.641 ( -0.813 -3.436 1.933) 4.025 2.641 ( -0.813 3.436 1.933) 4.025 2.808 ( 1.544 -1.026 1.324) 2.278 2.808 ( 1.544 1.026 1.324) 2.278 3.569 ( 0.069 -0.220 -0.041) 0.234 3.569 ( 0.069 0.220 -0.041) 0.234 3.650 ( 1.350 -0.440 -0.189) 1.432 3.650 ( 1.350 0.440 -0.189) 1.432 3.905 ( -0.265 -0.926 -0.223) 0.989 3.905 ( -0.265 0.926 -0.223) 0.989 3.989 ( -0.911 -1.844 0.132) 2.061 3.989 ( -0.911 1.844 0.132) 2.061 4.108 ( -2.756 -0.311 1.054) 2.967 4.108 ( -2.756 0.311 1.054) 2.967 4.153 ( -2.729 -0.549 -1.986) 3.419 4.153 ( -2.729 0.549 -1.986) 3.419 4.203 ( -1.070 -0.658 0.504) 1.353 4.203 ( -1.070 0.658 0.504) 1.353 4.213 ( -0.498 -0.404 -0.941) 1.139 4.213 ( -0.498 0.404 -0.941) 1.139 4.293 ( -0.792 -0.505 -0.601) 1.115 4.293 ( -0.792 0.505 -0.601) 1.115 4.508 ( 1.727 -1.132 0.514) 2.128 4.508 ( 1.727 1.132 0.514) 2.128 4.782 ( 0.623 -1.363 0.112) 1.503 4.782 ( 0.623 1.363 0.112) 1.503 4.826 ( 0.411 -0.868 0.062) 0.963 4.826 ( 0.411 0.868 0.062) 0.963 4.870 ( 0.417 -0.186 0.174) 0.489 4.870 ( 0.417 0.186 0.174) 0.489 4.995 ( -0.288 -0.912 -0.197) 0.977 4.995 ( -0.288 0.912 -0.197) 0.977 5.445 ( 0.429 -0.884 0.130) 0.992 5.445 ( 0.429 0.884 0.130) 0.992 5.490 ( 0.154 -0.105 -0.322) 0.372 5.490 ( 0.154 0.105 -0.322) 0.372 6.389 ( -0.416 -0.702 -0.187) 0.837 6.389 ( -0.416 0.702 -0.187) 0.837 6.448 ( 0.124 -0.052 0.134) 0.190 6.448 ( 0.124 0.052 0.134) 0.190 6.726 ( 0.813 -0.433 -0.048) 0.922 6.726 ( 0.813 0.433 -0.048) 0.922 6.739 ( 1.075 -0.366 0.205) 1.154 6.739 ( 1.075 0.366 0.205) 1.154 6.786 ( 0.520 -0.748 -0.230) 0.939 6.786 ( 0.520 0.748 -0.230) 0.939 6.798 ( 1.242 -0.163 -0.055) 1.254 6.798 ( 1.242 0.163 -0.055) 1.254 6.896 ( -0.056 -0.803 0.175) 0.824 6.896 ( -0.056 0.803 0.175) 0.824 6.917 ( 0.509 -0.241 -0.415) 0.700 6.917 ( 0.509 0.241 -0.415) 0.700 7.177 ( -0.984 -0.428 -0.259) 1.104 7.177 ( -0.984 0.428 -0.259) 1.104 7.188 ( -0.942 -0.358 0.442) 1.100 7.188 ( -0.942 0.358 0.442) 1.100 7.308 ( 0.630 -0.688 0.057) 0.935 7.308 ( 0.630 0.688 0.057) 0.935 7.381 ( 0.450 -0.102 -0.139) 0.482 7.381 ( 0.450 0.102 -0.139) 0.482 7.532 ( -0.870 -0.678 0.981) 1.476 7.532 ( -0.870 0.678 0.981) 1.476 7.623 ( 0.098 -0.809 -0.755) 1.111 7.623 ( 0.098 0.809 -0.755) 1.111 ======================= Grid point 71 (38/69) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 2.087 -4.224 3.753) 6.024 0.647 ( 2.087 4.224 3.753) 6.024 0.947 ( 1.457 -4.497 3.049) 5.625 0.947 ( 1.457 4.497 3.049) 5.625 1.034 ( 2.438 -0.861 -2.523) 3.612 1.034 ( 2.438 0.861 -2.523) 3.612 1.097 ( 2.673 -3.116 1.654) 4.426 1.097 ( 2.673 3.116 1.654) 4.426 1.279 ( -0.820 -3.522 0.151) 3.619 1.279 ( -0.820 3.522 0.151) 3.619 1.344 ( -2.125 -3.267 -1.894) 4.333 1.344 ( -2.125 3.267 -1.894) 4.333 1.394 ( 2.377 -1.282 1.198) 2.954 1.394 ( 2.377 1.282 1.198) 2.954 1.526 ( 0.470 -1.612 -0.012) 1.679 1.526 ( 0.470 1.612 -0.012) 1.679 1.585 ( -2.015 -2.824 -0.167) 3.473 1.585 ( -2.015 2.824 -0.167) 3.473 1.669 ( -0.837 -1.435 1.713) 2.387 1.669 ( -0.837 1.435 1.713) 2.387 1.785 ( 3.303 -2.262 -1.212) 4.183 1.785 ( 3.303 2.262 -1.212) 4.183 1.903 ( -0.772 -1.492 0.011) 1.680 1.903 ( -0.772 1.492 0.011) 1.680 1.932 ( 1.205 -2.141 -3.573) 4.336 1.932 ( 1.205 2.141 -3.573) 4.336 2.004 ( -1.570 -2.814 2.505) 4.082 2.004 ( -1.570 2.814 2.505) 4.082 2.088 ( -0.468 -0.698 1.357) 1.596 2.088 ( -0.468 0.698 1.357) 1.596 2.259 ( 0.577 -0.957 0.441) 1.201 2.259 ( 0.577 0.957 0.441) 1.201 2.358 ( 0.837 -3.156 -3.201) 4.573 2.358 ( 0.837 3.156 -3.201) 4.573 2.426 ( 0.752 -3.114 -0.908) 3.330 2.426 ( 0.752 3.114 -0.908) 3.330 2.516 ( -0.955 -1.093 -0.073) 1.454 2.516 ( -0.955 1.093 -0.073) 1.454 2.627 ( -1.698 -2.758 -1.556) 3.594 2.627 ( -1.698 2.758 -1.556) 3.594 2.817 ( -0.670 -1.808 -1.498) 2.442 2.817 ( -0.670 1.808 -1.498) 2.442 3.564 ( -0.090 -0.091 -0.685) 0.697 3.564 ( -0.090 0.091 -0.685) 0.697 3.669 ( 0.788 -0.690 0.150) 1.058 3.669 ( 0.788 0.690 0.150) 1.058 3.908 ( 0.409 -1.186 0.422) 1.324 3.908 ( 0.409 1.186 0.422) 1.324 3.976 ( -0.788 -1.441 -0.036) 1.643 3.976 ( -0.788 1.441 -0.036) 1.643 4.078 ( -1.534 -0.542 0.717) 1.778 4.078 ( -1.534 0.542 0.717) 1.778 4.112 ( -0.629 -0.864 0.175) 1.083 4.112 ( -0.629 0.864 0.175) 1.083 4.182 ( -0.264 -0.743 -0.311) 0.848 4.182 ( -0.264 0.743 -0.311) 0.848 4.218 ( 0.163 -0.407 0.325) 0.546 4.218 ( 0.163 0.407 0.325) 0.546 4.292 ( 0.482 -1.272 0.716) 1.537 4.292 ( 0.482 1.272 0.716) 1.537 4.518 ( 0.141 -1.267 -1.465) 1.943 4.518 ( 0.141 1.267 -1.465) 1.943 4.793 ( 0.265 -0.972 0.539) 1.142 4.793 ( 0.265 0.972 0.539) 1.142 4.831 ( 0.093 -0.793 -0.062) 0.801 4.831 ( 0.093 0.793 -0.062) 0.801 4.876 ( 0.092 -0.677 0.200) 0.711 4.876 ( 0.092 0.677 0.200) 0.711 4.984 ( -0.190 -0.853 -1.155) 1.448 4.984 ( -0.190 0.853 -1.155) 1.448 5.452 ( 0.130 -0.839 0.324) 0.909 5.452 ( 0.130 0.839 0.324) 0.909 5.489 ( 0.211 -0.064 -0.311) 0.381 5.489 ( 0.211 0.064 -0.311) 0.381 6.385 ( 0.003 -0.719 0.216) 0.751 6.385 ( 0.003 0.719 0.216) 0.751 6.446 ( -0.127 -0.119 -0.434) 0.467 6.446 ( -0.127 0.119 -0.434) 0.467 6.735 ( 0.277 -0.770 0.089) 0.823 6.735 ( 0.277 0.770 0.089) 0.823 6.751 ( 0.185 -0.610 -0.034) 0.639 6.751 ( 0.185 0.610 -0.034) 0.639 6.795 ( 0.567 -0.406 0.180) 0.720 6.795 ( 0.567 0.406 0.180) 0.720 6.815 ( 0.580 -0.495 0.105) 0.770 6.815 ( 0.580 0.495 0.105) 0.770 6.896 ( -0.136 -0.841 0.189) 0.873 6.896 ( -0.136 0.841 0.189) 0.873 6.920 ( 0.453 -0.277 -0.434) 0.685 6.920 ( 0.453 0.277 -0.434) 0.685 7.162 ( -0.417 -0.316 -0.268) 0.588 7.162 ( -0.417 0.316 -0.268) 0.588 7.180 ( -0.525 -0.253 0.401) 0.708 7.180 ( -0.525 0.253 0.401) 0.708 7.318 ( 0.269 -0.746 0.411) 0.893 7.318 ( 0.269 0.746 0.411) 0.893 7.382 ( 0.130 -0.118 -0.479) 0.510 7.382 ( 0.130 0.118 -0.479) 0.510 7.531 ( -0.650 -0.688 1.038) 1.405 7.531 ( -0.650 0.688 1.038) 1.405 7.619 ( 0.356 -0.620 -0.680) 0.987 7.619 ( 0.356 0.620 -0.680) 0.987 ======================= Grid point 73 (39/69) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 3.124 -3.844 7.905) 9.329 0.778 ( 3.124 3.844 7.905) 9.329 0.931 ( -4.385 -1.317 0.531) 4.609 0.931 ( -4.385 1.317 0.531) 4.609 1.043 ( -0.641 -2.472 1.771) 3.108 1.043 ( -0.641 2.472 1.771) 3.108 1.143 ( 0.318 -2.059 -2.098) 2.957 1.143 ( 0.318 2.059 -2.098) 2.957 1.279 ( -1.474 -7.029 -0.079) 7.183 1.279 ( -1.474 7.029 -0.079) 7.183 1.305 ( 0.524 -2.317 1.673) 2.905 1.305 ( 0.524 2.317 1.673) 2.905 1.412 ( 0.435 -1.630 -0.302) 1.714 1.412 ( 0.435 1.630 -0.302) 1.714 1.502 ( -3.884 -1.155 -1.418) 4.293 1.502 ( -3.884 1.155 -1.418) 4.293 1.572 ( 0.380 -1.294 0.260) 1.374 1.572 ( 0.380 1.294 0.260) 1.374 1.685 ( 1.740 -1.003 0.864) 2.186 1.685 ( 1.740 1.003 0.864) 2.186 1.766 ( 1.199 -4.235 -1.522) 4.657 1.766 ( 1.199 4.235 -1.522) 4.657 1.870 ( -2.529 -4.329 -0.801) 5.077 1.870 ( -2.529 4.329 -0.801) 5.077 1.947 ( -0.118 -4.914 -1.319) 5.089 1.947 ( -0.118 4.914 -1.319) 5.089 2.030 ( 1.866 -4.492 1.565) 5.110 2.030 ( 1.866 4.492 1.565) 5.110 2.172 ( 2.919 -1.104 2.951) 4.296 2.172 ( 2.919 1.104 2.951) 4.296 2.203 ( -0.607 -0.756 -1.412) 1.713 2.203 ( -0.607 0.756 -1.412) 1.713 2.376 ( 1.170 -3.565 -0.523) 3.789 2.376 ( 1.170 3.565 -0.523) 3.789 2.417 ( -0.858 -4.648 -1.309) 4.904 2.417 ( -0.858 4.648 -1.309) 4.904 2.500 ( -0.241 -0.885 -1.464) 1.728 2.500 ( -0.241 0.885 -1.464) 1.728 2.570 ( 0.027 -0.942 -3.079) 3.220 2.570 ( 0.027 0.942 -3.079) 3.220 2.773 ( -1.204 -1.913 -2.177) 3.138 2.773 ( -1.204 1.913 -2.177) 3.138 3.552 ( -0.258 -0.202 -0.937) 0.992 3.552 ( -0.258 0.202 -0.937) 0.992 3.675 ( -0.227 -1.228 0.103) 1.253 3.675 ( -0.227 1.228 0.103) 1.253 3.925 ( 0.953 -1.367 0.411) 1.716 3.925 ( 0.953 1.367 0.411) 1.716 3.967 ( -0.009 -1.004 -0.122) 1.012 3.967 ( -0.009 1.004 -0.122) 1.012 4.073 ( -0.101 -0.527 0.623) 0.822 4.073 ( -0.101 0.527 0.623) 0.822 4.133 ( 2.357 -1.215 0.088) 2.654 4.133 ( 2.357 1.215 0.088) 2.654 4.186 ( 0.667 -0.249 0.269) 0.761 4.186 ( 0.667 0.249 0.269) 0.761 4.240 ( 1.255 -0.739 1.588) 2.155 4.240 ( 1.255 0.739 1.588) 2.155 4.316 ( 0.792 -1.602 1.785) 2.526 4.316 ( 0.792 1.602 1.785) 2.526 4.477 ( -1.700 -1.698 -3.562) 4.297 4.477 ( -1.700 1.698 -3.562) 4.297 4.801 ( -0.273 -0.575 0.730) 0.968 4.801 ( -0.273 0.575 0.730) 0.968 4.829 ( -0.172 -0.637 -0.041) 0.662 4.829 ( -0.172 0.637 -0.041) 0.662 4.879 ( -0.164 -0.830 0.582) 1.027 4.879 ( -0.164 0.830 0.582) 1.027 4.965 ( 0.017 -0.633 -1.843) 1.949 4.965 ( 0.017 0.633 -1.843) 1.949 5.455 ( -0.254 -0.766 0.455) 0.927 5.455 ( -0.254 0.766 0.455) 0.927 5.489 ( 0.217 -0.113 -0.368) 0.442 5.489 ( 0.217 0.113 -0.368) 0.442 6.393 ( 0.383 -0.622 0.588) 0.938 6.393 ( 0.383 0.622 0.588) 0.938 6.435 ( -0.253 -0.229 -0.866) 0.931 6.435 ( -0.253 0.229 -0.866) 0.931 6.737 ( -0.245 -0.719 0.203) 0.786 6.737 ( -0.245 0.719 0.203) 0.786 6.747 ( -0.393 -0.790 -0.171) 0.899 6.747 ( -0.393 0.790 -0.171) 0.899 6.802 ( -0.293 -0.201 0.413) 0.544 6.802 ( -0.293 0.201 0.413) 0.544 6.816 ( -0.447 -0.187 0.049) 0.487 6.816 ( -0.447 0.187 0.049) 0.487 6.895 ( -0.199 -0.770 0.145) 0.808 6.895 ( -0.199 0.770 0.145) 0.808 6.921 ( 0.187 -0.301 -0.397) 0.532 6.921 ( 0.187 0.301 -0.397) 0.532 7.160 ( 0.517 -0.191 -0.244) 0.603 7.160 ( 0.517 0.191 -0.244) 0.603 7.182 ( 0.270 -0.203 0.376) 0.505 7.182 ( 0.270 0.203 0.376) 0.505 7.325 ( -0.196 -0.455 0.671) 0.835 7.325 ( -0.196 0.455 0.671) 0.835 7.375 ( -0.158 -0.298 -0.746) 0.819 7.375 ( -0.158 0.298 -0.746) 0.819 7.533 ( -0.570 -0.705 1.085) 1.414 7.533 ( -0.570 0.705 1.085) 1.414 7.619 ( 0.635 -0.466 -0.678) 1.039 7.619 ( 0.635 0.466 -0.678) 1.039 ======================= Grid point 75 (40/69) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -7.266 -4.169 -1.598) 8.528 0.771 ( -7.266 4.169 -1.598) 8.528 0.908 ( -5.761 -5.486 3.619) 8.740 0.908 ( -5.761 5.486 3.619) 8.740 1.034 ( -2.479 -1.653 0.870) 3.104 1.034 ( -2.479 1.653 0.870) 3.104 1.101 ( -0.008 -4.378 -2.324) 4.956 1.101 ( -0.008 4.378 -2.324) 4.956 1.210 ( -2.759 -2.857 0.024) 3.972 1.210 ( -2.759 2.857 0.024) 3.972 1.365 ( 0.239 -1.247 1.988) 2.359 1.365 ( 0.239 1.247 1.988) 2.359 1.420 ( 1.386 -1.953 -0.406) 2.429 1.420 ( 1.386 1.953 -0.406) 2.429 1.473 ( 1.809 -0.659 0.684) 2.043 1.473 ( 1.809 0.659 0.684) 2.043 1.565 ( -1.363 -1.254 1.440) 2.346 1.565 ( -1.363 1.254 1.440) 2.346 1.711 ( 1.014 -3.509 -0.217) 3.659 1.711 ( 1.014 3.509 -0.217) 3.659 1.772 ( -4.720 -3.521 2.184) 6.281 1.772 ( -4.720 3.521 2.184) 6.281 1.851 ( 2.221 -4.314 -2.571) 5.491 1.851 ( 2.221 4.314 -2.571) 5.491 1.931 ( 1.184 -5.570 -1.195) 5.818 1.931 ( 1.184 5.570 -1.195) 5.818 2.020 ( -2.348 -3.579 -2.296) 4.857 2.020 ( -2.348 3.579 -2.296) 4.857 2.133 ( 0.876 -1.389 -0.212) 1.656 2.133 ( 0.876 1.389 -0.212) 1.656 2.266 ( -5.059 -3.034 -4.756) 7.578 2.266 ( -5.059 3.034 -4.756) 7.578 2.353 ( 5.697 -2.385 2.015) 6.497 2.353 ( 5.697 2.385 2.015) 6.497 2.436 ( 1.016 -2.442 1.389) 2.988 2.436 ( 1.016 2.442 1.389) 2.988 2.505 ( 1.969 -1.193 0.240) 2.315 2.505 ( 1.969 1.193 0.240) 2.315 2.578 ( 3.064 -0.427 -1.149) 3.300 2.578 ( 3.064 0.427 -1.149) 3.300 2.749 ( 0.072 -0.593 0.086) 0.604 2.749 ( 0.072 0.593 0.086) 0.604 3.537 ( -0.403 -0.321 -0.626) 0.811 3.537 ( -0.403 0.321 -0.626) 0.811 3.667 ( -0.750 -1.902 0.021) 2.044 3.667 ( -0.750 1.902 0.021) 2.044 3.945 ( 1.365 -1.614 -0.242) 2.127 3.945 ( 1.365 1.614 -0.242) 2.127 3.976 ( 0.809 -0.778 0.459) 1.212 3.976 ( 0.809 0.778 0.459) 1.212 4.090 ( 1.268 -0.477 0.651) 1.503 4.090 ( 1.268 0.477 0.651) 1.503 4.170 ( 1.954 -0.721 -0.213) 2.093 4.170 ( 1.954 0.721 -0.213) 2.093 4.214 ( 2.174 -0.377 0.018) 2.207 4.214 ( 2.174 0.377 0.018) 2.207 4.261 ( 0.154 -0.921 -0.253) 0.968 4.261 ( 0.154 0.921 -0.253) 0.968 4.369 ( 1.628 -1.667 2.379) 3.330 4.369 ( 1.628 1.667 2.379) 3.330 4.394 ( -2.228 -1.660 -3.493) 4.463 4.394 ( -2.228 1.660 -3.493) 4.463 4.797 ( -0.975 -0.630 0.364) 1.216 4.797 ( -0.975 0.630 0.364) 1.216 4.825 ( -0.318 -0.484 0.134) 0.595 4.825 ( -0.318 0.484 0.134) 0.595 4.888 ( -0.019 -0.342 1.298) 1.343 4.888 ( -0.019 0.342 1.298) 1.343 4.946 ( 0.350 -0.209 -1.892) 1.936 4.946 ( 0.350 0.209 -1.892) 1.936 5.455 ( -0.480 -0.573 0.492) 0.895 5.455 ( -0.480 0.573 0.492) 0.895 5.487 ( 0.056 -0.180 -0.564) 0.594 5.487 ( 0.056 0.180 -0.564) 0.594 6.407 ( 0.338 -0.305 0.360) 0.581 6.407 ( 0.338 0.305 0.360) 0.581 6.423 ( 0.011 -0.185 -0.552) 0.582 6.423 ( 0.011 0.185 -0.552) 0.582 6.726 ( -1.109 -0.472 -0.058) 1.207 6.726 ( -1.109 0.472 -0.058) 1.207 6.741 ( -0.508 -0.982 0.229) 1.129 6.741 ( -0.508 0.982 0.229) 1.129 6.788 ( -1.539 -0.237 -0.122) 1.562 6.788 ( -1.539 0.237 -0.122) 1.562 6.808 ( -0.652 -0.164 0.088) 0.678 6.808 ( -0.652 0.164 0.088) 0.678 6.893 ( -0.183 -0.581 0.062) 0.612 6.893 ( -0.183 0.581 0.062) 0.612 6.918 ( -0.084 -0.338 -0.354) 0.496 6.918 ( -0.084 0.338 -0.354) 0.496 7.172 ( 1.162 -0.242 -0.146) 1.196 7.172 ( 1.162 0.242 -0.146) 1.196 7.197 ( 0.917 -0.328 0.412) 1.057 7.197 ( 0.917 0.328 0.412) 1.057 7.327 ( -0.469 -0.098 0.719) 0.864 7.327 ( -0.469 0.098 0.719) 0.864 7.362 ( -0.312 -0.461 -0.783) 0.960 7.362 ( -0.312 0.461 -0.783) 0.960 7.536 ( -0.546 -0.648 1.117) 1.402 7.536 ( -0.546 0.648 1.117) 1.402 7.623 ( 0.780 -0.354 -0.820) 1.185 7.623 ( 0.780 0.354 -0.820) 1.185 ======================= Grid point 77 (41/69) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -6.278 -7.078 -3.181) 9.981 0.619 ( -6.278 7.078 -3.181) 9.981 0.747 ( -9.558 -6.779 -4.217) 12.454 0.747 ( -9.558 6.779 -4.217) 12.454 1.015 ( -2.671 -0.429 3.710) 4.591 1.015 ( -2.671 0.429 3.710) 4.591 1.085 ( -1.963 -2.205 0.628) 3.019 1.085 ( -1.963 2.205 0.628) 3.019 1.205 ( 1.323 -2.515 -1.426) 3.180 1.205 ( 1.323 2.515 -1.426) 3.180 1.361 ( -0.424 -1.797 -2.133) 2.822 1.361 ( -0.424 1.797 -2.133) 2.822 1.431 ( -3.140 -4.592 2.496) 6.097 1.431 ( -3.140 4.592 2.496) 6.097 1.531 ( 3.373 -2.870 -0.192) 4.433 1.531 ( 3.373 2.870 -0.192) 4.433 1.570 ( -1.863 -3.026 4.107) 5.431 1.570 ( -1.863 3.026 4.107) 5.431 1.658 ( -2.828 -4.762 -1.513) 5.742 1.658 ( -2.828 4.762 -1.513) 5.742 1.764 ( -0.835 -1.308 0.995) 1.844 1.764 ( -0.835 1.308 0.995) 1.844 1.807 ( -1.753 -3.659 -0.849) 4.145 1.807 ( -1.753 3.659 -0.849) 4.145 1.922 ( -0.596 -5.626 -3.441) 6.622 1.922 ( -0.596 5.626 -3.441) 6.622 2.010 ( 1.970 -1.590 0.423) 2.567 2.010 ( 1.970 1.590 0.423) 2.567 2.132 ( 0.331 -4.682 -2.038) 5.117 2.132 ( 0.331 4.682 -2.038) 5.117 2.215 ( 1.883 -0.940 1.100) 2.375 2.215 ( 1.883 0.940 1.100) 2.375 2.374 ( -0.170 -2.190 -2.193) 3.104 2.374 ( -0.170 2.190 -2.193) 3.104 2.485 ( 1.785 -0.996 -0.842) 2.211 2.485 ( 1.785 0.996 -0.842) 2.211 2.552 ( 1.567 -1.096 2.168) 2.891 2.552 ( 1.567 1.096 2.168) 2.891 2.632 ( 4.162 -1.013 0.063) 4.284 2.632 ( 4.162 1.013 0.063) 4.284 2.781 ( 1.630 -1.812 2.414) 3.430 2.781 ( 1.630 1.812 2.414) 3.430 3.526 ( -0.417 -0.440 -0.060) 0.610 3.526 ( -0.417 0.440 -0.060) 0.610 3.655 ( -0.608 -2.471 -0.029) 2.545 3.655 ( -0.608 2.471 -0.029) 2.545 3.964 ( 1.740 -1.595 -0.902) 2.527 3.964 ( 1.740 1.595 -0.902) 2.527 3.999 ( 0.938 -0.535 0.878) 1.392 3.999 ( 0.938 0.535 0.878) 1.392 4.127 ( 1.825 -0.550 1.230) 2.269 4.127 ( 1.825 0.550 1.230) 2.269 4.186 ( -0.039 -0.337 -0.383) 0.512 4.186 ( -0.039 0.337 -0.383) 0.512 4.206 ( -0.683 -0.378 -2.098) 2.239 4.206 ( -0.683 0.378 -2.098) 2.239 4.288 ( 2.875 -0.598 -0.816) 3.047 4.288 ( 2.875 0.598 -0.816) 3.047 4.312 ( -1.049 -1.375 -1.907) 2.574 4.312 ( -1.049 1.375 -1.907) 2.574 4.434 ( 1.194 -1.246 2.085) 2.707 4.434 ( 1.194 1.246 2.085) 2.707 4.780 ( -1.205 -1.008 0.016) 1.571 4.780 ( -1.205 1.008 0.016) 1.571 4.822 ( -0.393 -0.546 0.239) 0.714 4.822 ( -0.393 0.546 0.239) 0.714 4.901 ( 0.114 -0.199 0.252) 0.341 4.901 ( 0.114 0.199 0.252) 0.341 4.939 ( 0.459 -0.631 -0.275) 0.828 4.939 ( 0.459 0.631 -0.275) 0.828 5.451 ( -0.542 -0.218 0.268) 0.643 5.451 ( -0.542 0.218 0.268) 0.643 5.480 ( -0.059 -0.232 -0.528) 0.579 5.480 ( -0.059 0.232 -0.528) 0.579 6.404 ( -0.030 -0.241 -0.595) 0.643 6.404 ( -0.030 0.241 -0.595) 0.643 6.431 ( 0.457 -0.305 0.560) 0.784 6.431 ( 0.457 0.305 0.560) 0.784 6.705 ( -1.372 -0.125 0.026) 1.378 6.705 ( -1.372 0.125 0.026) 1.378 6.729 ( -1.301 -0.791 0.063) 1.524 6.729 ( -1.301 0.791 0.063) 1.524 6.763 ( -0.923 -0.526 -0.151) 1.073 6.763 ( -0.923 0.526 -0.151) 1.073 6.795 ( -0.752 -0.061 -0.228) 0.788 6.795 ( -0.752 0.061 -0.228) 0.788 6.891 ( -0.095 -0.368 0.030) 0.381 6.891 ( -0.095 0.368 0.030) 0.381 6.912 ( -0.171 -0.407 -0.259) 0.512 6.912 ( -0.171 0.407 -0.259) 0.512 7.191 ( 1.141 -0.263 -0.077) 1.173 7.191 ( 1.141 0.263 -0.077) 1.173 7.217 ( 0.948 -0.320 0.269) 1.035 7.217 ( 0.948 0.320 0.269) 1.035 7.327 ( -0.237 -0.146 0.239) 0.367 7.327 ( -0.237 0.146 0.239) 0.367 7.348 ( -0.526 -0.456 -0.395) 0.800 7.348 ( -0.526 0.456 -0.395) 0.800 7.541 ( -0.491 -0.548 1.182) 1.392 7.541 ( -0.491 0.548 1.182) 1.392 7.626 ( 0.834 -0.264 -0.913) 1.265 7.626 ( 0.834 0.264 -0.913) 1.265 ======================= Grid point 79 (42/69) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.630 -7.608 -6.777) 10.208 0.517 ( -0.630 7.608 -6.777) 10.208 0.633 ( -0.787 -7.219 3.705) 8.152 0.633 ( -0.787 7.219 3.705) 8.152 0.998 ( -3.728 -3.083 1.054) 4.951 0.998 ( -3.728 3.083 1.054) 4.951 1.061 ( -4.490 -6.894 4.645) 9.448 1.061 ( -4.490 6.894 4.645) 9.448 1.174 ( -0.707 -2.017 -5.252) 5.670 1.174 ( -0.707 2.017 -5.252) 5.670 1.306 ( -0.818 -2.550 -3.348) 4.287 1.306 ( -0.818 2.550 -3.348) 4.287 1.380 ( -4.072 -3.781 1.439) 5.740 1.380 ( -4.072 3.781 1.439) 5.740 1.532 ( -0.846 -3.481 -1.356) 3.830 1.532 ( -0.846 3.481 -1.356) 3.830 1.606 ( 0.415 -3.478 2.199) 4.136 1.606 ( 0.415 3.478 2.199) 4.136 1.660 ( 2.059 -3.156 0.330) 3.783 1.660 ( 2.059 3.156 0.330) 3.783 1.748 ( 0.045 -1.146 2.177) 2.460 1.748 ( 0.045 1.146 2.177) 2.460 1.822 ( 0.317 -0.999 1.802) 2.085 1.822 ( 0.317 0.999 1.802) 2.085 1.878 ( -0.071 -4.101 -2.934) 5.043 1.878 ( -0.071 4.101 -2.934) 5.043 2.009 ( -1.237 -0.422 -0.146) 1.315 2.009 ( -1.237 0.422 -0.146) 1.315 2.161 ( 2.656 -0.408 -0.101) 2.689 2.161 ( 2.656 0.408 -0.101) 2.689 2.255 ( 0.094 -1.578 1.082) 1.916 2.255 ( 0.094 1.578 1.082) 1.916 2.357 ( 0.322 -1.315 0.570) 1.469 2.357 ( 0.322 1.315 0.570) 1.469 2.485 ( 1.123 -0.978 -1.993) 2.488 2.485 ( 1.123 0.978 -1.993) 2.488 2.571 ( 0.116 -1.586 -0.710) 1.741 2.571 ( 0.116 1.586 -0.710) 1.741 2.707 ( 3.510 -1.709 0.582) 3.947 2.707 ( 3.510 1.709 0.582) 3.947 2.819 ( 0.254 -2.445 0.331) 2.480 2.819 ( 0.254 2.445 0.331) 2.480 3.522 ( -0.311 -0.713 0.377) 0.864 3.522 ( -0.311 0.713 0.377) 0.864 3.646 ( -0.336 -2.484 -0.347) 2.531 3.646 ( -0.336 2.484 -0.347) 2.531 3.977 ( 1.391 -1.239 -1.684) 2.511 3.977 ( 1.391 1.239 -1.684) 2.511 4.021 ( 0.627 -0.314 0.748) 1.025 4.021 ( 0.627 0.314 0.748) 1.025 4.144 ( -0.949 -0.451 -0.061) 1.052 4.144 ( -0.949 0.451 -0.061) 1.052 4.186 ( 1.187 -0.489 0.281) 1.314 4.186 ( 1.187 0.489 0.281) 1.314 4.194 ( 0.261 -0.814 -0.142) 0.866 4.194 ( 0.261 0.814 -0.142) 0.866 4.272 ( 0.046 -0.871 -0.601) 1.059 4.272 ( 0.046 0.871 -0.601) 1.059 4.349 ( 2.431 -1.492 0.283) 2.866 4.349 ( 2.431 1.492 0.283) 2.866 4.457 ( 0.090 -0.248 0.372) 0.456 4.457 ( 0.090 0.248 0.372) 0.456 4.763 ( -0.724 -1.048 -0.059) 1.275 4.763 ( -0.724 1.048 -0.059) 1.275 4.816 ( -0.563 -0.813 0.055) 0.990 4.816 ( -0.563 0.813 0.055) 0.990 4.893 ( 0.085 -0.498 -1.481) 1.565 4.893 ( 0.085 0.498 -1.481) 1.565 4.955 ( 0.258 -0.517 1.713) 1.807 4.955 ( 0.258 0.517 1.713) 1.807 5.443 ( -0.400 -0.259 -0.145) 0.498 5.443 ( -0.400 0.259 -0.145) 0.498 5.476 ( 0.057 -0.324 -0.075) 0.337 5.476 ( 0.057 0.324 -0.075) 0.337 6.401 ( 0.201 -0.188 -0.107) 0.295 6.401 ( 0.201 0.188 -0.107) 0.295 6.441 ( 0.136 -0.144 0.165) 0.258 6.441 ( 0.136 0.144 0.165) 0.258 6.684 ( -1.186 -0.076 0.061) 1.190 6.684 ( -1.186 0.076 0.061) 1.190 6.707 ( -0.923 -0.348 -0.184) 1.003 6.707 ( -0.923 0.348 -0.184) 1.003 6.754 ( -0.282 -0.536 0.122) 0.618 6.754 ( -0.282 0.536 0.122) 0.618 6.783 ( -0.345 -0.302 -0.234) 0.515 6.783 ( -0.345 0.302 -0.234) 0.515 6.891 ( 0.008 -0.249 0.020) 0.250 6.891 ( 0.008 0.249 0.020) 0.250 6.908 ( -0.051 -0.388 -0.100) 0.404 6.908 ( -0.051 0.388 -0.100) 0.404 7.205 ( 0.663 -0.162 -0.054) 0.685 7.205 ( 0.663 0.162 -0.054) 0.685 7.231 ( 0.502 -0.339 -0.107) 0.615 7.231 ( 0.502 0.339 -0.107) 0.615 7.320 ( -0.042 -0.444 -1.108) 1.194 7.320 ( -0.042 0.444 -1.108) 1.194 7.342 ( -0.362 -0.088 0.697) 0.790 7.342 ( -0.362 0.088 0.697) 0.790 7.546 ( -0.576 -0.534 1.230) 1.459 7.546 ( -0.576 0.534 1.230) 1.459 7.629 ( 0.804 -0.353 -0.823) 1.204 7.629 ( 0.804 0.353 -0.823) 1.204 ======================= Grid point 90 (43/69) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -0.009 0.000 9.623) 9.623 0.566 ( -5.118 0.000 13.515) 14.451 0.723 ( -1.609 0.000 -5.342) 5.579 0.780 ( 0.130 0.000 -4.011) 4.013 0.810 ( 5.388 0.000 2.827) 6.084 0.872 ( 1.583 0.000 -7.106) 7.280 0.941 ( -1.260 0.000 13.103) 13.163 1.054 ( -0.426 0.000 -2.116) 2.158 1.083 ( 2.129 0.000 -2.554) 3.325 1.183 ( 4.057 0.000 -6.260) 7.460 1.259 ( -4.282 0.000 2.436) 4.926 1.320 ( 3.142 0.000 -2.220) 3.847 1.421 ( -3.127 0.000 1.925) 3.672 1.467 ( -0.252 0.000 2.259) 2.273 1.509 ( 5.780 0.000 -4.221) 7.157 1.539 ( -4.123 0.000 -4.337) 5.983 1.556 ( -1.289 0.000 2.591) 2.894 1.621 ( 2.220 0.000 -4.043) 4.613 1.632 ( -3.670 0.000 1.358) 3.914 1.641 ( 3.634 0.000 0.288) 3.646 1.704 ( -0.480 0.000 1.271) 1.359 1.763 ( -4.157 0.000 -3.269) 5.288 1.856 ( -0.888 0.000 2.562) 2.711 1.898 ( 1.879 0.000 -1.240) 2.251 1.924 ( -0.023 0.000 0.309) 0.310 1.941 ( -0.249 0.000 -1.205) 1.230 2.064 ( 1.510 0.000 5.581) 5.782 2.132 ( 0.267 0.000 -1.510) 1.533 2.142 ( 0.974 0.000 3.089) 3.238 2.178 ( 0.040 0.000 -0.667) 0.668 2.246 ( 2.899 0.000 6.290) 6.926 2.268 ( 2.340 0.000 0.226) 2.351 2.324 ( -4.496 0.000 -3.975) 6.001 2.373 ( 0.559 0.000 -5.898) 5.925 2.407 ( 1.420 0.000 3.477) 3.755 2.506 ( -2.171 0.000 -5.673) 6.075 2.562 ( 1.021 0.000 2.100) 2.335 2.577 ( -1.194 0.000 0.582) 1.328 2.665 ( 2.324 0.000 3.147) 3.912 2.708 ( -2.957 0.000 -0.173) 2.962 2.768 ( 0.549 0.000 0.558) 0.783 2.777 ( -1.940 0.000 -1.563) 2.492 3.536 ( 0.376 0.000 1.166) 1.225 3.545 ( -0.260 0.000 0.173) 0.312 3.608 ( -0.211 0.000 1.538) 1.552 3.648 ( 0.115 0.000 -2.178) 2.181 3.925 ( -0.612 0.000 -0.480) 0.777 3.937 ( 1.049 0.000 -1.641) 1.948 4.024 ( -0.907 0.000 0.074) 0.910 4.028 ( 1.351 0.000 -0.348) 1.395 4.127 ( -0.114 0.000 0.074) 0.136 4.137 ( 0.124 0.000 -0.542) 0.556 4.159 ( -0.799 0.000 0.284) 0.848 4.167 ( 0.376 0.000 -0.185) 0.419 4.237 ( 0.521 0.000 3.426) 3.465 4.288 ( -0.808 0.000 -0.982) 1.271 4.314 ( 2.940 0.000 2.337) 3.756 4.349 ( 0.466 0.000 -0.780) 0.909 4.359 ( -0.122 0.000 -0.616) 0.628 4.386 ( -2.532 0.000 -3.645) 4.438 4.398 ( 1.689 0.000 3.961) 4.306 4.459 ( -0.986 0.000 -2.163) 2.377 4.740 ( 0.944 0.000 -0.101) 0.950 4.743 ( -0.826 0.000 -0.371) 0.906 4.816 ( -0.339 0.000 0.534) 0.632 4.825 ( 0.218 0.000 -0.397) 0.453 4.849 ( 0.324 0.000 0.210) 0.386 4.868 ( -0.415 0.000 -1.558) 1.612 5.001 ( 0.582 0.000 1.277) 1.403 5.012 ( -0.549 0.000 0.170) 0.575 5.424 ( -0.588 0.000 0.345) 0.682 5.438 ( 0.660 0.000 -0.953) 1.160 5.479 ( -0.120 0.000 0.595) 0.607 5.488 ( 0.402 0.000 -0.309) 0.507 6.412 ( 0.709 0.000 0.354) 0.793 6.420 ( -0.823 0.000 -0.377) 0.905 6.424 ( 0.539 0.000 0.660) 0.853 6.435 ( -0.432 0.000 -0.365) 0.566 6.670 ( 0.087 0.000 0.257) 0.271 6.678 ( -0.297 0.000 -0.568) 0.641 6.691 ( 0.193 0.000 0.863) 0.884 6.707 ( -0.018 0.000 -0.574) 0.574 6.750 ( -0.079 0.000 0.660) 0.665 6.763 ( 0.039 0.000 -0.689) 0.690 6.772 ( -0.229 0.000 -0.011) 0.229 6.773 ( 0.788 0.000 -0.125) 0.798 6.893 ( -0.522 0.000 0.391) 0.652 6.899 ( 0.203 0.000 0.357) 0.411 6.900 ( 0.414 0.000 -0.248) 0.482 6.908 ( 0.046 0.000 -0.462) 0.465 7.210 ( -0.105 0.000 0.102) 0.147 7.212 ( 0.432 0.000 -0.076) 0.438 7.225 ( -0.271 0.000 -0.018) 0.271 7.227 ( -0.129 0.000 -0.184) 0.224 7.286 ( 0.511 0.000 -0.235) 0.562 7.292 ( -0.658 0.000 -0.735) 0.987 7.352 ( -0.326 0.000 0.168) 0.367 7.354 ( 0.633 0.000 0.003) 0.633 7.557 ( -1.268 0.000 1.469) 1.940 7.589 ( 1.164 0.000 -1.577) 1.959 7.601 ( -1.471 0.000 1.973) 2.461 7.634 ( 1.275 0.000 -1.233) 1.774 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 3.205 0.000 1.816) 3.684 0.696 ( 3.428 0.000 6.000) 6.911 0.727 ( 3.412 0.000 5.405) 6.392 0.791 ( 4.242 0.000 -6.557) 7.809 0.820 ( 4.509 0.000 -6.515) 7.923 0.889 ( 5.792 0.000 -2.225) 6.205 1.014 ( -1.582 0.000 -3.586) 3.920 1.042 ( -1.975 0.000 5.905) 6.226 1.115 ( 4.617 0.000 -2.424) 5.215 1.138 ( 3.976 0.000 -6.480) 7.603 1.245 ( -1.419 0.000 4.177) 4.411 1.343 ( 2.270 0.000 -3.249) 3.963 1.371 ( -4.435 0.000 0.939) 4.533 1.422 ( -6.074 0.000 2.256) 6.479 1.512 ( 3.588 0.000 0.531) 3.627 1.539 ( -5.500 0.000 -2.783) 6.164 1.539 ( -3.619 0.000 2.332) 4.305 1.566 ( 1.314 0.000 -0.127) 1.320 1.609 ( 1.486 0.000 2.759) 3.134 1.681 ( 2.272 0.000 -0.944) 2.461 1.748 ( 3.063 0.000 -0.870) 3.184 1.778 ( 2.425 0.000 3.334) 4.122 1.853 ( -2.098 0.000 1.497) 2.578 1.883 ( -0.947 0.000 -1.980) 2.195 1.945 ( 1.288 0.000 -0.019) 1.288 1.949 ( 1.135 0.000 1.187) 1.643 2.089 ( -1.674 0.000 -5.205) 5.467 2.138 ( 3.075 0.000 2.078) 3.711 2.170 ( -0.279 0.000 -0.338) 0.438 2.181 ( -3.743 0.000 -4.647) 5.967 2.191 ( 1.212 0.000 -0.927) 1.526 2.293 ( -1.964 0.000 -5.571) 5.907 2.305 ( 0.059 0.000 5.713) 5.713 2.372 ( 3.877 0.000 2.501) 4.614 2.415 ( -1.890 0.000 -4.087) 4.503 2.476 ( 0.566 0.000 5.196) 5.227 2.553 ( -1.478 0.000 -0.516) 1.566 2.580 ( -1.119 0.000 -0.321) 1.164 2.657 ( -1.686 0.000 -0.549) 1.773 2.735 ( 2.147 0.000 1.908) 2.872 2.740 ( -2.111 0.000 0.272) 2.128 2.782 ( 0.172 0.000 2.067) 2.074 3.545 ( 0.551 0.000 -0.570) 0.792 3.555 ( 0.893 0.000 0.270) 0.933 3.628 ( 0.036 0.000 2.174) 2.174 3.629 ( 0.476 0.000 -1.965) 2.022 3.906 ( -1.349 0.000 0.260) 1.374 3.934 ( 0.267 0.000 -0.750) 0.796 3.999 ( -1.780 0.000 -0.257) 1.798 4.036 ( 0.182 0.000 -0.339) 0.385 4.137 ( 0.883 0.000 0.398) 0.969 4.142 ( 0.349 0.000 -0.072) 0.356 4.159 ( 0.536 0.000 0.010) 0.536 4.177 ( 0.658 0.000 0.228) 0.696 4.247 ( -1.722 0.000 -1.924) 2.582 4.261 ( -1.537 0.000 2.318) 2.781 4.282 ( -4.189 0.000 -3.739) 5.615 4.323 ( -2.354 0.000 -0.720) 2.462 4.341 ( -1.592 0.000 0.418) 1.646 4.396 ( 2.182 0.000 2.816) 3.563 4.403 ( -1.937 0.000 -3.278) 3.808 4.461 ( 1.697 0.000 2.133) 2.725 4.734 ( 0.126 0.000 -0.256) 0.286 4.758 ( 1.070 0.000 0.110) 1.075 4.816 ( -0.294 0.000 0.462) 0.548 4.823 ( 0.120 0.000 -0.270) 0.295 4.854 ( 0.470 0.000 -0.661) 0.811 4.868 ( 0.939 0.000 0.993) 1.367 4.997 ( -0.883 0.000 -0.547) 1.038 5.018 ( 0.206 0.000 0.341) 0.399 5.422 ( -0.310 0.000 0.654) 0.724 5.441 ( 0.877 0.000 -0.708) 1.127 5.482 ( -0.021 0.000 0.232) 0.233 5.488 ( 0.287 0.000 -0.638) 0.699 6.401 ( -0.915 0.000 -0.267) 0.953 6.421 ( -0.496 0.000 -0.617) 0.792 6.428 ( 0.665 0.000 0.426) 0.790 6.439 ( 0.436 0.000 0.426) 0.610 6.678 ( 0.780 0.000 -0.196) 0.804 6.684 ( 1.042 0.000 0.568) 1.187 6.706 ( 0.940 0.000 -0.802) 1.235 6.711 ( 0.911 0.000 0.457) 1.019 6.754 ( -0.043 0.000 -0.559) 0.561 6.756 ( 0.223 0.000 0.679) 0.715 6.773 ( 0.451 0.000 -0.477) 0.657 6.784 ( 0.873 0.000 -0.257) 0.910 6.889 ( -0.488 0.000 0.365) 0.609 6.901 ( 0.145 0.000 -0.384) 0.411 6.907 ( 0.501 0.000 -0.508) 0.714 6.907 ( 0.249 0.000 0.282) 0.377 7.202 ( -0.781 0.000 -0.074) 0.784 7.207 ( -0.697 0.000 -0.285) 0.754 7.223 ( -0.416 0.000 0.472) 0.629 7.224 ( -0.352 0.000 0.049) 0.355 7.281 ( 0.012 0.000 -0.194) 0.194 7.299 ( 0.855 0.000 0.471) 0.976 7.351 ( 0.260 0.000 -0.211) 0.334 7.365 ( 0.795 0.000 -0.252) 0.834 7.552 ( -1.518 0.000 1.575) 2.187 7.588 ( 0.841 0.000 -1.416) 1.647 7.595 ( -1.777 0.000 1.739) 2.487 7.636 ( 0.826 0.000 -1.500) 1.713 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -2.935 0.000 -5.851) 6.546 0.709 ( 2.400 0.000 -8.519) 8.851 0.727 ( 5.331 0.000 -3.678) 6.477 0.833 ( 1.222 0.000 7.254) 7.356 0.946 ( 3.535 0.000 1.965) 4.044 0.967 ( 4.588 0.000 -1.026) 4.701 0.997 ( 4.157 0.000 2.681) 4.947 1.060 ( 4.179 0.000 -0.126) 4.181 1.155 ( 3.989 0.000 -4.254) 5.831 1.256 ( 10.790 0.000 0.757) 10.817 1.286 ( 0.874 0.000 2.443) 2.595 1.312 ( 1.753 0.000 -2.806) 3.308 1.323 ( -0.265 0.000 -2.831) 2.843 1.357 ( -3.665 0.000 3.238) 4.891 1.472 ( -1.841 0.000 0.427) 1.890 1.527 ( -1.023 0.000 3.587) 3.730 1.577 ( 1.733 0.000 0.271) 1.755 1.608 ( 1.137 0.000 1.005) 1.518 1.647 ( -1.569 0.000 4.167) 4.452 1.695 ( 1.155 0.000 -1.396) 1.812 1.769 ( 2.078 0.000 -1.800) 2.749 1.791 ( -3.882 0.000 2.000) 4.367 1.843 ( -0.408 0.000 -0.947) 1.031 1.874 ( 2.380 0.000 -1.067) 2.608 1.949 ( -6.055 0.000 -1.925) 6.354 1.973 ( -0.207 0.000 2.350) 2.359 1.976 ( -0.052 0.000 -1.215) 1.216 2.087 ( -0.710 0.000 -5.167) 5.216 2.128 ( -2.316 0.000 -1.849) 2.964 2.188 ( -0.954 0.000 -0.664) 1.162 2.227 ( 4.265 0.000 1.685) 4.586 2.270 ( 2.476 0.000 1.204) 2.753 2.335 ( -2.748 0.000 -4.138) 4.967 2.359 ( -1.153 0.000 4.406) 4.555 2.424 ( 0.900 0.000 -1.936) 2.135 2.494 ( -1.009 0.000 -0.707) 1.232 2.522 ( -2.254 0.000 -3.006) 3.758 2.549 ( -0.744 0.000 3.552) 3.629 2.650 ( -0.469 0.000 0.999) 1.104 2.701 ( -2.005 0.000 -1.325) 2.403 2.761 ( 0.464 0.000 -0.719) 0.856 2.835 ( 1.535 0.000 3.116) 3.473 3.549 ( 0.962 0.000 -1.139) 1.491 3.567 ( 0.712 0.000 -0.621) 0.945 3.622 ( 1.117 0.000 -1.496) 1.867 3.653 ( -0.087 0.000 2.079) 2.081 3.893 ( -1.311 0.000 1.511) 2.001 3.931 ( 0.057 0.000 0.019) 0.060 3.968 ( -1.653 0.000 0.096) 1.656 4.030 ( -0.434 0.000 -0.312) 0.535 4.137 ( -0.954 0.000 0.173) 0.970 4.150 ( -3.113 0.000 -1.687) 3.540 4.151 ( -0.444 0.000 0.612) 0.756 4.177 ( -0.601 0.000 -0.958) 1.131 4.189 ( 0.887 0.000 -0.369) 0.961 4.229 ( -1.081 0.000 -0.248) 1.109 4.238 ( -3.183 0.000 0.844) 3.293 4.273 ( -3.084 0.000 0.248) 3.094 4.306 ( -2.321 0.000 -0.723) 2.431 4.340 ( -1.217 0.000 -2.008) 2.348 4.446 ( 1.146 0.000 1.111) 1.596 4.500 ( 1.510 0.000 0.225) 1.527 4.742 ( 1.093 0.000 -0.069) 1.095 4.773 ( 0.466 0.000 0.282) 0.545 4.818 ( -0.243 0.000 0.505) 0.560 4.825 ( 0.317 0.000 0.090) 0.329 4.867 ( 1.399 0.000 0.054) 1.400 4.892 ( 0.652 0.000 0.740) 0.987 4.976 ( -0.684 0.000 -0.882) 1.117 5.013 ( -0.268 0.000 -1.044) 1.078 5.429 ( 0.003 0.000 0.992) 0.992 5.450 ( 0.966 0.000 -0.450) 1.066 5.484 ( 0.055 0.000 -0.040) 0.068 5.484 ( 0.234 0.000 -0.729) 0.766 6.385 ( -0.813 0.000 0.028) 0.814 6.408 ( -0.318 0.000 -0.483) 0.579 6.441 ( 0.377 0.000 0.106) 0.392 6.446 ( 0.168 0.000 -0.012) 0.168 6.697 ( 1.407 0.000 0.216) 1.423 6.710 ( 0.839 0.000 0.553) 1.005 6.720 ( 1.588 0.000 -0.589) 1.693 6.724 ( 0.845 0.000 0.041) 0.846 6.754 ( 0.810 0.000 -0.345) 0.881 6.774 ( 0.597 0.000 -0.688) 0.910 6.778 ( 1.392 0.000 0.521) 1.486 6.796 ( 0.800 0.000 0.042) 0.802 6.887 ( -0.367 0.000 0.451) 0.582 6.900 ( 0.337 0.000 -0.452) 0.564 6.909 ( 0.533 0.000 -0.582) 0.789 6.913 ( 0.175 0.000 0.156) 0.234 7.186 ( -1.010 0.000 -0.205) 1.030 7.190 ( -1.112 0.000 0.031) 1.113 7.215 ( -0.849 0.000 0.185) 0.869 7.218 ( -0.915 0.000 0.533) 1.059 7.286 ( 0.423 0.000 0.206) 0.470 7.321 ( 0.788 0.000 0.832) 1.146 7.356 ( 0.845 0.000 -0.505) 0.985 7.372 ( 0.644 0.000 -0.530) 0.834 7.545 ( -1.521 0.000 1.707) 2.286 7.585 ( 0.641 0.000 -1.269) 1.422 7.585 ( -1.626 0.000 1.624) 2.298 7.629 ( 0.500 0.000 -1.702) 1.774 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 1.529 0.000 -2.509) 2.938 0.741 ( 1.089 0.000 -0.789) 1.345 0.766 ( 5.280 0.000 5.227) 7.430 0.953 ( -0.308 0.000 -0.879) 0.932 0.956 ( 3.944 0.000 5.194) 6.522 1.026 ( -0.796 0.000 0.768) 1.106 1.052 ( 5.012 0.000 -2.399) 5.557 1.149 ( 2.390 0.000 -4.602) 5.185 1.184 ( 5.431 0.000 2.753) 6.089 1.269 ( 1.582 0.000 -3.426) 3.774 1.305 ( 1.051 0.000 0.595) 1.208 1.380 ( 3.694 0.000 1.882) 4.146 1.409 ( 4.601 0.000 0.752) 4.662 1.416 ( 0.277 0.000 0.095) 0.292 1.494 ( 5.716 0.000 2.553) 6.260 1.571 ( -0.335 0.000 2.230) 2.255 1.591 ( -3.096 0.000 3.199) 4.452 1.613 ( 7.072 0.000 -1.557) 7.242 1.675 ( -0.459 0.000 -1.607) 1.671 1.679 ( -2.205 0.000 4.815) 5.296 1.742 ( -2.519 0.000 0.536) 2.576 1.781 ( -2.556 0.000 -5.029) 5.641 1.791 ( -2.618 0.000 -2.503) 3.622 1.837 ( 0.795 0.000 0.351) 0.869 1.915 ( -0.702 0.000 -4.135) 4.195 1.945 ( 3.825 0.000 -0.030) 3.825 2.005 ( 0.169 0.000 2.471) 2.477 2.072 ( -1.800 0.000 -0.855) 1.993 2.079 ( -2.162 0.000 6.146) 6.515 2.205 ( 1.898 0.000 0.077) 1.899 2.228 ( -4.385 0.000 -3.036) 5.334 2.287 ( -0.083 0.000 1.246) 1.248 2.322 ( -3.556 0.000 -5.696) 6.715 2.327 ( 2.320 0.000 1.173) 2.599 2.389 ( -1.550 0.000 2.800) 3.200 2.467 ( -0.170 0.000 -2.967) 2.972 2.495 ( 0.166 0.000 -0.740) 0.758 2.560 ( -0.668 0.000 0.197) 0.696 2.628 ( -3.109 0.000 -0.517) 3.152 2.671 ( 0.948 0.000 -1.168) 1.505 2.720 ( -1.981 0.000 -5.357) 5.712 2.863 ( -0.255 0.000 -0.673) 0.719 3.549 ( 0.649 0.000 -1.082) 1.261 3.563 ( 0.054 0.000 -1.112) 1.113 3.636 ( 2.299 0.000 -0.988) 2.502 3.667 ( -0.650 0.000 1.374) 1.520 3.898 ( -0.955 0.000 2.389) 2.573 3.938 ( 0.518 0.000 0.187) 0.550 3.950 ( -1.330 0.000 0.810) 1.557 4.013 ( -1.009 0.000 -0.731) 1.246 4.090 ( -2.314 0.000 1.125) 2.573 4.128 ( -1.885 0.000 2.001) 2.749 4.132 ( -1.959 0.000 0.074) 1.961 4.173 ( -0.296 0.000 0.283) 0.409 4.179 ( -1.671 0.000 -1.319) 2.128 4.206 ( -0.511 0.000 -0.571) 0.767 4.212 ( -0.398 0.000 0.075) 0.405 4.237 ( -1.782 0.000 1.423) 2.280 4.264 ( -0.791 0.000 -1.649) 1.829 4.334 ( 0.868 0.000 0.717) 1.125 4.454 ( -0.107 0.000 -1.490) 1.493 4.516 ( 0.805 0.000 -1.031) 1.308 4.765 ( 1.586 0.000 0.054) 1.587 4.784 ( 0.274 0.000 0.679) 0.733 4.818 ( -0.397 0.000 0.386) 0.554 4.834 ( 0.183 0.000 0.611) 0.638 4.892 ( 1.251 0.000 0.207) 1.268 4.900 ( -0.220 0.000 0.012) 0.220 4.956 ( -0.363 0.000 -1.156) 1.212 4.990 ( -0.259 0.000 -1.967) 1.984 5.442 ( 0.003 0.000 1.157) 1.157 5.462 ( 0.887 0.000 -0.177) 0.905 5.481 ( 0.367 0.000 -0.673) 0.766 5.483 ( 0.014 0.000 -0.160) 0.160 6.378 ( -0.388 0.000 0.490) 0.624 6.402 ( 0.016 0.000 -0.086) 0.087 6.439 ( -0.205 0.000 -0.659) 0.691 6.446 ( -0.025 0.000 -0.302) 0.303 6.716 ( 0.169 0.000 -0.104) 0.199 6.720 ( 0.803 0.000 0.156) 0.818 6.739 ( 1.430 0.000 -0.368) 1.476 6.748 ( 0.916 0.000 0.831) 1.237 6.773 ( 1.434 0.000 0.237) 1.453 6.783 ( 1.222 0.000 -0.218) 1.242 6.798 ( 0.839 0.000 -0.192) 0.861 6.815 ( 1.128 0.000 0.304) 1.168 6.887 ( -0.301 0.000 0.575) 0.649 6.901 ( 0.429 0.000 -0.485) 0.648 6.912 ( 0.660 0.000 -0.585) 0.882 6.916 ( 0.060 0.000 0.115) 0.130 7.166 ( -0.953 0.000 -0.285) 0.994 7.172 ( -1.235 0.000 0.142) 1.243 7.202 ( -0.918 0.000 0.217) 0.944 7.207 ( -1.050 0.000 0.342) 1.104 7.299 ( 0.531 0.000 0.703) 0.881 7.339 ( 0.256 0.000 0.718) 0.762 7.365 ( 1.032 0.000 -0.792) 1.300 7.373 ( 0.324 0.000 -0.736) 0.805 7.541 ( -1.351 0.000 1.766) 2.224 7.580 ( -1.295 0.000 1.779) 2.200 7.582 ( 0.768 0.000 -1.382) 1.581 7.618 ( 0.543 0.000 -1.561) 1.653 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 6.062 0.000 8.867) 10.741 0.767 ( 0.596 0.000 2.705) 2.770 0.910 ( -2.798 0.000 -1.258) 3.068 0.931 ( 6.665 0.000 3.624) 7.587 0.984 ( -1.737 0.000 -3.390) 3.809 1.050 ( 0.043 0.000 3.743) 3.744 1.095 ( 3.877 0.000 -3.398) 5.155 1.131 ( -0.620 0.000 -2.712) 2.782 1.287 ( 4.027 0.000 2.517) 4.749 1.303 ( 4.892 0.000 -0.398) 4.908 1.331 ( 1.554 0.000 -0.845) 1.769 1.345 ( -3.261 0.000 -0.201) 3.267 1.462 ( -2.206 0.000 2.448) 3.295 1.487 ( 2.340 0.000 1.123) 2.595 1.534 ( 1.001 0.000 -2.789) 2.963 1.575 ( 1.469 0.000 0.430) 1.531 1.606 ( -2.653 0.000 4.488) 5.214 1.615 ( -2.968 0.000 -1.654) 3.398 1.651 ( -2.984 0.000 -1.516) 3.347 1.684 ( -1.581 0.000 1.875) 2.453 1.744 ( -2.067 0.000 6.122) 6.462 1.745 ( -0.271 0.000 -1.938) 1.957 1.782 ( 2.878 0.000 0.749) 2.974 1.828 ( 9.381 0.000 -5.275) 10.763 1.959 ( 1.903 0.000 -0.269) 1.922 1.964 ( -3.960 0.000 -3.509) 5.291 2.019 ( 2.226 0.000 4.126) 4.688 2.087 ( 0.396 0.000 -1.065) 1.136 2.104 ( 2.714 0.000 3.258) 4.240 2.164 ( 0.395 0.000 2.895) 2.922 2.188 ( -1.455 0.000 -6.701) 6.857 2.253 ( 1.126 0.000 2.278) 2.541 2.286 ( -3.373 0.000 2.196) 4.025 2.371 ( -4.910 0.000 0.419) 4.928 2.373 ( 2.645 0.000 0.210) 2.653 2.443 ( -3.042 0.000 -4.236) 5.215 2.452 ( 0.814 0.000 -0.490) 0.950 2.538 ( -0.537 0.000 -2.323) 2.384 2.572 ( -1.630 0.000 -1.952) 2.543 2.604 ( -1.734 0.000 -6.421) 6.651 2.688 ( 0.870 0.000 1.471) 1.709 2.818 ( -1.794 0.000 -3.608) 4.029 3.547 ( 0.433 0.000 -0.921) 1.018 3.549 ( -0.369 0.000 -0.826) 0.905 3.663 ( 2.167 0.000 -1.070) 2.417 3.663 ( -1.265 0.000 0.778) 1.486 3.911 ( -0.690 0.000 2.163) 2.271 3.940 ( -0.086 0.000 -0.014) 0.087 3.951 ( 0.330 0.000 0.630) 0.711 3.988 ( -0.434 0.000 -1.166) 1.244 4.093 ( 0.440 0.000 0.988) 1.081 4.105 ( -1.537 0.000 0.388) 1.585 4.110 ( -2.842 0.000 1.871) 3.403 4.136 ( -0.738 0.000 -1.449) 1.626 4.193 ( 1.534 0.000 2.546) 2.972 4.202 ( -0.087 0.000 -0.602) 0.608 4.203 ( -0.310 0.000 -0.132) 0.337 4.247 ( -0.242 0.000 1.566) 1.585 4.271 ( 2.249 0.000 1.518) 2.714 4.366 ( 1.107 0.000 1.886) 2.187 4.410 ( -1.461 0.000 -3.663) 3.944 4.495 ( -0.715 0.000 -3.036) 3.119 4.790 ( 1.465 0.000 -0.064) 1.466 4.795 ( -0.207 0.000 0.824) 0.850 4.816 ( -0.020 0.000 0.403) 0.404 4.839 ( -0.648 0.000 0.421) 0.773 4.892 ( -0.464 0.000 0.179) 0.498 4.909 ( 0.441 0.000 0.284) 0.525 4.939 ( 0.041 0.000 -1.279) 1.280 4.965 ( -0.170 0.000 -2.000) 2.008 5.453 ( -0.265 0.000 1.187) 1.216 5.473 ( 0.604 0.000 -0.108) 0.613 5.480 ( 0.448 0.000 -0.685) 0.819 5.481 ( -0.104 0.000 -0.153) 0.185 6.384 ( 0.122 0.000 0.935) 0.942 6.407 ( 0.366 0.000 0.381) 0.528 6.423 ( -0.432 0.000 -1.023) 1.111 6.437 ( -0.321 0.000 -0.779) 0.843 6.719 ( 0.161 0.000 0.100) 0.190 6.726 ( 0.037 0.000 -0.145) 0.150 6.756 ( 0.914 0.000 -0.073) 0.917 6.762 ( -0.159 0.000 0.449) 0.476 6.798 ( 0.861 0.000 0.566) 1.030 6.806 ( 1.243 0.000 0.201) 1.259 6.807 ( 0.369 0.000 -0.012) 0.369 6.827 ( 0.069 0.000 -0.182) 0.195 6.889 ( -0.379 0.000 0.640) 0.744 6.902 ( 0.443 0.000 -0.623) 0.765 6.917 ( -0.165 0.000 0.119) 0.203 6.918 ( 0.655 0.000 -0.411) 0.774 7.152 ( -0.280 0.000 -0.195) 0.341 7.156 ( -0.738 0.000 -0.003) 0.738 7.193 ( -0.299 0.000 0.111) 0.319 7.194 ( -0.721 0.000 0.213) 0.752 7.318 ( 0.472 0.000 1.079) 1.178 7.345 ( -0.289 0.000 0.387) 0.483 7.366 ( -0.161 0.000 -0.696) 0.714 7.370 ( 0.774 0.000 -0.931) 1.211 7.541 ( -1.123 0.000 1.742) 2.072 7.579 ( 1.017 0.000 -1.619) 1.912 7.582 ( -1.080 0.000 1.776) 2.078 7.613 ( 0.735 0.000 -1.232) 1.434 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -3.293 0.000 2.151) 3.933 0.817 ( -3.364 0.000 0.318) 3.379 0.900 ( -3.790 0.000 -1.605) 4.116 0.922 ( 4.103 0.000 3.337) 5.289 1.027 ( -1.821 0.000 -7.529) 7.746 1.040 ( 5.147 0.000 1.683) 5.415 1.063 ( -2.714 0.000 0.958) 2.878 1.108 ( 0.299 0.000 -0.331) 0.446 1.275 ( -3.907 0.000 1.228) 4.096 1.286 ( -7.271 0.000 0.665) 7.301 1.378 ( 5.572 0.000 -0.425) 5.589 1.398 ( 0.686 0.000 -4.380) 4.433 1.464 ( 2.052 0.000 1.351) 2.457 1.465 ( 2.068 0.000 1.118) 2.351 1.531 ( -6.642 0.000 4.890) 8.248 1.542 ( -5.069 0.000 -2.422) 5.618 1.595 ( 0.953 0.000 2.147) 2.349 1.602 ( 0.161 0.000 -0.305) 0.345 1.638 ( 1.175 0.000 2.909) 3.138 1.682 ( 4.586 0.000 -1.787) 4.922 1.725 ( -6.035 0.000 2.103) 6.391 1.798 ( -3.580 0.000 0.917) 3.695 1.815 ( -4.558 0.000 -2.086) 5.013 1.868 ( 3.499 0.000 3.993) 5.309 1.908 ( 4.015 0.000 1.976) 4.475 1.912 ( 2.842 0.000 -9.131) 9.564 2.087 ( 0.017 0.000 2.161) 2.161 2.111 ( -1.123 0.000 -4.715) 4.847 2.156 ( -1.685 0.000 -5.050) 5.323 2.166 ( 0.795 0.000 -1.173) 1.417 2.218 ( -0.608 0.000 -2.445) 2.519 2.222 ( 6.238 0.000 7.627) 9.854 2.278 ( -1.883 0.000 0.084) 1.885 2.339 ( 5.573 0.000 1.137) 5.687 2.367 ( -2.638 0.000 -0.082) 2.640 2.429 ( 3.981 0.000 0.053) 3.981 2.481 ( 1.056 0.000 2.329) 2.557 2.486 ( -1.456 0.000 -3.170) 3.488 2.535 ( -1.168 0.000 0.458) 1.255 2.550 ( -0.564 0.000 -1.335) 1.449 2.737 ( 1.604 0.000 3.593) 3.934 2.746 ( -1.407 0.000 -3.633) 3.896 3.536 ( -0.531 0.000 -0.027) 0.531 3.544 ( 0.162 0.000 -0.412) 0.443 3.645 ( -1.832 0.000 0.557) 1.915 3.682 ( 1.624 0.000 -0.990) 1.902 3.922 ( -0.233 0.000 1.257) 1.279 3.948 ( 1.211 0.000 -0.607) 1.354 3.964 ( 0.619 0.000 0.419) 0.747 3.977 ( 0.766 0.000 -1.320) 1.527 4.089 ( -0.761 0.000 0.745) 1.065 4.095 ( -0.876 0.000 1.543) 1.774 4.121 ( 2.371 0.000 -0.049) 2.371 4.143 ( 3.138 0.000 -1.265) 3.384 4.196 ( -0.017 0.000 -0.119) 0.120 4.199 ( 0.236 0.000 -0.118) 0.264 4.240 ( -1.500 0.000 -0.899) 1.749 4.257 ( 1.922 0.000 1.185) 2.258 4.333 ( 1.703 0.000 3.255) 3.673 4.335 ( -2.099 0.000 -4.065) 4.575 4.420 ( 1.566 0.000 3.838) 4.145 4.428 ( -2.055 0.000 -4.171) 4.650 4.788 ( -1.188 0.000 0.211) 1.207 4.807 ( 0.542 0.000 -0.258) 0.600 4.824 ( -0.656 0.000 -0.270) 0.710 4.832 ( 0.758 0.000 0.883) 1.164 4.899 ( 0.098 0.000 1.386) 1.390 4.906 ( -0.341 0.000 -0.675) 0.756 4.938 ( 0.493 0.000 0.233) 0.545 4.938 ( -0.545 0.000 -1.635) 1.723 5.460 ( -0.472 0.000 1.098) 1.195 5.475 ( -0.393 0.000 -0.162) 0.425 5.477 ( 0.421 0.000 -1.009) 1.093 5.480 ( 0.157 0.000 -0.056) 0.167 6.401 ( 0.466 0.000 1.119) 1.213 6.405 ( -0.310 0.000 -1.050) 1.095 6.421 ( -0.395 0.000 -0.913) 0.995 6.421 ( 0.515 0.000 0.681) 0.854 6.721 ( -0.355 0.000 -0.100) 0.368 6.722 ( -0.071 0.000 0.200) 0.212 6.755 ( -0.996 0.000 0.086) 1.000 6.766 ( 0.287 0.000 0.019) 0.287 6.806 ( -0.557 0.000 -0.182) 0.586 6.809 ( -0.038 0.000 0.025) 0.046 6.812 ( -1.298 0.000 -0.460) 1.377 6.819 ( -0.129 0.000 0.500) 0.517 6.889 ( -0.386 0.000 0.627) 0.736 6.902 ( 0.347 0.000 -0.641) 0.729 6.913 ( -0.467 0.000 0.058) 0.471 6.922 ( 0.297 0.000 -0.318) 0.436 7.151 ( 0.289 0.000 -0.059) 0.295 7.155 ( 0.774 0.000 -0.012) 0.774 7.192 ( 0.188 0.000 0.225) 0.293 7.197 ( 0.634 0.000 0.006) 0.634 7.335 ( 0.148 0.000 1.091) 1.101 7.338 ( -0.459 0.000 -0.528) 0.700 7.355 ( -0.701 0.000 0.123) 0.712 7.369 ( 0.303 0.000 -0.762) 0.820 7.544 ( -0.908 0.000 1.708) 1.935 7.579 ( 1.327 0.000 -1.844) 2.272 7.583 ( -1.107 0.000 1.653) 1.989 7.612 ( 0.799 0.000 -1.161) 1.409 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -9.928 0.000 -5.661) 11.428 0.741 ( -6.539 0.000 1.143) 6.638 0.873 ( -2.902 0.000 2.264) 3.681 0.916 ( -3.296 0.000 -4.223) 5.357 0.954 ( 1.022 0.000 -2.410) 2.618 1.041 ( 0.715 0.000 -1.659) 1.807 1.071 ( -4.636 0.000 1.999) 5.049 1.144 ( 4.601 0.000 -2.364) 5.173 1.203 ( -3.576 0.000 2.076) 4.135 1.245 ( -3.657 0.000 -0.884) 3.762 1.309 ( -0.259 0.000 -2.008) 2.025 1.396 ( -8.216 0.000 3.321) 8.862 1.417 ( -8.482 0.000 -0.072) 8.482 1.422 ( -4.002 0.000 -1.080) 4.145 1.486 ( -4.324 0.000 1.795) 4.682 1.561 ( 1.485 0.000 1.139) 1.871 1.604 ( 2.868 0.000 0.518) 2.914 1.655 ( 2.176 0.000 -0.021) 2.176 1.657 ( -0.206 0.000 -0.610) 0.644 1.712 ( 1.049 0.000 1.445) 1.786 1.713 ( 0.601 0.000 2.903) 2.965 1.752 ( 2.565 0.000 -2.290) 3.438 1.776 ( 2.612 0.000 2.681) 3.743 1.846 ( 0.937 0.000 -6.772) 6.836 1.913 ( -5.022 0.000 -3.091) 5.897 1.987 ( 2.792 0.000 2.954) 4.065 2.009 ( -3.956 0.000 -4.285) 5.832 2.109 ( 2.646 0.000 1.094) 2.863 2.125 ( 0.818 0.000 -3.542) 3.635 2.151 ( 1.790 0.000 6.433) 6.678 2.210 ( 0.867 0.000 -3.363) 3.473 2.269 ( 0.837 0.000 -2.380) 2.523 2.352 ( 0.280 0.000 -0.954) 0.994 2.356 ( 1.337 0.000 -2.411) 2.756 2.416 ( 2.221 0.000 2.528) 3.365 2.436 ( -1.239 0.000 -0.780) 1.464 2.469 ( 2.104 0.000 -0.249) 2.119 2.537 ( 2.889 0.000 2.467) 3.799 2.563 ( 1.125 0.000 3.619) 3.790 2.596 ( 3.750 0.000 5.570) 6.715 2.697 ( -0.398 0.000 -2.490) 2.521 2.810 ( 1.613 0.000 3.895) 4.216 3.530 ( -0.699 0.000 0.645) 0.951 3.544 ( -0.103 0.000 0.464) 0.475 3.619 ( -2.005 0.000 0.570) 2.084 3.693 ( 1.152 0.000 -1.122) 1.608 3.932 ( 0.271 0.000 0.378) 0.465 3.954 ( 1.728 0.000 -2.615) 3.134 3.980 ( 1.403 0.000 -1.459) 2.024 3.989 ( 0.949 0.000 1.504) 1.778 4.105 ( 1.617 0.000 0.715) 1.768 4.120 ( 1.538 0.000 1.563) 2.193 4.163 ( 2.311 0.000 -0.052) 2.312 4.179 ( 2.069 0.000 -2.502) 3.247 4.192 ( -0.978 0.000 -1.923) 2.158 4.201 ( 0.425 0.000 0.394) 0.579 4.210 ( 0.719 0.000 -0.063) 0.722 4.259 ( -1.124 0.000 -2.441) 2.688 4.270 ( 1.002 0.000 -1.212) 1.573 4.358 ( -1.984 0.000 -1.961) 2.790 4.402 ( 1.609 0.000 3.328) 3.696 4.480 ( 0.717 0.000 2.569) 2.667 4.767 ( -1.305 0.000 -0.139) 1.312 4.797 ( -0.772 0.000 -0.336) 0.843 4.824 ( 0.536 0.000 -0.302) 0.615 4.844 ( -0.318 0.000 -0.037) 0.320 4.902 ( 0.585 0.000 -0.115) 0.596 4.905 ( -0.636 0.000 -1.127) 1.294 4.925 ( -0.022 0.000 1.614) 1.614 4.952 ( 0.133 0.000 1.312) 1.318 5.462 ( -0.540 0.000 0.142) 0.558 5.465 ( -0.697 0.000 0.591) 0.914 5.468 ( 0.081 0.000 -1.236) 1.239 5.481 ( 0.059 0.000 -0.024) 0.064 6.392 ( 0.024 0.000 -0.797) 0.797 6.407 ( -0.192 0.000 -0.582) 0.612 6.422 ( 0.492 0.000 0.985) 1.101 6.436 ( 0.319 0.000 0.614) 0.692 6.714 ( -0.520 0.000 0.117) 0.533 6.720 ( -0.511 0.000 0.159) 0.535 6.734 ( -1.604 0.000 0.086) 1.607 6.763 ( -0.603 0.000 -0.394) 0.720 6.778 ( -2.128 0.000 -0.125) 2.131 6.789 ( -0.945 0.000 -0.787) 1.230 6.798 ( -0.853 0.000 -0.226) 0.882 6.814 ( -0.980 0.000 0.397) 1.058 6.891 ( -0.281 0.000 0.586) 0.650 6.899 ( 0.155 0.000 -0.560) 0.581 6.905 ( -0.539 0.000 0.059) 0.543 6.920 ( -0.007 0.000 -0.272) 0.273 7.163 ( 1.074 0.000 0.024) 1.074 7.174 ( 1.316 0.000 -0.005) 1.316 7.204 ( 0.925 0.000 0.098) 0.930 7.211 ( 1.041 0.000 -0.089) 1.045 7.320 ( -0.482 0.000 -1.221) 1.313 7.345 ( -0.179 0.000 0.664) 0.688 7.348 ( -0.797 0.000 0.753) 1.097 7.363 ( -0.299 0.000 -0.309) 0.430 7.549 ( -0.745 0.000 1.675) 1.833 7.581 ( 1.547 0.000 -1.989) 2.519 7.584 ( -1.066 0.000 1.706) 2.012 7.612 ( 0.919 0.000 -1.250) 1.552 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -9.182 0.000 5.593) 10.751 0.626 ( -11.818 0.000 5.488) 13.030 0.766 ( -4.690 0.000 -6.760) 8.227 0.875 ( -4.432 0.000 5.573) 7.121 0.935 ( 2.283 0.000 -4.998) 5.494 1.026 ( -0.926 0.000 -3.858) 3.967 1.042 ( -2.398 0.000 3.187) 3.988 1.101 ( -7.760 0.000 -3.299) 8.432 1.157 ( 4.016 0.000 -7.481) 8.490 1.168 ( -11.868 0.000 9.035) 14.916 1.271 ( -3.253 0.000 1.439) 3.557 1.310 ( -0.733 0.000 0.117) 0.742 1.312 ( -1.178 0.000 -0.179) 1.191 1.411 ( 4.509 0.000 -2.506) 5.159 1.483 ( 1.056 0.000 -0.815) 1.333 1.563 ( -1.368 0.000 0.407) 1.427 1.614 ( 0.450 0.000 -2.875) 2.910 1.638 ( -2.141 0.000 0.726) 2.261 1.676 ( 2.310 0.000 0.592) 2.384 1.723 ( 0.310 0.000 -4.764) 4.774 1.759 ( -3.304 0.000 -0.848) 3.411 1.814 ( 5.508 0.000 -0.053) 5.508 1.827 ( 0.961 0.000 2.763) 2.925 1.838 ( 2.459 0.000 -0.969) 2.643 1.862 ( -0.605 0.000 5.089) 5.125 1.940 ( 1.050 0.000 1.135) 1.546 2.018 ( -0.226 0.000 -0.914) 0.941 2.101 ( -4.682 0.000 -3.038) 5.581 2.111 ( 2.125 0.000 -1.349) 2.517 2.179 ( -1.185 0.000 0.558) 1.309 2.253 ( -1.980 0.000 2.083) 2.874 2.285 ( 3.775 0.000 -0.343) 3.791 2.319 ( -0.093 0.000 3.111) 3.112 2.322 ( -0.831 0.000 -3.593) 3.688 2.440 ( 2.089 0.000 -2.599) 3.335 2.458 ( 2.430 0.000 2.393) 3.411 2.497 ( 0.811 0.000 -0.368) 0.890 2.596 ( 2.463 0.000 -0.426) 2.499 2.633 ( 0.346 0.000 3.303) 3.321 2.682 ( 1.947 0.000 -0.745) 2.084 2.712 ( 1.963 0.000 3.890) 4.357 2.857 ( 0.263 0.000 1.171) 1.201 3.525 ( -1.134 0.000 0.978) 1.497 3.548 ( -0.469 0.000 0.935) 1.046 3.599 ( -1.161 0.000 0.755) 1.385 3.691 ( 0.499 0.000 -1.669) 1.742 3.938 ( 0.390 0.000 -0.473) 0.613 3.948 ( 1.796 0.000 -3.414) 3.857 3.988 ( 1.614 0.000 -1.357) 2.108 4.018 ( 0.515 0.000 1.080) 1.196 4.141 ( 2.403 0.000 -1.172) 2.673 4.145 ( -1.051 0.000 -1.258) 1.639 4.162 ( 0.659 0.000 1.420) 1.566 4.178 ( 0.625 0.000 -1.401) 1.534 4.180 ( 0.019 0.000 -0.246) 0.246 4.209 ( 0.821 0.000 1.345) 1.576 4.221 ( 1.444 0.000 1.324) 1.959 4.288 ( 2.634 0.000 0.329) 2.655 4.300 ( 3.772 0.000 -0.435) 3.797 4.323 ( -0.375 0.000 0.031) 0.376 4.446 ( 0.493 0.000 1.163) 1.263 4.494 ( -0.851 0.000 0.508) 0.991 4.745 ( -0.895 0.000 -0.361) 0.965 4.781 ( -0.723 0.000 -0.332) 0.796 4.827 ( 0.279 0.000 -0.402) 0.490 4.829 ( -0.899 0.000 -0.217) 0.925 4.878 ( -0.938 0.000 -1.101) 1.447 4.906 ( 0.097 0.000 -0.687) 0.694 4.949 ( 0.322 0.000 1.782) 1.811 4.977 ( 0.446 0.000 2.253) 2.297 5.447 ( -0.874 0.000 -0.179) 0.892 5.454 ( 0.027 0.000 -1.291) 1.291 5.467 ( -0.365 0.000 0.934) 1.003 5.482 ( 0.005 0.000 0.078) 0.078 6.389 ( 0.466 0.000 -0.310) 0.560 6.403 ( 0.125 0.000 -0.037) 0.130 6.436 ( 0.177 0.000 0.524) 0.553 6.442 ( -0.127 0.000 0.290) 0.317 6.703 ( -1.489 0.000 -0.324) 1.524 6.709 ( -1.725 0.000 0.450) 1.783 6.709 ( -0.356 0.000 0.412) 0.545 6.737 ( -1.456 0.000 -0.925) 1.725 6.749 ( -1.205 0.000 0.200) 1.222 6.767 ( -0.772 0.000 -0.184) 0.794 6.783 ( -0.876 0.000 -0.056) 0.878 6.799 ( -0.955 0.000 -0.104) 0.961 6.892 ( -0.231 0.000 0.415) 0.475 6.896 ( 0.200 0.000 -0.420) 0.466 6.899 ( -0.423 0.000 0.286) 0.511 6.917 ( -0.079 0.000 -0.222) 0.235 7.183 ( 1.206 0.000 0.048) 1.207 7.193 ( 1.068 0.000 -0.146) 1.078 7.219 ( 0.888 0.000 -0.164) 0.903 7.225 ( 0.769 0.000 -0.161) 0.786 7.300 ( -0.275 0.000 -1.122) 1.155 7.340 ( -0.540 0.000 -0.777) 0.946 7.345 ( -0.493 0.000 0.586) 0.765 7.357 ( -0.677 0.000 0.827) 1.069 7.556 ( -0.746 0.000 1.539) 1.710 7.584 ( 1.580 0.000 -2.007) 2.554 7.589 ( -0.899 0.000 2.022) 2.213 7.616 ( 1.243 0.000 -1.219) 1.741 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -3.659 0.000 16.383) 16.787 0.522 ( -9.883 0.000 9.847) 13.951 0.653 ( -5.279 0.000 7.264) 8.979 0.863 ( -4.843 0.000 3.911) 6.225 0.898 ( -6.006 0.000 -3.607) 7.006 0.906 ( -4.763 0.000 -4.346) 6.448 0.921 ( 1.066 0.000 -8.252) 8.320 1.066 ( -0.563 0.000 1.854) 1.938 1.101 ( -2.362 0.000 0.265) 2.377 1.158 ( 5.883 0.000 -6.315) 8.630 1.278 ( -0.255 0.000 2.452) 2.466 1.303 ( 0.942 0.000 -0.956) 1.342 1.371 ( 5.530 0.000 0.435) 5.547 1.447 ( 0.562 0.000 -1.010) 1.156 1.494 ( 0.776 0.000 1.723) 1.890 1.565 ( 3.257 0.000 -0.944) 3.391 1.569 ( -1.659 0.000 -3.748) 4.099 1.616 ( -0.418 0.000 -0.460) 0.622 1.662 ( -2.247 0.000 0.538) 2.311 1.664 ( -1.533 0.000 -4.629) 4.876 1.752 ( -0.311 0.000 -1.116) 1.158 1.824 ( -1.149 0.000 2.995) 3.208 1.848 ( 0.378 0.000 -2.661) 2.688 1.875 ( 2.285 0.000 -0.675) 2.382 1.943 ( 1.369 0.000 5.344) 5.516 1.975 ( -2.089 0.000 -1.863) 2.799 1.984 ( -2.976 0.000 -1.200) 3.209 2.058 ( 3.440 0.000 7.177) 7.959 2.143 ( 0.256 0.000 0.813) 0.852 2.165 ( -1.599 0.000 2.213) 2.731 2.185 ( -1.278 0.000 -1.902) 2.291 2.268 ( -0.224 0.000 -2.380) 2.390 2.350 ( 2.489 0.000 1.539) 2.926 2.378 ( -1.217 0.000 3.211) 3.434 2.424 ( 0.935 0.000 -5.031) 5.117 2.510 ( 1.614 0.000 0.632) 1.733 2.540 ( 2.942 0.000 3.245) 4.380 2.593 ( -0.059 0.000 -4.012) 4.012 2.633 ( -1.385 0.000 1.115) 1.778 2.736 ( 2.421 0.000 1.061) 2.643 2.739 ( -1.407 0.000 1.202) 1.851 2.835 ( -1.661 0.000 -2.550) 3.044 3.522 ( -0.614 0.000 1.416) 1.544 3.548 ( -0.654 0.000 0.716) 0.970 3.599 ( -0.388 0.000 1.116) 1.181 3.672 ( -0.107 0.000 -2.028) 2.030 3.935 ( 0.184 0.000 -0.785) 0.806 3.939 ( 1.626 0.000 -2.838) 3.271 4.005 ( 1.948 0.000 -0.753) 2.088 4.028 ( -0.194 0.000 0.510) 0.545 4.132 ( -0.479 0.000 0.405) 0.627 4.154 ( -1.258 0.000 -0.324) 1.299 4.169 ( 0.332 0.000 -0.212) 0.394 4.173 ( -0.374 0.000 -0.487) 0.614 4.181 ( 1.070 0.000 2.052) 2.314 4.255 ( 2.423 0.000 0.811) 2.555 4.272 ( 1.846 0.000 1.573) 2.425 4.328 ( 1.139 0.000 3.464) 3.646 4.348 ( 3.294 0.000 -2.951) 4.422 4.349 ( 1.901 0.000 -0.090) 1.903 4.441 ( -0.962 0.000 -1.307) 1.622 4.482 ( -0.669 0.000 0.040) 0.670 4.734 ( 0.063 0.000 -0.319) 0.325 4.764 ( -0.994 0.000 -0.342) 1.051 4.817 ( -0.584 0.000 0.361) 0.687 4.826 ( 0.196 0.000 -0.446) 0.488 4.854 ( -0.527 0.000 -0.751) 0.917 4.892 ( -0.359 0.000 -1.284) 1.334 4.975 ( 0.545 0.000 1.629) 1.718 5.006 ( 0.273 0.000 1.429) 1.455 5.433 ( -0.774 0.000 0.079) 0.778 5.442 ( 0.324 0.000 -1.189) 1.232 5.473 ( -0.201 0.000 0.854) 0.878 5.484 ( 0.185 0.000 0.050) 0.191 6.398 ( 0.711 0.000 0.076) 0.715 6.410 ( 0.396 0.000 0.459) 0.607 6.435 ( -0.538 0.000 -0.212) 0.578 6.442 ( -0.222 0.000 0.118) 0.251 6.677 ( -1.094 0.000 -0.093) 1.098 6.690 ( -1.135 0.000 0.665) 1.316 6.699 ( -1.131 0.000 -0.749) 1.356 6.713 ( -0.361 0.000 0.109) 0.378 6.743 ( -0.126 0.000 0.527) 0.542 6.763 ( 0.027 0.000 0.440) 0.441 6.769 ( -0.329 0.000 -0.435) 0.546 6.783 ( -0.784 0.000 -0.211) 0.811 6.894 ( -0.037 0.000 0.336) 0.338 6.896 ( 0.344 0.000 -0.304) 0.459 6.896 ( -0.390 0.000 0.401) 0.559 6.913 ( -0.068 0.000 -0.275) 0.284 7.201 ( 0.928 0.000 0.019) 0.928 7.205 ( 0.589 0.000 -0.065) 0.592 7.227 ( 0.319 0.000 -0.231) 0.394 7.231 ( 0.154 0.000 -0.216) 0.266 7.287 ( 0.114 0.000 -0.776) 0.784 7.316 ( -0.895 0.000 -1.062) 1.389 7.346 ( 0.090 0.000 0.269) 0.283 7.355 ( -0.599 0.000 0.638) 0.875 7.559 ( -0.935 0.000 1.445) 1.721 7.587 ( 1.432 0.000 -1.821) 2.317 7.598 ( -1.034 0.000 2.154) 2.389 7.625 ( 1.461 0.000 -1.142) 1.854 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.748 3.457 12.952) 13.426 0.648 ( -2.972 5.793 11.254) 13.002 0.742 ( -2.775 1.014 -2.848) 4.104 0.769 ( 4.306 -3.854 0.996) 5.864 0.802 ( -1.234 3.892 -3.656) 5.480 0.908 ( 1.729 3.178 -7.051) 7.925 0.948 ( 0.579 -0.707 6.271) 6.337 1.042 ( -1.469 -1.456 -4.310) 4.780 1.074 ( 2.499 -2.098 -3.260) 4.613 1.143 ( 3.971 -4.179 -6.829) 8.936 1.248 ( -2.658 -0.097 3.998) 4.802 1.296 ( 1.336 -2.244 -0.791) 2.729 1.378 ( -0.190 -2.049 2.539) 3.268 1.434 ( -0.685 -4.035 -2.027) 4.567 1.504 ( -2.622 1.282 2.069) 3.578 1.542 ( 0.104 0.888 3.959) 4.058 1.593 ( -1.806 3.044 -2.200) 4.168 1.637 ( 1.217 0.399 0.681) 1.451 1.647 ( 2.887 1.538 -2.162) 3.921 1.673 ( -0.585 1.326 -1.531) 2.108 1.738 ( -1.881 3.499 -1.758) 4.344 1.747 ( -0.950 -1.047 -2.165) 2.586 1.851 ( -0.977 -0.665 2.689) 2.938 1.873 ( 0.750 -1.426 1.576) 2.254 1.914 ( 1.773 -0.483 0.486) 1.901 1.950 ( 0.133 -1.703 -2.606) 3.116 2.039 ( 0.933 -1.110 4.579) 4.803 2.089 ( 0.830 -2.873 -0.525) 3.036 2.163 ( 0.916 2.062 2.305) 3.226 2.191 ( -1.431 1.042 -0.269) 1.790 2.241 ( -0.325 -1.131 3.139) 3.352 2.259 ( 2.962 -1.128 0.086) 3.170 2.352 ( -2.358 2.773 -1.305) 3.867 2.389 ( 1.125 1.492 -4.519) 4.890 2.416 ( 1.116 0.527 1.512) 1.952 2.476 ( -1.141 -2.800 -2.935) 4.213 2.553 ( 1.117 0.190 1.984) 2.285 2.594 ( -1.967 -0.549 -1.210) 2.374 2.683 ( 1.402 2.504 1.200) 3.111 2.717 ( -1.852 1.029 -0.886) 2.296 2.756 ( -0.890 -0.471 1.338) 1.675 2.787 ( -0.475 -0.056 -1.385) 1.466 3.540 ( 0.162 0.410 1.171) 1.251 3.548 ( -0.143 0.222 0.436) 0.510 3.608 ( -0.127 0.108 0.761) 0.779 3.637 ( 0.064 -1.039 -1.824) 2.101 3.929 ( -0.262 0.363 -0.626) 0.770 3.937 ( 0.610 -0.001 -1.453) 1.576 4.029 ( -0.966 0.676 0.394) 1.243 4.039 ( 1.212 0.733 -0.476) 1.494 4.121 ( -0.195 -0.446 -0.073) 0.492 4.131 ( 0.574 -0.596 -0.824) 1.167 4.165 ( -0.782 0.504 0.413) 1.018 4.172 ( -0.070 0.304 -0.091) 0.325 4.243 ( 0.549 0.666 2.485) 2.631 4.276 ( -0.058 -0.899 -0.551) 1.055 4.323 ( 2.367 0.653 2.130) 3.250 4.344 ( 0.804 -0.382 0.320) 0.946 4.359 ( -0.463 -0.107 -0.897) 1.015 4.368 ( 0.097 -1.096 0.345) 1.153 4.413 ( -0.687 0.899 -0.192) 1.147 4.448 ( -1.052 -1.023 -1.719) 2.260 4.743 ( -0.039 0.397 0.139) 0.423 4.751 ( 0.157 0.473 -0.644) 0.814 4.809 ( -0.565 -0.455 0.643) 0.970 4.821 ( 0.425 -0.529 -0.481) 0.832 4.850 ( 0.141 0.229 -0.040) 0.272 4.863 ( -0.257 -0.375 -1.158) 1.244 5.002 ( 0.396 0.066 1.080) 1.152 5.009 ( -0.405 -0.282 0.343) 0.601 5.426 ( -0.434 0.191 0.201) 0.515 5.436 ( 0.432 -0.232 -0.695) 0.851 5.480 ( -0.017 0.106 0.409) 0.422 5.486 ( 0.321 -0.172 -0.187) 0.410 6.413 ( 0.584 0.064 0.318) 0.668 6.417 ( -0.100 -0.163 0.034) 0.194 6.428 ( -0.097 0.290 0.176) 0.353 6.435 ( -0.389 -0.042 -0.329) 0.512 6.673 ( 0.044 0.309 0.226) 0.385 6.680 ( -0.077 0.115 -0.346) 0.372 6.690 ( 0.056 -0.171 0.456) 0.490 6.700 ( -0.013 -0.612 -0.451) 0.760 6.754 ( -0.202 0.374 0.532) 0.681 6.763 ( 0.392 -0.042 -0.296) 0.493 6.773 ( -0.416 0.270 0.028) 0.497 6.777 ( 0.599 0.210 -0.244) 0.680 6.894 ( -0.377 0.083 0.376) 0.539 6.898 ( 0.094 -0.088 0.328) 0.353 6.901 ( 0.338 0.091 -0.267) 0.440 6.907 ( 0.105 -0.164 -0.416) 0.459 7.210 ( 0.102 0.072 0.152) 0.197 7.214 ( 0.172 0.153 -0.073) 0.242 7.221 ( -0.151 -0.304 -0.056) 0.344 7.226 ( -0.215 -0.215 -0.320) 0.441 7.286 ( 0.345 -0.023 -0.331) 0.479 7.290 ( -0.424 -0.193 -0.674) 0.820 7.353 ( -0.167 0.132 0.192) 0.287 7.355 ( 0.428 0.091 0.041) 0.439 7.563 ( -1.236 0.588 1.477) 2.014 7.588 ( -0.176 -0.311 0.207) 0.413 7.602 ( -0.085 0.344 0.166) 0.392 7.628 ( 1.207 -0.619 -1.217) 1.823 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 2.256 2.882 -5.470) 6.581 0.729 ( 2.227 1.683 4.827) 5.576 0.738 ( 2.885 3.467 7.974) 9.161 0.814 ( -0.839 2.029 0.305) 2.217 0.841 ( 3.939 1.055 -11.175) 11.896 0.868 ( 8.669 -1.517 -0.839) 8.840 0.982 ( -1.551 -3.132 2.544) 4.323 0.991 ( -2.079 -3.753 -0.202) 4.295 1.049 ( 3.463 -3.367 -2.888) 5.627 1.156 ( 4.274 -2.534 -2.022) 5.365 1.282 ( 2.327 2.812 0.875) 3.754 1.327 ( 1.577 -1.253 -1.282) 2.388 1.372 ( -3.463 -0.076 0.796) 3.554 1.415 ( 0.677 -4.337 1.409) 4.610 1.467 ( -3.039 4.104 1.404) 5.296 1.544 ( -3.736 -1.044 4.036) 5.598 1.563 ( -0.926 2.963 -2.383) 3.913 1.595 ( -1.808 0.390 1.153) 2.180 1.673 ( -0.250 5.137 -1.807) 5.452 1.690 ( 3.915 1.951 -1.195) 4.535 1.747 ( 1.464 -2.096 3.161) 4.065 1.759 ( 1.985 -0.026 0.059) 1.986 1.855 ( -1.202 0.371 0.399) 1.320 1.884 ( -0.050 -1.074 -0.320) 1.121 1.914 ( 1.071 -2.007 -1.953) 2.999 1.963 ( 1.474 -1.519 0.227) 2.129 2.046 ( -2.795 -1.262 -3.535) 4.680 2.097 ( 2.320 -1.432 -0.112) 2.729 2.172 ( -0.309 -0.082 0.756) 0.821 2.199 ( -0.253 1.170 -0.338) 1.244 2.219 ( -0.575 0.134 -1.998) 2.083 2.282 ( -0.005 -1.415 -3.446) 3.725 2.321 ( -1.300 2.133 3.334) 4.166 2.388 ( -0.979 0.257 -0.019) 1.012 2.413 ( 1.212 0.828 -1.531) 2.120 2.470 ( 1.187 -0.757 2.304) 2.700 2.543 ( -2.029 0.200 -1.544) 2.558 2.602 ( 1.162 -0.703 2.904) 3.206 2.658 ( -3.178 2.058 -1.157) 3.959 2.731 ( 0.400 -0.525 1.814) 1.930 2.745 ( -0.920 0.517 0.763) 1.302 2.781 ( 0.042 -0.401 1.132) 1.201 3.549 ( 0.421 0.407 -0.301) 0.659 3.558 ( 0.781 0.208 0.114) 0.816 3.622 ( 0.245 -0.519 0.653) 0.869 3.624 ( 0.480 -0.485 -0.477) 0.833 3.915 ( -1.016 0.705 0.127) 1.243 3.931 ( -0.044 -0.282 -0.486) 0.563 4.006 ( -1.924 0.824 0.144) 2.098 4.040 ( -0.289 0.035 -0.466) 0.549 4.131 ( 1.229 -0.235 0.083) 1.254 4.143 ( 1.347 -0.262 -0.538) 1.474 4.160 ( -0.353 0.353 0.586) 0.770 4.178 ( 0.096 -0.129 0.629) 0.649 4.248 ( -1.415 0.215 -1.456) 2.042 4.256 ( -1.278 -0.250 0.659) 1.460 4.293 ( -3.903 0.915 -2.866) 4.928 4.322 ( -2.514 -0.142 -0.940) 2.688 4.341 ( -1.552 0.047 0.291) 1.580 4.369 ( -0.767 -1.640 -1.006) 2.071 4.424 ( 1.003 1.023 0.708) 1.598 4.454 ( 1.783 -0.685 1.970) 2.744 4.740 ( 0.139 0.697 -0.048) 0.712 4.764 ( 1.309 0.293 -0.099) 1.345 4.808 ( -0.360 -0.417 0.647) 0.850 4.822 ( 0.356 -0.301 -0.433) 0.636 4.853 ( 0.346 -0.010 -0.362) 0.501 4.863 ( 0.662 -0.443 0.707) 1.065 4.999 ( -0.677 0.232 -0.366) 0.804 5.014 ( 0.097 -0.379 0.225) 0.451 5.425 ( -0.157 0.278 0.496) 0.589 5.438 ( 0.671 -0.305 -0.447) 0.862 5.483 ( 0.058 0.060 0.062) 0.104 5.487 ( 0.263 -0.120 -0.521) 0.595 6.403 ( -0.840 0.206 -0.285) 0.911 6.416 ( -0.412 -0.404 -0.389) 0.696 6.433 ( 0.467 0.311 0.259) 0.618 6.439 ( 0.441 -0.017 0.388) 0.587 6.682 ( 0.864 0.346 -0.149) 0.942 6.686 ( 1.027 0.191 0.293) 1.085 6.701 ( 0.906 -0.419 -0.321) 1.048 6.706 ( 1.014 -0.430 0.183) 1.116 6.758 ( 0.328 0.365 0.295) 0.572 6.764 ( 0.080 0.715 -0.348) 0.799 6.771 ( 0.353 -0.186 -0.105) 0.412 6.784 ( 0.603 -0.092 -0.342) 0.699 6.891 ( -0.378 0.246 0.312) 0.549 6.902 ( 0.197 0.070 -0.367) 0.422 6.904 ( 0.146 -0.292 0.249) 0.411 6.906 ( 0.454 -0.098 -0.461) 0.654 7.203 ( -0.766 0.150 -0.169) 0.799 7.209 ( -0.664 0.156 -0.134) 0.695 7.219 ( -0.419 -0.395 0.067) 0.579 7.221 ( -0.423 -0.284 0.438) 0.672 7.283 ( 0.127 0.140 -0.127) 0.228 7.295 ( 0.687 -0.411 0.298) 0.854 7.355 ( 0.380 0.366 -0.153) 0.550 7.364 ( 0.728 -0.066 -0.229) 0.766 7.558 ( -1.505 0.601 1.537) 2.234 7.584 ( -0.961 -0.510 0.726) 1.308 7.600 ( 0.063 0.584 -0.449) 0.739 7.630 ( 0.791 -0.662 -1.435) 1.768 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.156 -1.146 -6.873) 6.970 0.693 ( 0.048 -1.526 -9.826) 9.944 0.734 ( 3.964 1.068 -4.140) 5.830 0.857 ( 2.328 -2.069 3.707) 4.842 0.885 ( 3.003 -0.350 4.802) 5.674 0.965 ( 2.350 -0.574 0.862) 2.568 1.025 ( 1.742 0.812 2.971) 3.538 1.036 ( 6.007 -1.349 0.909) 6.223 1.166 ( 8.595 0.408 0.699) 8.633 1.243 ( 6.249 -1.935 1.150) 6.642 1.288 ( -0.478 0.902 -0.545) 1.157 1.299 ( 0.255 0.718 -3.655) 3.734 1.354 ( -0.781 2.282 1.026) 2.621 1.422 ( -0.973 1.998 1.434) 2.645 1.469 ( 0.594 0.389 2.194) 2.306 1.539 ( 1.126 2.599 1.478) 3.195 1.559 ( 0.964 -0.393 -0.191) 1.059 1.602 ( 0.132 0.159 0.648) 0.680 1.649 ( -2.220 -0.541 1.389) 2.674 1.704 ( -0.663 0.870 -0.988) 1.474 1.785 ( 1.529 0.402 0.402) 1.631 1.802 ( 0.229 -1.071 1.229) 1.646 1.820 ( -1.670 -1.148 -0.100) 2.029 1.878 ( 0.165 -0.258 -0.371) 0.481 1.928 ( -1.749 -1.015 -4.392) 4.835 1.934 ( 2.102 -1.062 -1.203) 2.645 1.987 ( -1.231 0.116 0.817) 1.482 2.113 ( -1.993 3.280 -2.664) 4.672 2.128 ( -1.750 -1.836 -4.356) 5.040 2.167 ( 1.009 -1.368 -0.665) 1.826 2.213 ( 0.911 -0.364 0.269) 1.018 2.281 ( 0.456 -1.612 1.751) 2.423 2.339 ( -1.483 1.039 -0.439) 1.863 2.359 ( -0.871 0.122 3.710) 3.812 2.429 ( 0.469 0.553 -3.031) 3.117 2.466 ( -1.705 -2.174 -2.583) 3.782 2.520 ( 0.336 1.514 0.291) 1.578 2.593 ( -2.779 0.677 -0.113) 2.862 2.643 ( -0.819 0.988 2.252) 2.592 2.703 ( -2.232 -0.100 -0.738) 2.353 2.769 ( 1.176 0.830 0.045) 1.440 2.824 ( 1.473 -1.200 2.908) 3.474 3.552 ( 0.785 0.313 -1.075) 1.367 3.566 ( 0.589 -0.170 -0.799) 1.007 3.624 ( 1.113 0.261 -0.763) 1.375 3.646 ( 0.254 -0.655 1.707) 1.846 3.902 ( -1.174 0.800 1.033) 1.756 3.927 ( -0.285 -0.461 0.336) 0.638 3.979 ( -1.561 1.138 0.361) 1.965 4.027 ( -0.632 -0.504 -0.364) 0.887 4.140 ( -0.485 0.268 -0.044) 0.556 4.151 ( -0.740 0.347 0.089) 0.822 4.160 ( -2.390 0.522 -0.165) 2.452 4.170 ( -0.361 -0.574 -0.965) 1.179 4.199 ( -0.243 0.843 -1.059) 1.375 4.224 ( -1.408 -0.337 -0.536) 1.544 4.236 ( -2.854 -0.177 0.630) 2.928 4.266 ( -2.938 -0.958 -0.107) 3.092 4.306 ( -2.247 -0.010 -0.797) 2.384 4.325 ( -1.436 -1.120 -1.098) 2.126 4.461 ( 1.394 1.215 0.659) 1.964 4.495 ( 1.691 -0.537 0.165) 1.782 4.749 ( 0.860 0.821 0.154) 1.199 4.783 ( 1.018 0.574 0.085) 1.172 4.812 ( -0.091 -0.396 0.615) 0.737 4.824 ( 0.206 0.010 -0.005) 0.207 4.865 ( 1.080 -0.204 0.177) 1.113 4.881 ( 0.490 -1.007 0.621) 1.280 4.982 ( -0.536 0.620 -0.841) 1.174 5.008 ( -0.274 -0.510 -0.986) 1.143 5.432 ( 0.124 0.309 0.813) 0.878 5.447 ( 0.797 -0.318 -0.193) 0.879 5.483 ( 0.139 -0.015 -0.283) 0.316 5.484 ( 0.197 -0.024 -0.531) 0.567 6.388 ( -0.738 0.280 -0.027) 0.790 6.404 ( -0.378 -0.409 -0.368) 0.668 6.443 ( 0.316 0.189 0.075) 0.375 6.446 ( 0.178 0.006 -0.007) 0.179 6.701 ( 1.327 0.319 0.043) 1.365 6.710 ( 1.341 -0.066 0.315) 1.379 6.721 ( 1.246 0.064 -0.220) 1.267 6.722 ( 1.223 -0.127 0.177) 1.242 6.761 ( 0.528 0.691 -0.426) 0.968 6.775 ( 0.761 0.066 -0.509) 0.918 6.779 ( 1.162 0.054 0.386) 1.225 6.791 ( 0.644 -0.463 0.050) 0.795 6.890 ( -0.265 0.341 0.360) 0.562 6.901 ( 0.347 0.101 -0.482) 0.603 6.908 ( 0.492 -0.129 -0.524) 0.730 6.909 ( 0.115 -0.394 0.199) 0.456 7.187 ( -1.009 0.165 -0.142) 1.032 7.193 ( -1.069 0.179 -0.076) 1.086 7.211 ( -0.876 -0.355 0.317) 0.997 7.215 ( -0.924 -0.308 0.499) 1.094 7.289 ( 0.486 0.360 0.279) 0.666 7.313 ( 0.765 -0.740 0.643) 1.243 7.362 ( 0.770 0.443 -0.409) 0.978 7.372 ( 0.653 -0.076 -0.507) 0.830 7.551 ( -1.498 0.556 1.628) 2.281 7.576 ( -1.179 -0.593 1.018) 1.667 7.595 ( 0.193 0.638 -0.731) 0.989 7.623 ( 0.492 -0.591 -1.589) 1.766 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 2.581 0.827 -1.375) 3.040 0.705 ( 3.441 -3.394 3.348) 5.880 0.800 ( 5.513 3.099 0.867) 6.384 0.924 ( 3.560 -1.603 -0.160) 3.908 0.980 ( 1.902 -0.017 4.745) 5.112 1.029 ( 4.586 -0.017 -0.332) 4.598 1.054 ( 0.044 2.115 0.780) 2.255 1.143 ( 4.162 -3.821 1.923) 5.968 1.214 ( 1.930 4.359 -5.757) 7.475 1.263 ( 0.360 1.679 -0.863) 1.922 1.280 ( 0.333 -2.695 -0.223) 2.725 1.348 ( 4.289 -0.787 1.563) 4.632 1.388 ( 1.814 -2.573 0.170) 3.153 1.449 ( 0.571 0.562 1.212) 1.452 1.506 ( -1.944 0.473 -0.119) 2.005 1.566 ( 2.392 -1.490 1.070) 3.015 1.600 ( -0.504 1.492 3.110) 3.486 1.618 ( 3.361 2.893 0.848) 4.515 1.671 ( 0.943 -0.889 3.270) 3.517 1.678 ( -1.987 0.353 1.910) 2.779 1.762 ( -1.627 -2.436 -1.696) 3.385 1.778 ( -2.943 -0.714 -1.827) 3.537 1.826 ( 4.303 6.136 -1.000) 7.561 1.875 ( -2.244 2.296 -2.654) 4.166 1.885 ( 0.284 -1.231 -1.803) 2.201 1.930 ( 3.194 -0.648 -0.676) 3.329 1.988 ( -1.137 -3.029 -0.573) 3.286 2.055 ( -0.931 1.578 -1.305) 2.249 2.078 ( -0.457 -0.957 2.535) 2.748 2.179 ( -1.355 -4.017 1.620) 4.539 2.245 ( -1.621 0.181 -0.631) 1.749 2.263 ( 1.869 -0.020 0.180) 1.878 2.328 ( -2.846 0.516 -6.654) 7.255 2.350 ( -0.469 0.750 1.397) 1.654 2.390 ( -0.214 0.578 2.650) 2.720 2.434 ( 0.428 -2.562 -2.306) 3.474 2.511 ( -0.754 1.382 -0.680) 1.715 2.568 ( -1.290 -0.266 0.158) 1.327 2.619 ( -3.021 0.167 -0.589) 3.082 2.660 ( -0.924 -0.437 -2.985) 3.155 2.762 ( -0.739 3.038 -2.398) 3.940 2.851 ( -0.385 -1.320 -0.591) 1.497 3.550 ( 0.551 0.120 -1.074) 1.213 3.561 ( 0.134 -0.272 -1.141) 1.181 3.642 ( 1.822 0.582 -0.437) 1.962 3.665 ( -0.017 -0.285 1.145) 1.180 3.900 ( -0.816 0.370 1.408) 1.669 3.931 ( 0.011 -0.795 0.663) 1.035 3.964 ( -1.152 1.368 0.661) 1.907 4.009 ( -0.955 -0.471 -0.622) 1.233 4.097 ( -2.435 0.758 0.503) 2.599 4.129 ( -1.587 0.145 0.644) 1.719 4.132 ( -2.282 -0.178 0.978) 2.489 4.160 ( -1.541 -1.066 0.205) 1.885 4.179 ( -0.771 0.128 -0.967) 1.243 4.199 ( -0.446 -0.568 -0.243) 0.762 4.221 ( -0.410 0.596 0.634) 0.962 4.233 ( -1.774 -0.288 0.956) 2.035 4.268 ( -0.459 0.597 -0.958) 1.219 4.318 ( 0.748 -1.401 0.818) 1.787 4.470 ( 0.238 1.443 -1.667) 2.217 4.511 ( 0.890 -0.519 -1.283) 1.645 4.769 ( 1.153 0.671 0.413) 1.396 4.798 ( 0.616 1.105 0.237) 1.288 4.818 ( -0.097 -0.402 0.654) 0.774 4.829 ( 0.157 -0.001 0.272) 0.314 4.885 ( 0.762 -0.690 0.316) 1.076 4.889 ( 0.026 -0.958 0.219) 0.983 4.963 ( -0.366 0.645 -1.296) 1.493 4.986 ( -0.303 -0.416 -1.869) 1.938 5.445 ( 0.109 0.293 0.990) 1.038 5.459 ( 0.725 -0.306 0.059) 0.790 5.481 ( 0.336 0.020 -0.618) 0.703 5.483 ( 0.092 -0.041 -0.267) 0.285 6.381 ( -0.332 0.320 0.421) 0.624 6.398 ( -0.049 -0.405 0.018) 0.409 6.441 ( -0.184 0.190 -0.612) 0.667 6.446 ( -0.055 -0.046 -0.359) 0.366 6.717 ( 0.581 0.279 0.003) 0.644 6.730 ( 0.635 0.766 0.068) 0.998 6.735 ( 1.186 -0.363 -0.189) 1.255 6.748 ( 0.998 -0.057 0.544) 1.139 6.775 ( 1.319 0.214 0.137) 1.343 6.785 ( 1.155 0.118 -0.228) 1.183 6.797 ( 0.818 -0.060 -0.003) 0.820 6.811 ( 1.154 -0.424 0.339) 1.275 6.891 ( -0.214 0.376 0.464) 0.634 6.903 ( 0.473 0.108 -0.470) 0.675 6.910 ( 0.430 -0.250 -0.453) 0.673 6.913 ( 0.179 -0.316 0.052) 0.367 7.168 ( -0.986 0.202 -0.195) 1.025 7.174 ( -1.162 0.122 -0.025) 1.168 7.199 ( -0.943 -0.273 0.314) 1.031 7.204 ( -1.050 -0.320 0.345) 1.151 7.303 ( 0.554 0.482 0.698) 1.013 7.331 ( 0.479 -0.759 0.645) 1.105 7.368 ( 0.728 0.264 -0.703) 1.045 7.373 ( 0.367 -0.006 -0.722) 0.810 7.546 ( -1.304 0.511 1.666) 2.176 7.570 ( -0.869 -0.627 1.003) 1.467 7.591 ( 0.310 0.569 -0.650) 0.918 7.613 ( 0.540 -0.461 -1.451) 1.615 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 6.566 2.336 8.485) 10.980 0.804 ( 2.659 1.682 3.278) 4.544 0.909 ( 1.509 0.669 5.193) 5.449 0.948 ( -0.454 3.685 -0.801) 3.799 1.039 ( 1.503 -1.470 1.192) 2.417 1.055 ( 0.241 5.234 -1.934) 5.586 1.075 ( 1.730 -0.831 -0.581) 2.005 1.160 ( 0.098 1.112 -3.404) 3.583 1.253 ( 7.088 -2.904 -0.407) 7.670 1.283 ( -1.807 -3.597 2.471) 4.724 1.297 ( 3.207 1.019 2.024) 3.927 1.385 ( -1.974 1.479 -2.428) 3.461 1.415 ( -0.476 -3.686 0.525) 3.753 1.453 ( 1.299 -4.743 0.882) 4.996 1.501 ( 2.399 -0.024 0.875) 2.554 1.554 ( -0.628 -2.449 -1.179) 2.790 1.599 ( -2.680 -1.102 -1.360) 3.201 1.620 ( -5.528 -0.459 3.176) 6.392 1.659 ( 1.153 2.167 -3.015) 3.888 1.691 ( -2.983 0.585 0.504) 3.081 1.734 ( -1.427 -0.707 1.650) 2.293 1.751 ( -0.563 -0.578 -2.369) 2.502 1.804 ( 2.398 4.305 0.806) 4.993 1.912 ( 1.337 2.260 0.314) 2.644 1.923 ( 0.386 0.664 -2.945) 3.044 1.972 ( 3.160 -2.714 0.911) 4.264 2.000 ( 3.046 -1.198 4.660) 5.695 2.039 ( 2.673 -0.519 -2.508) 3.702 2.146 ( 2.249 0.240 5.209) 5.679 2.168 ( -0.336 0.129 -0.960) 1.025 2.174 ( -2.386 2.003 -2.602) 4.059 2.243 ( -0.145 -1.609 -1.608) 2.279 2.292 ( -1.800 -0.113 1.441) 2.309 2.360 ( 0.062 -0.458 0.757) 0.887 2.407 ( -0.793 0.112 -0.576) 0.986 2.429 ( 1.660 1.061 0.099) 1.972 2.481 ( -1.511 2.078 -1.451) 2.951 2.531 ( -2.190 -0.727 -2.758) 3.596 2.559 ( -1.183 -1.320 -2.240) 2.857 2.577 ( -2.577 -1.166 -4.780) 5.554 2.727 ( -0.417 2.857 -0.641) 2.958 2.806 ( -1.733 -1.204 -3.194) 3.828 3.546 ( 0.237 -0.047 -0.854) 0.888 3.548 ( -0.184 -0.084 -0.860) 0.883 3.663 ( 0.537 0.353 0.107) 0.651 3.672 ( 0.461 0.378 -0.181) 0.623 3.907 ( -0.227 -0.120 1.314) 1.339 3.937 ( 0.515 -1.140 -0.453) 1.331 3.954 ( -0.870 1.071 0.967) 1.685 3.986 ( -0.523 -0.265 -0.924) 1.094 4.091 ( 0.274 -0.033 0.683) 0.737 4.107 ( -1.376 -0.015 0.686) 1.538 4.109 ( -2.680 0.029 1.371) 3.011 4.129 ( -0.646 -0.655 -0.893) 1.282 4.182 ( 0.444 -0.222 0.937) 1.061 4.197 ( -0.533 -0.567 -0.133) 0.790 4.222 ( 0.707 1.047 1.263) 1.786 4.242 ( 0.878 -0.304 1.746) 1.978 4.284 ( 1.454 1.350 1.684) 2.602 4.350 ( 1.081 -1.461 1.804) 2.560 4.431 ( -1.233 1.784 -3.702) 4.290 4.487 ( -0.726 -0.824 -3.307) 3.485 4.792 ( 0.954 0.460 0.532) 1.185 4.807 ( 0.023 0.909 0.165) 0.924 4.822 ( -0.074 0.273 0.476) 0.554 4.834 ( -0.165 -0.288 0.301) 0.448 4.886 ( -0.295 -0.443 0.572) 0.781 4.902 ( 0.344 -0.787 0.502) 0.995 4.942 ( -0.143 0.318 -1.612) 1.650 4.960 ( -0.233 -0.471 -2.031) 2.098 5.456 ( -0.187 0.275 1.041) 1.093 5.470 ( 0.356 -0.318 0.198) 0.517 5.480 ( 0.301 0.007 -0.584) 0.657 5.481 ( 0.203 -0.002 -0.412) 0.459 6.387 ( 0.141 0.297 0.859) 0.920 6.403 ( 0.276 -0.396 0.434) 0.649 6.427 ( -0.364 0.294 -0.954) 1.063 6.436 ( -0.324 -0.134 -0.815) 0.887 6.724 ( 0.277 0.539 0.134) 0.621 6.733 ( -0.039 0.746 -0.202) 0.774 6.751 ( 0.719 -0.556 0.072) 0.912 6.760 ( -0.068 -0.333 0.150) 0.371 6.799 ( 0.906 0.110 0.514) 1.048 6.805 ( 0.916 -0.125 0.239) 0.955 6.809 ( 0.569 0.290 0.112) 0.648 6.824 ( 0.160 -0.296 -0.104) 0.352 6.892 ( -0.319 0.383 0.548) 0.741 6.904 ( 0.452 0.233 -0.589) 0.778 6.912 ( -0.020 -0.465 0.099) 0.475 6.916 ( 0.456 -0.234 -0.363) 0.628 7.154 ( -0.340 0.188 -0.144) 0.414 7.157 ( -0.647 0.133 -0.088) 0.666 7.190 ( -0.412 -0.281 0.191) 0.535 7.192 ( -0.629 -0.271 0.179) 0.708 7.321 ( 0.426 0.402 1.003) 1.162 7.341 ( -0.061 -0.410 0.545) 0.684 7.366 ( -0.005 0.042 -0.825) 0.826 7.370 ( 0.426 -0.050 -0.861) 0.962 7.546 ( -1.064 0.482 1.622) 1.998 7.569 ( -0.426 -0.641 0.635) 0.998 7.590 ( 0.328 0.519 -0.437) 0.754 7.609 ( 0.723 -0.377 -1.176) 1.431 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -6.113 2.744 0.291) 6.707 0.898 ( 4.889 0.899 1.108) 5.093 0.924 ( -4.896 6.205 -0.124) 7.905 0.943 ( -3.049 2.306 2.890) 4.793 1.001 ( 0.938 -2.091 -0.829) 2.437 1.061 ( 0.372 1.547 -2.179) 2.698 1.094 ( 0.762 2.223 0.440) 2.390 1.126 ( 0.820 2.955 -1.718) 3.515 1.230 ( -7.844 -3.322 0.993) 8.576 1.304 ( -4.141 0.388 0.956) 4.268 1.367 ( 5.528 -1.661 -2.062) 6.130 1.385 ( -0.045 -0.845 -2.545) 2.682 1.413 ( 2.798 -5.017 1.975) 6.075 1.435 ( 0.130 -3.088 0.721) 3.173 1.496 ( -4.396 -1.486 1.274) 4.812 1.526 ( -5.762 -2.261 0.974) 6.266 1.586 ( 2.376 -1.265 -0.332) 2.712 1.609 ( 1.856 1.956 0.506) 2.744 1.624 ( -0.262 -1.038 1.931) 2.208 1.686 ( 2.903 0.255 -1.747) 3.398 1.737 ( 1.747 0.354 1.398) 2.265 1.797 ( 4.497 -2.757 -1.739) 5.555 1.830 ( -3.446 0.973 -0.205) 3.586 1.856 ( -1.309 3.363 0.679) 3.672 1.931 ( -0.850 4.115 1.955) 4.634 1.939 ( -2.890 -1.255 -0.459) 3.183 2.048 ( -0.371 -3.017 1.337) 3.321 2.091 ( -1.197 -0.804 -4.121) 4.366 2.119 ( -2.741 -1.984 -4.878) 5.937 2.170 ( 5.640 -1.502 2.023) 6.177 2.243 ( -2.881 3.236 -2.140) 4.832 2.254 ( -1.696 -0.819 0.252) 1.900 2.277 ( 3.251 2.857 0.882) 4.417 2.334 ( 7.100 0.596 2.208) 7.459 2.408 ( -4.560 1.058 -1.353) 4.873 2.442 ( 0.282 0.089 0.627) 0.693 2.472 ( 1.186 -1.649 -0.124) 2.035 2.479 ( 2.879 1.863 0.036) 3.429 2.523 ( -0.945 -1.093 -0.591) 1.561 2.542 ( 1.066 -0.796 -0.679) 1.494 2.741 ( 0.881 0.504 2.304) 2.517 2.750 ( -0.730 0.237 -2.222) 2.351 3.537 ( -0.417 0.063 -0.086) 0.431 3.542 ( 0.028 -0.179 -0.318) 0.366 3.655 ( -1.392 0.979 0.378) 1.743 3.682 ( 1.073 -0.098 -0.747) 1.311 3.918 ( -0.046 -0.322 0.691) 0.764 3.940 ( 1.487 -1.086 -1.391) 2.308 3.963 ( 0.199 0.334 1.300) 1.357 3.976 ( 0.572 -0.085 -0.874) 1.048 4.086 ( -0.943 0.044 0.778) 1.223 4.098 ( -0.609 -0.007 1.352) 1.483 4.120 ( 2.517 0.064 -0.158) 2.523 4.139 ( 2.800 -0.466 -1.082) 3.038 4.188 ( 0.051 -0.365 -0.073) 0.376 4.196 ( 0.808 -0.413 -0.126) 0.916 4.252 ( -0.909 0.865 -0.238) 1.277 4.262 ( 0.774 0.299 0.337) 0.896 4.343 ( 1.712 1.101 3.545) 4.087 4.350 ( -1.796 1.364 -4.196) 4.764 4.409 ( 1.317 -1.006 3.641) 4.000 4.419 ( -1.919 -0.944 -4.031) 4.563 4.797 ( -1.024 0.855 0.073) 1.336 4.811 ( 0.315 0.303 0.025) 0.438 4.826 ( -0.335 0.145 0.206) 0.419 4.833 ( 0.324 -0.017 0.200) 0.381 4.897 ( 0.141 -0.095 1.448) 1.458 4.903 ( -0.312 -0.238 -0.349) 0.525 4.932 ( -0.006 -0.457 -0.659) 0.802 4.935 ( 0.094 -0.418 -1.030) 1.116 5.462 ( -0.450 0.201 0.958) 1.077 5.472 ( -0.352 -0.259 0.144) 0.460 5.477 ( 0.343 0.045 -0.907) 0.970 5.479 ( 0.169 -0.032 -0.317) 0.360 6.403 ( 0.361 0.156 0.868) 0.953 6.406 ( -0.152 0.081 -0.719) 0.739 6.419 ( 0.008 -0.094 -0.059) 0.111 6.420 ( 0.063 -0.075 -0.248) 0.267 6.727 ( -0.419 0.579 -0.075) 0.719 6.729 ( -0.013 0.712 0.157) 0.729 6.751 ( -0.879 -0.420 0.024) 0.974 6.760 ( 0.218 -0.603 0.055) 0.644 6.806 ( -0.672 0.049 -0.107) 0.682 6.810 ( -0.290 0.046 0.060) 0.299 6.812 ( -0.960 0.068 -0.283) 1.003 6.819 ( -0.117 -0.062 0.277) 0.307 6.892 ( -0.404 0.319 0.538) 0.744 6.904 ( 0.313 0.237 -0.551) 0.677 6.909 ( -0.426 -0.337 0.088) 0.550 6.919 ( 0.312 -0.314 -0.367) 0.575 7.153 ( 0.328 0.205 -0.056) 0.391 7.157 ( 0.713 0.105 -0.031) 0.721 7.189 ( 0.228 -0.209 0.207) 0.372 7.193 ( 0.592 -0.332 0.049) 0.680 7.337 ( -0.054 0.133 0.832) 0.844 7.339 ( -0.364 0.079 -0.094) 0.385 7.355 ( -0.509 0.091 -0.115) 0.529 7.366 ( 0.217 -0.308 -0.687) 0.783 7.548 ( -0.852 0.437 1.572) 1.841 7.570 ( -0.143 -0.600 0.370) 0.719 7.591 ( 0.323 0.497 -0.462) 0.752 7.609 ( 0.791 -0.356 -1.141) 1.433 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -9.324 2.116 -4.463) 10.552 0.779 ( -7.693 3.306 -2.273) 8.677 0.848 ( -8.030 -4.575 -2.955) 9.703 0.926 ( -6.231 -1.745 1.050) 6.556 0.967 ( 2.787 4.810 -2.085) 5.937 1.072 ( -0.395 2.461 -3.880) 4.611 1.101 ( -4.620 2.203 3.339) 6.111 1.136 ( 3.383 -0.116 -0.021) 3.385 1.151 ( -1.217 -2.779 0.602) 3.093 1.257 ( -3.475 0.247 0.390) 3.505 1.312 ( -0.056 -0.344 -2.742) 2.764 1.362 ( -5.324 -1.735 -0.397) 5.614 1.397 ( -2.633 0.243 -0.036) 2.644 1.459 ( 0.007 0.547 -0.438) 0.701 1.496 ( 2.725 -1.527 0.681) 3.197 1.545 ( 2.745 -4.084 2.293) 5.429 1.606 ( -1.515 0.085 1.665) 2.253 1.610 ( -3.292 4.683 1.599) 5.943 1.688 ( -0.572 -1.301 4.237) 4.469 1.722 ( 1.365 0.719 -2.044) 2.561 1.748 ( -2.316 2.403 0.560) 3.384 1.785 ( 0.720 0.652 0.645) 1.166 1.800 ( 3.424 4.955 -0.714) 6.065 1.836 ( 0.061 -0.907 -3.938) 4.041 1.910 ( -2.295 0.051 -1.691) 2.851 1.937 ( -1.419 -5.564 -0.931) 5.817 2.000 ( 0.156 -1.114 -0.640) 1.294 2.016 ( -0.119 -1.712 -1.515) 2.289 2.136 ( -0.239 -1.922 3.793) 4.259 2.192 ( 1.108 -1.223 -1.952) 2.556 2.209 ( -0.539 1.512 1.542) 2.226 2.230 ( 0.579 -3.135 -2.442) 4.016 2.312 ( 0.151 -1.356 -1.722) 2.197 2.388 ( 2.018 -1.730 -1.549) 3.077 2.412 ( 0.141 1.993 -0.837) 2.166 2.437 ( 1.677 1.340 -0.201) 2.156 2.502 ( 1.725 2.139 -0.242) 2.758 2.554 ( 3.386 0.605 1.515) 3.758 2.565 ( 3.155 -0.509 3.856) 5.008 2.581 ( 2.153 0.554 3.595) 4.226 2.733 ( 0.611 2.711 0.055) 2.780 2.803 ( 1.726 -0.800 3.489) 3.974 3.532 ( -0.606 0.156 0.580) 0.853 3.541 ( -0.236 -0.284 0.518) 0.636 3.634 ( -1.583 1.395 0.299) 2.131 3.686 ( 0.562 -0.782 -0.875) 1.301 3.923 ( 0.682 -0.396 -0.452) 0.909 3.950 ( 1.519 -0.851 -1.589) 2.357 3.981 ( 1.234 0.354 -0.426) 1.353 3.991 ( 1.049 0.091 0.938) 1.410 4.100 ( 1.559 -0.015 0.814) 1.758 4.120 ( 1.392 -0.291 1.202) 1.862 4.160 ( 2.049 -0.154 -0.375) 2.089 4.171 ( 2.113 -0.712 -1.408) 2.637 4.192 ( -0.164 0.569 -1.805) 1.900 4.207 ( 0.634 -0.215 -0.393) 0.776 4.226 ( 0.434 1.350 -0.588) 1.535 4.251 ( 0.581 -0.548 -1.465) 1.668 4.283 ( -0.859 1.264 -2.235) 2.708 4.344 ( -1.690 -1.273 -2.015) 2.921 4.417 ( 1.162 1.342 3.306) 3.752 4.469 ( 0.587 -1.068 2.818) 3.071 4.776 ( -1.198 0.962 -0.269) 1.560 4.804 ( -0.785 0.555 -0.057) 0.963 4.827 ( 0.279 0.162 -0.163) 0.361 4.835 ( -0.413 -0.808 -0.173) 0.924 4.897 ( 0.331 -0.377 -0.527) 0.728 4.901 ( -0.440 -0.405 -1.128) 1.277 4.930 ( 0.258 0.416 1.716) 1.784 4.948 ( 0.269 -0.372 1.402) 1.475 5.462 ( -0.516 -0.030 0.062) 0.521 5.463 ( -0.643 -0.096 -0.047) 0.651 5.471 ( 0.015 0.255 -0.478) 0.541 5.480 ( 0.054 -0.157 -0.050) 0.174 6.394 ( 0.004 0.212 -0.764) 0.792 6.404 ( -0.121 -0.254 -0.588) 0.652 6.425 ( 0.448 0.280 0.902) 1.046 6.434 ( 0.347 -0.150 0.662) 0.763 6.717 ( -0.673 0.372 0.007) 0.769 6.728 ( -0.582 0.717 0.244) 0.955 6.733 ( -1.310 -0.159 0.024) 1.320 6.757 ( -0.660 -0.515 -0.194) 0.859 6.780 ( -1.928 0.197 -0.219) 1.951 6.786 ( -1.166 -0.182 -0.424) 1.254 6.801 ( -0.774 0.265 -0.380) 0.902 6.812 ( -0.966 -0.219 0.208) 1.012 6.892 ( -0.298 0.152 0.443) 0.554 6.902 ( -0.219 0.054 -0.307) 0.381 6.903 ( -0.158 0.014 -0.036) 0.163 6.917 ( 0.012 -0.321 -0.300) 0.440 7.165 ( 1.080 0.253 0.022) 1.109 7.174 ( 1.264 -0.022 -0.001) 1.264 7.202 ( 0.932 -0.165 0.075) 0.950 7.208 ( 1.066 -0.319 -0.058) 1.114 7.323 ( -0.491 0.326 -1.062) 1.214 7.339 ( -0.495 -0.437 0.105) 0.668 7.352 ( -0.451 0.272 0.837) 0.989 7.361 ( -0.320 -0.158 0.006) 0.357 7.553 ( -0.691 0.382 1.558) 1.746 7.573 ( -0.067 -0.533 0.477) 0.718 7.591 ( 0.505 0.476 -0.663) 0.960 7.609 ( 0.907 -0.355 -1.239) 1.576 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -8.225 1.980 3.084) 9.005 0.618 ( -13.113 0.917 4.357) 13.848 0.700 ( -2.239 -5.223 -4.461) 7.224 0.854 ( -4.566 -5.525 3.226) 7.860 0.976 ( 2.775 2.833 -3.647) 5.387 1.007 ( -2.719 1.979 -3.330) 4.733 1.092 ( -4.566 0.526 -1.385) 4.800 1.099 ( -2.830 3.300 2.092) 4.824 1.149 ( 0.907 -0.335 -4.798) 4.895 1.215 ( -3.209 0.888 4.221) 5.376 1.263 ( -7.427 1.906 0.710) 7.700 1.314 ( 1.700 -1.518 -3.280) 3.994 1.358 ( -0.051 3.843 0.622) 3.893 1.451 ( 0.627 3.332 -1.529) 3.719 1.501 ( -5.523 3.211 -1.071) 6.478 1.541 ( 0.539 -1.468 1.099) 1.912 1.567 ( 0.361 -1.432 -2.206) 2.655 1.630 ( 2.223 -2.435 1.043) 3.458 1.689 ( -0.360 -3.272 -3.375) 4.715 1.694 ( 0.088 2.352 1.215) 2.649 1.775 ( 0.026 0.213 0.874) 0.900 1.791 ( -0.845 -2.373 -0.660) 2.604 1.828 ( -0.880 0.523 1.438) 1.765 1.855 ( 0.869 -1.042 3.540) 3.791 1.864 ( 2.099 1.055 1.069) 2.581 1.947 ( 1.085 0.242 -3.857) 4.014 1.999 ( 1.404 -3.950 1.173) 4.353 2.043 ( -3.021 -2.884 1.296) 4.373 2.076 ( 1.938 0.012 0.312) 1.963 2.170 ( -3.406 -2.089 -0.619) 4.044 2.253 ( 0.111 0.212 -0.411) 0.476 2.281 ( 3.150 -0.835 1.063) 3.428 2.318 ( 1.950 0.825 4.045) 4.565 2.365 ( -1.254 2.367 -2.840) 3.904 2.430 ( 2.645 -1.853 0.798) 3.327 2.442 ( 1.900 0.087 -3.123) 3.656 2.519 ( 0.647 2.026 -0.691) 2.236 2.603 ( 2.050 -0.907 -0.635) 2.330 2.640 ( 0.485 0.809 2.604) 2.769 2.664 ( 3.723 0.446 2.783) 4.669 2.760 ( 0.730 3.191 0.735) 3.355 2.850 ( 0.418 -0.977 0.850) 1.361 3.528 ( -0.939 0.336 0.962) 1.385 3.544 ( -0.471 -0.359 1.014) 1.174 3.615 ( -0.999 1.511 0.248) 1.828 3.679 ( 0.117 -1.273 -1.393) 1.890 3.930 ( 1.171 -0.098 -1.047) 1.574 3.951 ( 1.251 -0.284 -2.235) 2.577 3.995 ( 1.548 0.784 -0.929) 1.968 4.016 ( 0.667 -0.161 0.802) 1.056 4.143 ( 1.885 0.122 0.097) 1.891 4.147 ( 0.141 0.283 -1.467) 1.501 4.164 ( 0.774 0.078 0.707) 1.051 4.169 ( -0.008 -0.500 -0.037) 0.501 4.185 ( 0.921 0.096 -0.418) 1.015 4.203 ( 0.529 -0.550 0.777) 1.090 4.236 ( 0.815 1.374 -0.100) 1.601 4.285 ( 1.998 -1.225 -0.734) 2.456 4.290 ( 2.625 0.317 0.250) 2.656 4.319 ( 1.363 -0.565 -0.090) 1.479 4.454 ( 0.067 0.779 1.331) 1.544 4.485 ( -0.979 -0.799 0.888) 1.544 4.755 ( -0.911 0.977 -0.370) 1.386 4.788 ( -0.919 0.373 -0.242) 1.021 4.821 ( -0.563 -0.542 -0.273) 0.828 4.827 ( -0.062 -0.042 -0.236) 0.248 4.878 ( -0.677 0.000 -1.152) 1.336 4.895 ( 0.080 -0.932 -0.794) 1.227 4.955 ( 0.331 0.582 1.719) 1.845 4.974 ( 0.430 -0.291 2.125) 2.188 5.447 ( -0.782 0.046 -0.249) 0.822 5.452 ( -0.213 -0.166 -0.856) 0.898 5.470 ( -0.197 0.276 0.537) 0.635 5.480 ( -0.001 -0.164 0.100) 0.192 6.391 ( 0.409 0.182 -0.286) 0.532 6.400 ( 0.172 -0.231 -0.103) 0.306 6.439 ( 0.204 0.196 0.490) 0.566 6.442 ( -0.058 -0.008 0.313) 0.318 6.703 ( -1.187 0.089 -0.146) 1.200 6.709 ( -1.611 -0.048 0.300) 1.639 6.717 ( -1.014 0.559 0.145) 1.167 6.733 ( -1.503 -0.309 -0.688) 1.682 6.754 ( -0.965 0.489 0.225) 1.105 6.768 ( -0.734 0.040 0.037) 0.736 6.784 ( -0.809 0.150 -0.234) 0.856 6.796 ( -0.885 -0.333 -0.203) 0.967 6.893 ( -0.179 0.040 0.360) 0.404 6.896 ( -0.223 -0.023 -0.033) 0.227 6.901 ( -0.055 0.211 -0.032) 0.220 6.914 ( -0.063 -0.322 -0.249) 0.412 7.185 ( 1.159 0.218 0.030) 1.180 7.193 ( 1.071 -0.027 -0.069) 1.074 7.217 ( 0.866 -0.173 -0.185) 0.902 7.223 ( 0.889 -0.258 -0.230) 0.954 7.303 ( -0.312 0.414 -1.086) 1.204 7.328 ( -0.485 -0.781 -0.692) 1.151 7.352 ( -0.535 0.356 0.510) 0.821 7.357 ( -0.666 0.005 0.782) 1.027 7.560 ( -0.675 0.390 1.498) 1.688 7.579 ( 0.077 -0.444 0.520) 0.688 7.593 ( 0.576 0.409 -0.459) 0.843 7.612 ( 1.194 -0.390 -1.211) 1.745 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -6.919 -0.330 13.942) 15.568 0.563 ( -3.562 3.831 11.657) 12.777 0.682 ( 1.659 -1.869 2.854) 3.794 0.835 ( -2.840 -3.906 0.738) 4.885 0.898 ( -8.303 5.274 0.249) 9.840 0.939 ( -2.406 2.161 -7.753) 8.401 0.972 ( 1.101 2.294 -4.518) 5.185 1.086 ( -2.034 -1.064 -3.646) 4.308 1.096 ( 1.024 1.499 0.113) 1.819 1.163 ( -2.896 -1.080 -3.116) 4.389 1.238 ( -0.342 -0.101 3.343) 3.362 1.297 ( 1.152 -1.907 -1.292) 2.575 1.371 ( -1.183 -1.253 0.036) 1.724 1.453 ( -0.155 -0.807 -0.202) 0.847 1.467 ( 2.503 1.795 0.808) 3.184 1.527 ( -0.812 -0.264 -0.389) 0.939 1.595 ( 3.266 -0.075 -0.807) 3.365 1.635 ( -0.036 -1.399 -2.988) 3.300 1.663 ( -0.926 -0.471 1.164) 1.560 1.690 ( -1.063 5.991 -1.701) 6.318 1.769 ( 0.243 0.582 -0.292) 0.695 1.822 ( 1.799 -2.886 1.862) 3.877 1.831 ( -0.452 0.406 0.996) 1.167 1.848 ( -4.733 -5.507 -1.627) 7.442 1.893 ( 0.616 -0.192 0.157) 0.664 1.933 ( 0.792 -3.396 3.432) 4.893 2.010 ( 2.030 0.501 -0.034) 2.091 2.062 ( -2.829 -0.440 2.521) 3.815 2.137 ( 1.603 0.367 3.194) 3.592 2.161 ( 2.614 1.404 2.710) 4.019 2.208 ( -1.259 0.640 -2.062) 2.499 2.275 ( -1.791 0.161 -2.309) 2.926 2.368 ( 1.592 1.655 1.326) 2.652 2.390 ( 0.224 1.158 2.255) 2.544 2.426 ( 1.330 -0.233 -4.778) 4.965 2.481 ( 1.945 -3.104 0.559) 3.705 2.525 ( 0.815 0.764 0.166) 1.129 2.612 ( -0.144 -2.009 0.616) 2.106 2.667 ( 1.035 5.089 -0.698) 5.240 2.735 ( 1.856 0.114 1.367) 2.308 2.749 ( -1.371 0.918 -0.602) 1.756 2.829 ( -1.196 -1.064 -2.688) 3.129 3.528 ( -0.543 0.557 1.363) 1.570 3.547 ( -0.583 -0.192 0.973) 1.151 3.607 ( -0.397 0.915 0.304) 1.043 3.660 ( -0.219 -1.283 -1.782) 2.207 3.934 ( 0.797 0.215 -1.172) 1.434 3.944 ( 1.024 0.159 -2.160) 2.396 4.015 ( 1.940 0.849 -0.636) 2.211 4.030 ( 0.192 0.160 0.515) 0.573 4.131 ( -0.682 -0.081 -0.000) 0.687 4.147 ( -1.169 -0.666 -0.557) 1.456 4.171 ( -0.039 0.495 -0.302) 0.581 4.183 ( 0.030 0.624 -0.320) 0.702 4.192 ( 1.068 1.154 2.294) 2.781 4.247 ( 2.239 -0.820 1.316) 2.723 4.275 ( 2.177 0.120 1.226) 2.502 4.304 ( 1.438 -2.015 1.361) 2.825 4.336 ( 2.066 -0.007 0.386) 2.102 4.358 ( 2.505 -0.216 -1.380) 2.868 4.448 ( -1.015 0.651 -0.860) 1.481 4.472 ( -1.001 -0.769 0.149) 1.271 4.742 ( -0.152 0.800 -0.265) 0.856 4.768 ( -1.032 0.170 -0.449) 1.138 4.813 ( -0.559 -0.285 0.304) 0.697 4.822 ( 0.009 -0.353 -0.422) 0.551 4.857 ( -0.341 0.318 -0.817) 0.940 4.882 ( -0.307 -0.867 -1.068) 1.409 4.980 ( 0.438 0.467 1.514) 1.644 5.001 ( 0.220 -0.479 1.418) 1.513 5.434 ( -0.644 0.113 -0.048) 0.656 5.440 ( 0.099 -0.168 -0.892) 0.913 5.475 ( -0.103 0.170 0.621) 0.652 5.482 ( 0.135 -0.156 0.094) 0.227 6.399 ( 0.665 0.129 0.126) 0.689 6.407 ( 0.438 -0.220 0.361) 0.609 6.438 ( -0.465 0.245 -0.182) 0.557 6.442 ( -0.214 0.019 0.032) 0.217 6.680 ( -1.072 0.298 -0.052) 1.113 6.688 ( -1.109 -0.140 0.308) 1.159 6.702 ( -1.172 0.098 -0.535) 1.292 6.708 ( -0.556 -0.401 0.052) 0.687 6.751 ( -0.242 0.619 0.569) 0.875 6.763 ( -0.236 -0.009 0.241) 0.337 6.773 ( -0.052 0.303 -0.264) 0.405 6.782 ( -0.566 -0.149 -0.182) 0.613 6.894 ( -0.121 -0.037 0.235) 0.267 6.894 ( -0.063 0.041 0.317) 0.326 6.900 ( 0.064 0.190 -0.123) 0.235 6.910 ( -0.019 -0.284 -0.277) 0.398 7.201 ( 0.805 0.100 0.001) 0.812 7.207 ( 0.648 0.085 0.035) 0.655 7.224 ( 0.327 -0.201 -0.307) 0.491 7.229 ( 0.304 -0.196 -0.361) 0.511 7.290 ( 0.004 0.281 -0.831) 0.877 7.309 ( -0.605 -0.615 -1.006) 1.325 7.350 ( -0.161 0.317 0.320) 0.478 7.355 ( -0.551 -0.003 0.613) 0.825 7.564 ( -0.872 0.494 1.461) 1.772 7.586 ( 0.252 -0.296 0.092) 0.400 7.599 ( 0.168 0.280 0.241) 0.405 7.620 ( 1.381 -0.497 -1.142) 1.859 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 2.181 -5.725 10.097) 11.810 0.662 ( 2.181 5.725 10.097) 11.810 0.746 ( -0.682 -2.222 3.027) 3.817 0.746 ( -0.682 2.222 3.027) 3.817 0.893 ( -5.031 -2.884 -2.059) 6.154 0.893 ( -5.031 2.884 -2.059) 6.154 0.990 ( 3.231 -4.471 -3.865) 6.736 0.990 ( 3.231 4.471 -3.865) 6.736 1.050 ( 2.990 -4.184 -9.073) 10.429 1.050 ( 2.990 4.184 -9.073) 10.429 1.263 ( 0.214 -1.065 2.537) 2.760 1.263 ( 0.214 1.065 2.537) 2.760 1.379 ( -0.953 -1.903 -0.047) 2.129 1.379 ( -0.953 1.903 -0.047) 2.129 1.539 ( -2.915 -1.918 5.669) 6.657 1.539 ( -2.915 1.918 5.669) 6.657 1.641 ( 0.781 -1.998 -2.587) 3.361 1.641 ( 0.781 1.998 -2.587) 3.361 1.657 ( -0.333 -1.678 -0.405) 1.758 1.657 ( -0.333 1.678 -0.405) 1.758 1.771 ( 0.887 -2.463 -0.102) 2.620 1.771 ( 0.887 2.463 -0.102) 2.620 1.861 ( 0.708 -4.071 -0.641) 4.181 1.861 ( 0.708 4.071 -0.641) 4.181 1.893 ( 0.404 -1.640 0.918) 1.922 1.893 ( 0.404 1.640 0.918) 1.922 2.050 ( 0.536 -1.519 1.557) 2.240 2.050 ( 0.536 1.519 1.557) 2.240 2.202 ( 0.365 -1.712 1.823) 2.527 2.202 ( 0.365 1.712 1.823) 2.527 2.227 ( -0.400 -1.649 -0.616) 1.805 2.227 ( -0.400 1.649 -0.616) 1.805 2.407 ( -0.595 -1.518 0.283) 1.655 2.407 ( -0.595 1.518 0.283) 1.655 2.421 ( 1.122 -1.871 -2.657) 3.438 2.421 ( 1.122 1.871 -2.657) 3.438 2.568 ( -0.235 -1.417 0.499) 1.520 2.568 ( -0.235 1.417 0.499) 1.520 2.726 ( -1.369 -1.129 -1.292) 2.195 2.726 ( -1.369 1.129 -1.292) 2.195 2.766 ( 0.116 -1.801 0.332) 1.835 2.766 ( 0.116 1.801 0.332) 1.835 3.548 ( -0.052 -0.322 1.009) 1.060 3.548 ( -0.052 0.322 1.009) 1.060 3.617 ( 0.003 -0.903 -0.811) 1.214 3.617 ( 0.003 0.903 -0.811) 1.214 3.935 ( 0.116 -0.255 -1.023) 1.061 3.935 ( 0.116 0.255 -1.023) 1.061 4.042 ( -0.125 -0.458 0.183) 0.508 4.042 ( -0.125 0.458 0.183) 0.508 4.119 ( 0.481 -0.406 -0.702) 0.943 4.119 ( 0.481 0.406 -0.702) 0.943 4.173 ( -0.589 -0.245 0.191) 0.666 4.173 ( -0.589 0.245 0.191) 0.666 4.259 ( 0.450 -0.940 0.657) 1.232 4.259 ( 0.450 0.940 0.657) 1.232 4.335 ( 1.807 -0.663 2.034) 2.800 4.335 ( 1.807 0.663 2.034) 2.800 4.357 ( -0.140 -0.088 -0.435) 0.465 4.357 ( -0.140 0.088 -0.435) 0.465 4.429 ( -1.157 -0.911 -1.142) 1.863 4.429 ( -1.157 0.911 -1.142) 1.863 4.752 ( 0.001 -0.403 -0.147) 0.429 4.752 ( 0.001 0.403 -0.147) 0.429 4.809 ( -0.059 -0.521 0.019) 0.524 4.809 ( -0.059 0.521 0.019) 0.524 4.856 ( -0.021 -0.364 -0.596) 0.699 4.856 ( -0.021 0.364 -0.596) 0.699 5.004 ( -0.024 -0.218 0.710) 0.743 5.004 ( -0.024 0.218 0.710) 0.743 5.431 ( -0.035 -0.294 -0.194) 0.354 5.431 ( -0.035 0.294 -0.194) 0.354 5.483 ( 0.164 -0.178 0.075) 0.254 5.483 ( 0.164 0.178 0.075) 0.254 6.414 ( 0.311 -0.114 0.224) 0.400 6.414 ( 0.311 0.114 0.224) 0.400 6.433 ( -0.311 -0.197 -0.150) 0.397 6.433 ( -0.311 0.197 -0.150) 0.397 6.679 ( 0.113 -0.268 0.157) 0.330 6.679 ( 0.113 0.268 0.157) 0.330 6.690 ( -0.102 -0.367 -0.257) 0.459 6.690 ( -0.102 0.367 -0.257) 0.459 6.760 ( -0.056 -0.289 0.255) 0.390 6.760 ( -0.056 0.289 0.255) 0.390 6.778 ( 0.194 -0.172 -0.171) 0.310 6.778 ( 0.194 0.172 -0.171) 0.310 6.896 ( -0.128 -0.140 0.330) 0.381 6.896 ( -0.128 0.140 0.330) 0.381 6.903 ( 0.215 -0.174 -0.324) 0.426 6.903 ( 0.215 0.174 -0.324) 0.426 7.213 ( 0.156 -0.247 0.234) 0.374 7.213 ( 0.156 0.247 0.234) 0.374 7.221 ( -0.213 -0.260 -0.430) 0.546 7.221 ( -0.213 0.260 -0.430) 0.546 7.287 ( -0.011 -0.113 -0.519) 0.531 7.287 ( -0.011 0.113 -0.519) 0.531 7.356 ( 0.113 -0.058 0.143) 0.191 7.356 ( 0.113 0.058 0.143) 0.191 7.577 ( -1.117 -0.782 1.407) 1.959 7.577 ( -1.117 0.782 1.407) 1.959 7.614 ( 0.978 -0.828 -1.089) 1.681 7.614 ( 0.978 0.828 -1.089) 1.681 ======================= Grid point 110 (62/69) ======================= q-point: ( 0.11 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 2.834 -1.889 -4.074) 5.310 0.737 ( 2.834 1.889 -4.074) 5.310 0.808 ( -0.890 -2.729 0.113) 2.873 0.808 ( -0.890 2.729 0.113) 2.873 0.882 ( 3.108 -2.108 6.932) 7.883 0.882 ( 3.108 2.108 6.932) 7.883 0.908 ( -1.790 -2.360 -4.021) 4.994 0.908 ( -1.790 2.360 -4.021) 4.994 1.074 ( 6.893 -5.011 -2.598) 8.909 1.074 ( 6.893 5.011 -2.598) 8.909 1.308 ( 2.589 -0.667 -1.026) 2.864 1.308 ( 2.589 0.667 -1.026) 2.864 1.372 ( -1.218 -0.762 2.006) 2.468 1.372 ( -1.218 0.762 2.006) 2.468 1.530 ( -4.177 -1.339 3.690) 5.732 1.530 ( -4.177 1.339 3.690) 5.732 1.609 ( 0.638 -0.393 -1.124) 1.351 1.609 ( 0.638 0.393 -1.124) 1.351 1.692 ( 1.100 -1.945 0.507) 2.292 1.692 ( 1.100 1.945 0.507) 2.292 1.778 ( 0.821 -2.377 -1.843) 3.118 1.778 ( 0.821 2.377 -1.843) 3.118 1.839 ( -1.630 -0.695 -0.043) 1.773 1.839 ( -1.630 0.695 -0.043) 1.773 1.914 ( 2.072 -3.098 -1.158) 3.902 1.914 ( 2.072 3.098 -1.158) 3.902 2.069 ( 0.740 -2.053 -1.164) 2.473 2.069 ( 0.740 2.053 -1.164) 2.473 2.187 ( -1.262 -2.015 0.735) 2.488 2.187 ( -1.262 2.015 0.735) 2.488 2.243 ( 0.497 -2.625 -1.151) 2.909 2.243 ( 0.497 2.625 -1.151) 2.909 2.364 ( -2.615 -2.043 0.058) 3.319 2.364 ( -2.615 2.043 0.058) 3.319 2.446 ( 2.123 -1.737 -0.330) 2.763 2.446 ( 2.123 1.737 -0.330) 2.763 2.566 ( -0.514 -2.033 0.444) 2.143 2.566 ( -0.514 2.033 0.444) 2.143 2.709 ( -1.755 -2.139 2.018) 3.425 2.709 ( -1.755 2.139 2.018) 3.425 2.762 ( -0.055 -1.366 0.071) 1.369 2.762 ( -0.055 1.366 0.071) 1.369 3.558 ( 0.433 -0.340 -0.015) 0.551 3.558 ( 0.433 0.340 -0.015) 0.551 3.617 ( 0.516 -0.111 0.043) 0.529 3.617 ( 0.516 0.111 0.043) 0.529 3.925 ( -0.538 -0.382 -0.094) 0.667 3.925 ( -0.538 0.382 -0.094) 0.667 4.027 ( -1.460 -1.248 0.072) 1.922 4.027 ( -1.460 1.248 0.072) 1.922 4.134 ( 1.757 -0.489 -0.552) 1.905 4.134 ( 1.757 0.489 -0.552) 1.905 4.170 ( -0.574 -0.598 0.868) 1.201 4.170 ( -0.574 0.598 0.868) 1.201 4.253 ( -1.056 -0.196 -0.597) 1.229 4.253 ( -1.056 0.196 -0.597) 1.229 4.312 ( -3.238 -0.991 -2.047) 3.957 4.312 ( -3.238 0.991 -2.047) 3.957 4.346 ( -1.353 -0.684 -0.549) 1.613 4.346 ( -1.353 0.684 -0.549) 1.613 4.440 ( 1.711 -0.795 1.605) 2.477 4.440 ( 1.711 0.795 1.605) 2.477 4.757 ( 0.646 -0.964 0.021) 1.161 4.757 ( 0.646 0.964 0.021) 1.161 4.812 ( 0.317 -0.670 0.066) 0.744 4.812 ( 0.317 0.670 0.066) 0.744 4.855 ( 0.270 -0.265 0.129) 0.400 4.855 ( 0.270 0.265 0.129) 0.400 5.006 ( -0.239 -0.449 -0.042) 0.510 5.006 ( -0.239 0.449 -0.042) 0.510 5.431 ( 0.232 -0.409 0.071) 0.475 5.431 ( 0.232 0.409 0.071) 0.475 5.484 ( 0.185 -0.118 -0.254) 0.336 5.484 ( 0.185 0.118 -0.254) 0.336 6.409 ( -0.638 -0.347 -0.326) 0.796 6.409 ( -0.638 0.347 -0.326) 0.796 6.437 ( 0.450 -0.151 0.314) 0.569 6.437 ( 0.450 0.151 0.314) 0.569 6.688 ( 0.945 -0.205 -0.178) 0.983 6.688 ( 0.945 0.205 -0.178) 0.983 6.698 ( 1.042 -0.284 0.187) 1.096 6.698 ( 1.042 0.284 0.187) 1.096 6.765 ( 0.433 -0.356 0.114) 0.572 6.765 ( 0.433 0.356 0.114) 0.572 6.778 ( 0.165 -0.564 -0.328) 0.673 6.778 ( 0.165 0.564 -0.328) 0.673 6.897 ( -0.115 -0.382 0.244) 0.468 6.897 ( -0.115 0.382 0.244) 0.468 6.904 ( 0.328 -0.113 -0.386) 0.519 6.904 ( 0.328 0.113 -0.386) 0.519 7.208 ( -0.695 -0.330 -0.259) 0.812 7.208 ( -0.695 0.330 -0.259) 0.812 7.215 ( -0.453 -0.219 0.379) 0.630 7.215 ( -0.453 0.219 0.379) 0.630 7.287 ( 0.392 -0.342 0.045) 0.522 7.287 ( 0.392 0.342 0.045) 0.522 7.361 ( 0.568 -0.258 -0.164) 0.645 7.361 ( 0.568 0.258 -0.164) 0.645 7.571 ( -1.456 -0.791 1.401) 2.169 7.571 ( -1.456 0.791 1.401) 2.169 7.615 ( 0.658 -0.903 -1.220) 1.655 7.615 ( 0.658 0.903 -1.220) 1.655 ======================= Grid point 112 (63/69) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -0.372 -1.408 -10.142) 10.246 0.663 ( -0.372 1.408 -10.142) 10.246 0.776 ( 3.431 -3.598 -1.010) 5.073 0.776 ( 3.431 3.598 -1.010) 5.073 0.932 ( 1.769 -2.555 4.299) 5.304 0.932 ( 1.769 2.555 4.299) 5.304 1.026 ( 2.833 -0.970 4.484) 5.392 1.026 ( 2.833 0.970 4.484) 5.392 1.194 ( 8.456 -2.921 -0.500) 8.961 1.194 ( 8.456 2.921 -0.500) 8.961 1.308 ( 0.614 -0.864 -1.630) 1.944 1.308 ( 0.614 0.864 -1.630) 1.944 1.394 ( 0.311 -2.269 2.086) 3.098 1.394 ( 0.311 2.269 2.086) 3.098 1.518 ( -1.409 -2.674 3.175) 4.383 1.518 ( -1.409 2.674 3.175) 4.383 1.599 ( -1.475 -2.733 -0.006) 3.106 1.599 ( -1.475 2.733 -0.006) 3.106 1.695 ( 0.328 -5.540 -1.595) 5.774 1.695 ( 0.328 5.540 -1.595) 5.774 1.757 ( -1.048 -1.892 0.529) 2.227 1.757 ( -1.048 1.892 0.529) 2.227 1.844 ( 2.045 -2.470 -0.335) 3.224 1.844 ( 2.045 2.470 -0.335) 3.224 1.928 ( 2.238 -1.822 -3.112) 4.244 1.928 ( 2.238 1.822 -3.112) 4.244 2.045 ( -1.236 -5.162 -1.224) 5.447 2.045 ( -1.236 5.162 -1.224) 5.447 2.164 ( -2.327 -0.993 -3.938) 4.681 2.164 ( -2.327 0.993 -3.938) 4.681 2.224 ( 0.163 -2.909 1.915) 3.487 2.224 ( 0.163 2.909 1.915) 3.487 2.358 ( -0.768 -0.555 2.834) 2.988 2.358 ( -0.768 0.555 2.834) 2.988 2.440 ( -0.619 -0.739 -3.538) 3.667 2.440 ( -0.619 0.739 -3.538) 3.667 2.561 ( -0.577 -2.530 0.065) 2.596 2.561 ( -0.577 2.530 0.065) 2.596 2.686 ( -2.899 -1.931 0.907) 3.600 2.686 ( -2.899 1.931 0.907) 3.600 2.794 ( 1.810 -1.790 1.747) 3.087 2.794 ( 1.810 1.790 1.747) 3.087 3.560 ( 0.530 -0.493 -0.985) 1.223 3.560 ( 0.530 0.493 -0.985) 1.223 3.633 ( 0.859 -0.702 0.631) 1.276 3.633 ( 0.859 0.702 0.631) 1.276 3.916 ( -0.841 -0.640 0.619) 1.225 3.916 ( -0.841 0.640 0.619) 1.225 4.007 ( -1.147 -1.595 0.170) 1.972 4.007 ( -1.147 1.595 0.170) 1.972 4.150 ( 0.349 -0.705 -0.253) 0.827 4.150 ( 0.349 0.705 -0.253) 0.827 4.163 ( -1.857 -0.357 0.196) 1.902 4.163 ( -1.857 0.357 0.196) 1.902 4.217 ( -1.498 -0.712 -2.058) 2.643 4.217 ( -1.498 0.712 -2.058) 2.643 4.241 ( -2.531 -1.128 0.529) 2.821 4.241 ( -2.531 1.128 0.529) 2.821 4.310 ( -2.010 -0.504 -0.568) 2.148 4.310 ( -2.010 0.504 -0.568) 2.148 4.482 ( 1.750 -0.897 0.267) 1.984 4.482 ( 1.750 0.897 0.267) 1.984 4.771 ( 0.868 -1.407 0.260) 1.673 4.771 ( 0.868 1.407 0.260) 1.673 4.820 ( 0.455 -0.668 0.136) 0.820 4.820 ( 0.455 0.668 0.136) 0.820 4.865 ( 0.417 -0.437 0.445) 0.750 4.865 ( 0.417 0.437 0.445) 0.750 4.996 ( -0.343 -0.771 -0.876) 1.216 4.996 ( -0.343 0.771 -0.876) 1.216 5.439 ( 0.438 -0.444 0.346) 0.713 5.439 ( 0.438 0.444 0.346) 0.713 5.483 ( 0.190 -0.024 -0.428) 0.469 5.483 ( 0.190 0.024 -0.428) 0.469 6.395 ( -0.557 -0.451 -0.174) 0.738 6.395 ( -0.557 0.451 -0.174) 0.738 6.446 ( 0.229 -0.085 0.025) 0.246 6.446 ( 0.229 0.085 0.025) 0.246 6.707 ( 1.376 -0.284 -0.064) 1.406 6.707 ( 1.376 0.284 -0.064) 1.406 6.721 ( 1.387 -0.044 0.266) 1.413 6.721 ( 1.387 0.044 0.266) 1.413 6.774 ( 0.644 -0.396 -0.616) 0.975 6.774 ( 0.644 0.396 -0.616) 0.975 6.781 ( 0.685 -0.381 0.352) 0.859 6.781 ( 0.685 0.381 0.352) 0.859 6.898 ( -0.022 -0.498 0.103) 0.509 6.898 ( -0.022 0.498 0.103) 0.509 6.905 ( 0.370 -0.135 -0.336) 0.518 6.905 ( 0.370 0.135 -0.336) 0.518 7.192 ( -0.994 -0.306 -0.174) 1.055 7.192 ( -0.994 0.306 -0.174) 1.055 7.209 ( -0.938 -0.251 0.499) 1.092 7.209 ( -0.938 0.251 0.499) 1.092 7.299 ( 0.638 -0.668 0.440) 1.023 7.299 ( 0.638 0.668 0.440) 1.023 7.369 ( 0.686 -0.264 -0.435) 0.854 7.369 ( 0.686 0.264 -0.435) 0.854 7.563 ( -1.433 -0.729 1.424) 2.148 7.563 ( -1.433 0.729 1.424) 2.148 7.609 ( 0.444 -0.818 -1.279) 1.582 7.609 ( 0.444 0.818 -1.279) 1.582 ======================= Grid point 114 (64/69) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 3.694 -3.616 1.700) 5.442 0.634 ( 3.694 3.616 1.700) 5.442 0.869 ( 7.872 -3.937 -0.496) 8.816 0.869 ( 7.872 3.937 -0.496) 8.816 1.003 ( 1.457 -2.381 3.216) 4.258 1.003 ( 1.457 2.381 3.216) 4.258 1.094 ( 1.149 -2.378 3.073) 4.052 1.094 ( 1.149 2.378 3.073) 4.052 1.250 ( 2.620 -0.753 -4.958) 5.658 1.250 ( 2.620 0.753 -4.958) 5.658 1.315 ( 1.114 -3.237 0.207) 3.429 1.315 ( 1.114 3.237 0.207) 3.429 1.404 ( -1.695 -4.154 2.073) 4.942 1.404 ( -1.695 4.154 2.073) 4.942 1.532 ( -0.975 -2.499 -2.214) 3.478 1.532 ( -0.975 2.499 -2.214) 3.478 1.636 ( 3.196 -2.057 5.398) 6.601 1.636 ( 3.196 2.057 5.398) 6.601 1.677 ( -0.797 -1.675 1.505) 2.388 1.677 ( -0.797 1.675 1.505) 2.388 1.745 ( -1.381 -2.572 -0.320) 2.936 1.745 ( -1.381 2.572 -0.320) 2.936 1.875 ( 0.699 -0.319 -3.156) 3.249 1.875 ( 0.699 0.319 -3.156) 3.249 1.916 ( 1.654 -1.738 -1.514) 2.837 1.916 ( 1.654 1.738 -1.514) 2.837 2.021 ( 0.325 -5.209 -0.715) 5.268 2.021 ( 0.325 5.209 -0.715) 5.268 2.098 ( -0.409 -3.408 -0.633) 3.490 2.098 ( -0.409 3.408 -0.633) 3.490 2.252 ( 0.129 -1.252 1.255) 1.777 2.252 ( 0.129 1.252 1.255) 1.777 2.345 ( -2.442 -1.170 -3.721) 4.602 2.345 ( -2.442 1.170 -3.721) 4.602 2.403 ( 0.818 -0.779 0.965) 1.486 2.403 ( 0.818 0.779 0.965) 1.486 2.541 ( -1.786 -1.828 -0.057) 2.557 2.541 ( -1.786 1.828 -0.057) 2.557 2.644 ( -2.077 -1.480 -1.818) 3.132 2.644 ( -2.077 1.480 -1.818) 3.132 2.815 ( -0.464 -2.494 -0.910) 2.695 2.815 ( -0.464 2.494 -0.910) 2.695 3.555 ( 0.321 -0.324 -1.107) 1.197 3.555 ( 0.321 0.324 -1.107) 1.197 3.655 ( 0.994 -0.729 0.492) 1.327 3.655 ( 0.994 0.729 0.492) 1.327 3.913 ( -0.512 -0.948 0.724) 1.298 3.913 ( -0.512 0.948 0.724) 1.298 3.992 ( -1.033 -1.378 0.066) 1.723 3.992 ( -1.033 1.378 0.066) 1.723 4.116 ( -2.402 -1.118 -0.160) 2.654 4.116 ( -2.402 1.118 -0.160) 2.654 4.141 ( -1.707 -0.861 0.774) 2.063 4.141 ( -1.707 0.861 0.774) 2.063 4.187 ( -0.523 -0.654 -0.202) 0.862 4.187 ( -0.523 0.654 -0.202) 0.862 4.228 ( -1.241 -0.251 0.693) 1.444 4.228 ( -1.241 0.251 0.693) 1.444 4.289 ( 0.319 -1.559 0.361) 1.632 4.289 ( 0.319 1.559 0.361) 1.632 4.496 ( 0.759 -1.120 -1.653) 2.136 4.496 ( 0.759 1.120 -1.653) 2.136 4.790 ( 0.775 -1.399 0.570) 1.698 4.790 ( 0.775 1.399 0.570) 1.698 4.827 ( 0.281 -0.758 0.018) 0.808 4.827 ( 0.281 0.758 0.018) 0.808 4.876 ( 0.228 -0.185 0.540) 0.615 4.876 ( 0.228 0.185 0.540) 0.615 4.976 ( -0.359 -0.668 -1.602) 1.773 4.976 ( -0.359 0.668 -1.602) 1.773 5.452 ( 0.392 -0.424 0.556) 0.801 5.452 ( 0.392 0.424 0.556) 0.801 5.482 ( 0.236 -0.045 -0.466) 0.524 5.482 ( 0.236 0.045 -0.466) 0.524 6.389 ( -0.195 -0.490 0.236) 0.578 6.389 ( -0.195 0.490 0.236) 0.578 6.444 ( -0.123 -0.141 -0.490) 0.525 6.444 ( -0.123 0.141 -0.490) 0.525 6.725 ( 0.920 -0.560 -0.013) 1.077 6.725 ( 0.920 0.560 -0.013) 1.077 6.744 ( 0.834 -0.485 0.177) 0.981 6.744 ( 0.834 0.485 0.177) 0.981 6.781 ( 1.032 -0.416 -0.123) 1.119 6.781 ( 1.032 0.416 -0.123) 1.119 6.802 ( 1.091 -0.493 0.306) 1.236 6.802 ( 1.091 0.493 0.306) 1.236 6.900 ( 0.051 -0.516 0.131) 0.534 6.900 ( 0.051 0.516 0.131) 0.534 6.908 ( 0.393 -0.188 -0.346) 0.556 6.908 ( 0.393 0.188 -0.346) 0.556 7.173 ( -1.039 -0.237 -0.166) 1.079 7.173 ( -1.039 0.237 -0.166) 1.079 7.198 ( -1.023 -0.207 0.397) 1.117 7.198 ( -1.023 0.207 0.397) 1.117 7.315 ( 0.584 -0.791 0.667) 1.188 7.315 ( 0.584 0.791 0.667) 1.188 7.372 ( 0.474 -0.125 -0.696) 0.851 7.372 ( 0.474 0.125 -0.696) 0.851 7.558 ( -1.160 -0.688 1.410) 1.951 7.558 ( -1.160 0.688 1.410) 1.951 7.603 ( 0.504 -0.641 -1.143) 1.404 7.603 ( 0.504 0.641 -1.143) 1.404 ======================= Grid point 116 (65/69) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 5.251 -3.117 7.512) 9.681 0.779 ( 5.251 3.117 7.512) 9.681 0.977 ( 3.097 -4.157 0.145) 5.186 0.977 ( 3.097 4.157 0.145) 5.186 1.032 ( -0.066 -3.576 1.238) 3.785 1.032 ( -0.066 3.576 1.238) 3.785 1.144 ( 0.777 -3.436 2.314) 4.215 1.144 ( 0.777 3.436 2.314) 4.215 1.231 ( 1.887 -0.311 -2.450) 3.108 1.231 ( 1.887 0.311 -2.450) 3.108 1.337 ( 0.139 -3.659 1.280) 3.879 1.337 ( 0.139 3.659 1.280) 3.879 1.404 ( -0.174 -1.277 -1.261) 1.803 1.404 ( -0.174 1.277 -1.261) 1.803 1.511 ( 3.014 -1.624 -1.253) 3.646 1.511 ( 3.014 1.624 -1.253) 3.646 1.597 ( -6.588 -0.998 1.042) 6.744 1.597 ( -6.588 0.998 1.042) 6.744 1.700 ( -0.893 -1.117 -2.497) 2.878 1.700 ( -0.893 1.117 -2.497) 2.878 1.730 ( -1.609 -1.096 -0.826) 2.114 1.730 ( -1.609 1.096 -0.826) 2.114 1.889 ( 3.320 -4.435 1.061) 5.640 1.889 ( 3.320 4.435 1.061) 5.640 1.924 ( 0.389 -1.590 0.911) 1.874 1.924 ( 0.389 1.590 0.911) 1.874 2.026 ( 1.103 -1.942 0.085) 2.236 2.026 ( 1.103 1.942 0.085) 2.236 2.159 ( 3.169 -1.607 3.878) 5.260 2.159 ( 3.169 1.607 3.878) 5.260 2.218 ( -2.491 -1.966 -3.982) 5.091 2.218 ( -2.491 1.966 -3.982) 5.091 2.306 ( 2.148 -3.355 0.293) 3.994 2.306 ( 2.148 3.355 0.293) 3.994 2.434 ( 0.493 -1.724 0.681) 1.918 2.434 ( 0.493 1.724 0.681) 1.918 2.509 ( -1.631 -1.127 -0.875) 2.167 2.509 ( -1.631 1.127 -0.875) 2.167 2.560 ( -3.390 -0.860 -4.342) 5.575 2.560 ( -3.390 0.860 -4.342) 5.575 2.774 ( -1.312 -2.188 -2.065) 3.283 2.774 ( -1.312 2.188 -2.065) 3.283 3.546 ( 0.025 -0.076 -0.839) 0.843 3.546 ( 0.025 0.076 -0.839) 0.843 3.672 ( 0.549 -0.406 0.096) 0.690 3.672 ( 0.549 0.406 0.096) 0.690 3.915 ( 0.114 -0.960 0.137) 0.976 3.915 ( 0.114 0.960 0.137) 0.976 3.975 ( -0.775 -0.960 -0.063) 1.235 3.975 ( -0.775 0.960 -0.063) 1.235 4.097 ( -0.814 -0.646 0.848) 1.342 4.097 ( -0.814 0.646 0.848) 1.342 4.117 ( -1.215 -0.572 0.119) 1.348 4.117 ( -1.215 0.572 0.119) 1.348 4.186 ( -0.412 -0.521 0.302) 0.730 4.186 ( -0.412 0.521 0.302) 0.730 4.236 ( 1.139 -0.484 1.785) 2.172 4.236 ( 1.139 0.484 1.785) 2.172 4.317 ( 1.136 -1.966 1.854) 2.931 4.317 ( 1.136 1.966 1.854) 2.931 4.464 ( -0.900 -1.632 -3.714) 4.156 4.464 ( -0.900 1.632 -3.714) 4.156 4.807 ( 0.358 -0.899 0.615) 1.146 4.807 ( 0.358 0.899 0.615) 1.146 4.830 ( 0.060 -0.610 -0.018) 0.613 4.830 ( 0.060 0.610 -0.018) 0.613 4.886 ( 0.069 -0.620 0.898) 1.093 4.886 ( 0.069 0.620 0.898) 1.093 4.950 ( -0.294 -0.544 -1.976) 2.070 4.950 ( -0.294 0.544 -1.976) 2.070 5.463 ( 0.032 -0.412 0.666) 0.784 5.463 ( 0.032 0.412 0.666) 0.784 5.481 ( 0.300 -0.036 -0.543) 0.622 5.481 ( 0.300 0.036 -0.543) 0.622 6.394 ( 0.194 -0.450 0.657) 0.820 6.394 ( 0.194 0.450 0.657) 0.820 6.432 ( -0.332 -0.259 -0.889) 0.983 6.432 ( -0.332 0.259 -0.889) 0.983 6.737 ( 0.464 -0.786 0.142) 0.923 6.737 ( 0.464 0.786 0.142) 0.923 6.749 ( -0.055 -0.791 -0.163) 0.809 6.749 ( -0.055 0.791 -0.163) 0.809 6.802 ( 0.909 -0.202 0.445) 1.032 6.802 ( 0.909 0.202 0.445) 1.032 6.817 ( 0.375 -0.461 0.040) 0.596 6.817 ( 0.375 0.461 0.040) 0.596 6.902 ( -0.178 -0.588 0.322) 0.694 6.902 ( -0.178 0.588 0.322) 0.694 6.910 ( 0.469 -0.349 -0.489) 0.762 6.910 ( 0.469 0.349 -0.489) 0.762 7.158 ( -0.466 -0.127 -0.142) 0.503 7.158 ( -0.466 0.127 -0.142) 0.503 7.187 ( -0.543 -0.085 0.216) 0.590 7.187 ( -0.543 0.085 0.216) 0.590 7.331 ( 0.265 -0.589 0.802) 1.029 7.331 ( 0.265 0.589 0.802) 1.029 7.368 ( 0.122 -0.119 -0.860) 0.877 7.368 ( 0.122 0.119 -0.860) 0.877 7.557 ( -0.857 -0.678 1.280) 1.683 7.557 ( -0.857 0.678 1.280) 1.683 7.600 ( 0.643 -0.526 -0.969) 1.277 7.600 ( 0.643 0.526 -0.969) 1.277 ======================= Grid point 118 (66/69) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -3.811 -3.581 0.259) 5.236 0.870 ( -3.811 3.581 0.259) 5.236 0.965 ( -0.292 -1.609 0.566) 1.730 0.965 ( -0.292 1.609 0.566) 1.730 1.054 ( -0.169 -4.006 -0.670) 4.065 1.054 ( -0.169 4.006 -0.670) 4.065 1.138 ( -3.816 -4.214 2.928) 6.395 1.138 ( -3.816 4.214 2.928) 6.395 1.253 ( 0.790 -7.168 -2.835) 7.749 1.253 ( 0.790 7.168 -2.835) 7.749 1.339 ( -0.143 -1.732 0.882) 1.949 1.339 ( -0.143 1.732 0.882) 1.949 1.388 ( 1.064 -1.372 -0.667) 1.860 1.388 ( 1.064 1.372 -0.667) 1.860 1.494 ( -4.403 -1.004 0.406) 4.535 1.494 ( -4.403 1.004 0.406) 4.535 1.585 ( 3.249 -1.391 1.348) 3.783 1.585 ( 3.249 1.391 1.348) 3.783 1.667 ( 1.783 -2.576 -1.540) 3.491 1.667 ( 1.783 2.576 -1.540) 3.491 1.747 ( 4.072 -1.276 -0.830) 4.347 1.747 ( 4.072 1.276 -0.830) 4.347 1.888 ( -3.714 -3.426 2.826) 5.790 1.888 ( -3.714 3.426 2.826) 5.790 1.930 ( -0.229 -3.976 -1.080) 4.126 1.930 ( -0.229 3.976 -1.080) 4.126 2.064 ( -4.182 -3.412 -0.668) 5.438 2.064 ( -4.182 3.412 -0.668) 5.438 2.113 ( 1.222 -2.285 -0.276) 2.606 2.113 ( 1.222 2.285 -0.276) 2.606 2.268 ( 3.247 -1.853 -0.008) 3.739 2.268 ( 3.247 1.853 -0.008) 3.739 2.330 ( -4.860 -5.164 -3.191) 7.776 2.330 ( -4.860 5.164 -3.191) 7.776 2.413 ( 4.250 -4.387 2.047) 6.442 2.413 ( 4.250 4.387 2.047) 6.442 2.484 ( -0.264 -1.907 0.127) 1.929 2.484 ( -0.264 1.907 0.127) 1.929 2.525 ( 2.103 -1.177 -0.804) 2.541 2.525 ( 2.103 1.177 -0.804) 2.541 2.750 ( -0.006 -0.276 0.102) 0.294 2.750 ( -0.006 0.276 0.102) 0.294 3.538 ( -0.196 -0.131 -0.192) 0.304 3.538 ( -0.196 0.131 -0.192) 0.304 3.674 ( -0.250 -0.821 -0.127) 0.868 3.674 ( -0.250 0.821 -0.127) 0.868 3.920 ( 0.765 -0.713 -0.476) 1.149 3.920 ( 0.765 0.713 -0.476) 1.149 3.972 ( 0.295 -0.407 0.291) 0.581 3.972 ( 0.295 0.407 0.291) 0.581 4.092 ( -0.621 -0.514 1.017) 1.298 4.092 ( -0.621 0.514 1.017) 1.298 4.127 ( 2.363 -0.635 -0.572) 2.513 4.127 ( 2.363 0.635 -0.572) 2.513 4.188 ( 0.780 -0.289 -0.069) 0.834 4.188 ( 0.780 0.289 -0.069) 0.834 4.263 ( -0.200 -0.284 -0.040) 0.350 4.263 ( -0.200 0.284 -0.040) 0.350 4.365 ( 0.600 -0.626 0.869) 1.228 4.365 ( 0.600 0.626 0.869) 1.228 4.399 ( -0.933 -0.665 -1.382) 1.795 4.399 ( -0.933 0.665 -1.382) 1.795 4.811 ( -0.393 -0.449 0.185) 0.625 4.811 ( -0.393 0.449 0.185) 0.625 4.829 ( -0.089 -0.307 0.034) 0.322 4.829 ( -0.089 0.307 0.034) 0.322 4.899 ( -0.018 -0.208 0.880) 0.904 4.899 ( -0.018 0.208 0.880) 0.904 4.928 ( 0.115 -0.174 -1.124) 1.144 4.928 ( 0.115 0.174 -1.124) 1.144 5.467 ( -0.395 -0.313 0.596) 0.781 5.467 ( -0.395 0.313 0.596) 0.781 5.478 ( 0.250 -0.069 -0.654) 0.703 5.478 ( 0.250 0.069 -0.654) 0.703 6.406 ( 0.147 -0.112 0.181) 0.259 6.406 ( 0.147 0.112 0.181) 0.259 6.419 ( -0.005 -0.065 -0.259) 0.267 6.419 ( -0.005 0.065 -0.259) 0.267 6.740 ( -0.557 -0.675 -0.046) 0.877 6.740 ( -0.557 0.675 -0.046) 0.877 6.746 ( 0.037 -0.860 0.103) 0.867 6.746 ( 0.037 0.860 0.103) 0.867 6.808 ( -0.890 -0.167 -0.017) 0.905 6.808 ( -0.890 0.167 -0.017) 0.905 6.816 ( -0.143 -0.239 0.023) 0.279 6.816 ( -0.143 0.239 0.023) 0.279 6.900 ( -0.430 -0.485 0.325) 0.725 6.900 ( -0.430 0.485 0.325) 0.725 6.911 ( 0.329 -0.408 -0.480) 0.710 6.911 ( 0.329 0.408 -0.480) 0.710 7.157 ( 0.500 -0.117 -0.055) 0.516 7.157 ( 0.500 0.117 -0.055) 0.516 7.188 ( 0.419 -0.135 0.144) 0.464 7.188 ( 0.419 0.135 0.144) 0.464 7.339 ( -0.291 -0.110 0.478) 0.570 7.339 ( -0.291 0.110 0.478) 0.570 7.359 ( -0.065 -0.342 -0.504) 0.612 7.359 ( -0.065 0.342 -0.504) 0.612 7.558 ( -0.641 -0.644 1.175) 1.485 7.558 ( -0.641 0.644 1.175) 1.485 7.600 ( 0.705 -0.506 -1.014) 1.334 7.600 ( 0.705 0.506 -1.014) 1.334 ======================= Grid point 120 (67/69) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -8.510 -6.138 -4.678) 11.489 0.727 ( -8.510 6.138 -4.678) 11.489 0.865 ( -9.161 -4.028 -1.992) 10.204 0.865 ( -9.161 4.028 -1.992) 10.204 1.050 ( -0.007 -3.396 -0.409) 3.421 1.050 ( -0.007 3.396 -0.409) 3.421 1.126 ( -1.443 -0.821 1.310) 2.114 1.126 ( -1.443 0.821 1.310) 2.114 1.205 ( -1.982 -4.950 -0.511) 5.356 1.205 ( -1.982 4.950 -0.511) 5.356 1.335 ( 0.024 -2.156 -2.453) 3.266 1.335 ( 0.024 2.156 -2.453) 3.266 1.427 ( 2.912 -3.614 0.198) 4.646 1.427 ( 2.912 3.614 0.198) 4.646 1.484 ( 1.600 -1.168 1.548) 2.514 1.484 ( 1.600 1.168 1.548) 2.514 1.636 ( -1.378 -2.465 4.184) 5.048 1.636 ( -1.378 2.465 4.184) 5.048 1.703 ( 0.871 -3.331 -0.850) 3.547 1.703 ( 0.871 3.331 -0.850) 3.547 1.786 ( 1.477 -1.379 -0.915) 2.218 1.786 ( 1.477 1.379 -0.915) 2.218 1.837 ( -3.996 -2.130 -1.343) 4.723 1.837 ( -3.996 2.130 -1.343) 4.723 1.903 ( -1.302 -2.191 0.410) 2.581 1.903 ( -1.302 2.191 0.410) 2.581 1.993 ( -0.733 -1.455 0.231) 1.646 1.993 ( -0.733 1.455 0.231) 1.646 2.129 ( -2.642 -3.359 -2.399) 4.901 2.129 ( -2.642 3.359 -2.399) 4.901 2.210 ( 1.059 -1.210 2.564) 3.027 2.210 ( 1.059 1.210 2.564) 3.027 2.335 ( 1.979 -2.870 -2.112) 4.076 2.335 ( 1.979 2.870 -2.112) 4.076 2.448 ( 0.959 -0.703 -1.990) 2.319 2.448 ( 0.959 0.703 -1.990) 2.319 2.532 ( 2.523 -1.263 1.269) 3.093 2.532 ( 2.523 1.263 1.269) 3.093 2.585 ( 3.343 -0.581 2.810) 4.406 2.585 ( 3.343 0.581 2.810) 4.406 2.778 ( 1.452 -1.940 2.228) 3.292 2.778 ( 1.452 1.940 2.228) 3.292 3.536 ( -0.412 -0.270 0.534) 0.727 3.536 ( -0.412 0.270 0.534) 0.727 3.663 ( -0.649 -1.597 -0.286) 1.747 3.663 ( -0.649 1.597 -0.286) 1.747 3.929 ( 1.252 -1.019 -0.866) 1.832 3.929 ( 1.252 1.019 -0.866) 1.832 3.989 ( 1.084 -0.331 0.419) 1.209 3.989 ( 1.084 0.331 0.419) 1.209 4.109 ( 1.392 -0.747 0.840) 1.789 4.109 ( 1.392 0.747 0.840) 1.789 4.161 ( 2.117 -0.286 -0.896) 2.316 4.161 ( 2.117 0.286 -0.896) 2.316 4.202 ( 0.199 -0.423 -1.121) 1.214 4.202 ( 0.199 0.423 -1.121) 1.214 4.242 ( 0.934 -0.487 -1.081) 1.509 4.242 ( 0.934 0.487 -1.081) 1.509 4.314 ( -1.466 -1.861 -2.318) 3.314 4.314 ( -1.466 1.861 -2.318) 3.314 4.444 ( 0.682 -1.482 3.231) 3.619 4.444 ( 0.682 1.482 3.231) 3.619 4.799 ( -1.036 -1.206 -0.202) 1.603 4.799 ( -1.036 1.206 -0.202) 1.603 4.827 ( -0.181 -0.238 0.017) 0.300 4.827 ( -0.181 0.238 0.017) 0.300 4.894 ( -0.026 -0.170 -1.086) 1.099 4.894 ( -0.026 0.170 -1.086) 1.099 4.939 ( 0.426 -0.541 1.639) 1.778 4.939 ( 0.426 0.541 1.639) 1.778 5.462 ( -0.584 -0.057 -0.077) 0.591 5.462 ( -0.584 0.057 -0.077) 0.591 5.476 ( 0.043 -0.256 -0.173) 0.312 5.476 ( 0.043 0.256 -0.173) 0.312 6.399 ( -0.045 -0.307 -0.678) 0.745 6.399 ( -0.045 0.307 -0.678) 0.745 6.430 ( 0.398 -0.278 0.781) 0.919 6.430 ( 0.398 0.278 0.781) 0.919 6.725 ( -1.037 -0.483 -0.024) 1.144 6.725 ( -1.037 0.483 -0.024) 1.144 6.745 ( -0.516 -0.841 0.110) 0.993 6.745 ( -0.516 0.841 0.110) 0.993 6.783 ( -1.578 -0.140 -0.251) 1.603 6.783 ( -1.578 0.140 -0.251) 1.603 6.807 ( -0.860 -0.329 -0.184) 0.939 6.807 ( -0.860 0.329 -0.184) 0.939 6.896 ( -0.384 -0.309 0.250) 0.552 6.896 ( -0.384 0.309 0.250) 0.552 6.910 ( 0.058 -0.450 -0.356) 0.577 6.910 ( 0.058 0.450 -0.356) 0.577 7.171 ( 1.135 -0.287 0.015) 1.171 7.171 ( 1.135 0.287 0.015) 1.171 7.202 ( 1.028 -0.231 0.009) 1.054 7.202 ( 1.028 0.231 0.009) 1.054 7.331 ( -0.514 -0.487 -0.595) 0.924 7.331 ( -0.514 0.487 -0.595) 0.924 7.357 ( -0.363 -0.271 0.537) 0.703 7.357 ( -0.363 0.271 0.537) 0.703 7.563 ( -0.511 -0.586 1.219) 1.446 7.563 ( -0.511 0.586 1.219) 1.446 7.600 ( 0.838 -0.513 -1.158) 1.519 7.600 ( 0.838 0.513 -1.158) 1.519 ======================= Grid point 122 (68/69) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -6.670 -6.165 -1.068) 9.146 0.549 ( -6.670 6.165 -1.068) 9.146 0.730 ( -6.539 -6.360 2.728) 9.521 0.730 ( -6.539 6.360 2.728) 9.521 1.018 ( -1.187 -1.269 -2.526) 3.066 1.018 ( -1.187 1.269 -2.526) 3.066 1.113 ( 0.497 -1.148 -3.625) 3.835 1.113 ( 0.497 1.148 -3.625) 3.835 1.183 ( -3.005 -3.643 2.353) 5.276 1.183 ( -3.005 3.643 2.353) 5.276 1.290 ( -2.106 -0.632 -2.514) 3.340 1.290 ( -2.106 0.632 -2.514) 3.340 1.445 ( -0.287 -4.107 -1.717) 4.461 1.445 ( -0.287 4.107 -1.717) 4.461 1.539 ( 1.530 -2.801 0.730) 3.274 1.539 ( 1.530 2.801 0.730) 3.274 1.600 ( -2.762 -3.780 -0.418) 4.700 1.600 ( -2.762 3.780 -0.418) 4.700 1.672 ( -2.284 -5.935 1.238) 6.478 1.672 ( -2.284 5.935 1.238) 6.478 1.773 ( 0.118 -1.994 -0.092) 2.000 1.773 ( 0.118 1.994 -0.092) 2.000 1.842 ( -0.326 -0.668 4.017) 4.085 1.842 ( -0.326 0.668 4.017) 4.085 1.864 ( -1.173 -2.343 -2.300) 3.486 1.864 ( -1.173 2.343 -2.300) 3.486 2.014 ( 0.504 -0.475 1.247) 1.426 2.014 ( 0.504 0.475 1.247) 1.426 2.114 ( 2.542 -3.312 0.380) 4.192 2.114 ( 2.542 3.312 0.380) 4.192 2.263 ( 0.198 -0.860 0.415) 0.975 2.263 ( 0.198 0.860 0.415) 0.975 2.350 ( 1.763 -2.519 2.090) 3.717 2.350 ( 1.763 2.519 2.090) 3.717 2.435 ( 1.397 -1.083 -3.484) 3.907 2.435 ( 1.397 1.083 -3.484) 3.907 2.563 ( 0.573 -2.528 -0.263) 2.606 2.563 ( 0.573 2.528 -0.263) 2.606 2.665 ( 3.091 -0.833 2.319) 3.953 2.665 ( 3.091 0.833 2.319) 3.953 2.816 ( 0.383 -2.626 0.314) 2.672 2.816 ( 0.383 2.626 0.314) 2.672 3.536 ( -0.597 -0.509 0.991) 1.265 3.536 ( -0.597 0.509 0.991) 1.265 3.648 ( -0.565 -1.923 -0.645) 2.106 3.648 ( -0.565 1.923 -0.645) 2.106 3.938 ( 1.373 -0.806 -1.358) 2.093 3.938 ( 1.373 0.806 -1.358) 2.093 4.010 ( 1.094 -0.601 0.054) 1.250 4.010 ( 1.094 0.601 0.054) 1.250 4.149 ( 1.076 -0.411 -0.358) 1.206 4.149 ( 1.076 0.411 -0.358) 1.206 4.161 ( 1.037 -0.226 0.463) 1.158 4.161 ( 1.037 0.226 0.463) 1.158 4.192 ( 0.235 -0.580 -0.033) 0.626 4.192 ( 0.235 0.580 -0.033) 0.626 4.262 ( 0.694 -1.278 -1.144) 1.850 4.262 ( 0.694 1.278 -1.144) 1.850 4.303 ( 2.501 -0.994 0.091) 2.693 4.303 ( 2.501 0.994 0.091) 2.693 4.470 ( -0.628 -0.824 1.312) 1.672 4.470 ( -0.628 0.824 1.312) 1.672 4.778 ( -1.099 -1.298 -0.266) 1.721 4.778 ( -1.099 1.298 -0.266) 1.721 4.823 ( -0.343 -0.447 -0.122) 0.576 4.823 ( -0.343 0.447 -0.122) 0.576 4.881 ( -0.111 -0.437 -1.132) 1.218 4.881 ( -0.111 0.437 -1.132) 1.218 4.966 ( 0.380 -0.538 1.862) 1.975 4.966 ( 0.380 0.538 1.862) 1.975 5.449 ( -0.544 -0.117 -0.447) 0.714 5.449 ( -0.544 0.117 -0.447) 0.714 5.476 ( -0.048 -0.284 0.208) 0.355 5.476 ( -0.048 0.284 0.208) 0.355 6.395 ( 0.291 -0.278 -0.216) 0.457 6.395 ( 0.291 0.278 -0.216) 0.457 6.442 ( 0.100 -0.101 0.404) 0.428 6.442 ( 0.100 0.101 0.404) 0.428 6.706 ( -1.347 -0.200 0.026) 1.362 6.706 ( -1.347 0.200 0.026) 1.362 6.726 ( -1.463 -0.441 -0.233) 1.546 6.726 ( -1.463 0.441 -0.233) 1.546 6.764 ( -0.709 -0.478 0.283) 0.901 6.764 ( -0.709 0.478 0.283) 0.901 6.789 ( -0.783 -0.378 -0.369) 0.944 6.789 ( -0.783 0.378 -0.369) 0.944 6.894 ( -0.236 -0.110 0.259) 0.367 6.894 ( -0.236 0.110 0.259) 0.367 6.906 ( -0.018 -0.392 -0.243) 0.462 6.906 ( -0.018 0.392 -0.243) 0.462 7.190 ( 1.082 -0.289 0.017) 1.120 7.190 ( 1.082 0.289 0.017) 1.120 7.217 ( 0.930 -0.254 -0.256) 0.998 7.217 ( 0.930 0.254 -0.256) 0.998 7.314 ( -0.401 -0.689 -0.951) 1.241 7.314 ( -0.401 0.689 -0.951) 1.241 7.356 ( -0.602 -0.113 0.707) 0.936 7.356 ( -0.602 0.113 0.707) 0.936 7.569 ( -0.475 -0.585 1.329) 1.528 7.569 ( -0.475 0.585 1.329) 1.528 7.603 ( 1.059 -0.548 -1.151) 1.657 7.603 ( 1.059 0.548 -1.151) 1.657 ======================= Grid point 124 (69/69) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -1.642 -5.908 9.272) 11.116 0.532 ( -1.642 5.908 9.272) 11.116 0.728 ( -0.490 -6.457 4.627) 7.958 0.728 ( -0.490 6.457 4.627) 7.958 0.975 ( 0.389 -1.754 -3.815) 4.217 0.975 ( 0.389 1.754 -3.815) 4.217 1.021 ( -3.703 -5.305 -5.469) 8.472 1.021 ( -3.703 5.305 -5.469) 8.472 1.125 ( -2.510 -1.939 -4.447) 5.462 1.125 ( -2.510 1.939 -4.447) 5.462 1.254 ( -1.320 -2.036 1.615) 2.915 1.254 ( -1.320 2.036 1.615) 2.915 1.408 ( -1.858 -4.137 -0.521) 4.565 1.408 ( -1.858 4.137 -0.521) 4.565 1.530 ( -2.763 -1.515 2.818) 4.227 1.530 ( -2.763 1.515 2.818) 4.227 1.605 ( 3.083 -1.917 -1.191) 3.821 1.605 ( 3.083 1.917 -1.191) 3.821 1.681 ( 0.345 -4.456 1.179) 4.623 1.681 ( 0.345 4.456 1.179) 4.623 1.786 ( 0.097 -3.798 -2.489) 4.542 1.786 ( 0.097 3.798 -2.489) 4.542 1.827 ( 0.588 -1.871 1.491) 2.463 1.827 ( 0.588 1.871 1.491) 2.463 1.880 ( -0.487 -1.484 2.508) 2.954 1.880 ( -0.487 1.484 2.508) 2.954 2.030 ( -0.554 -1.898 2.060) 2.855 2.030 ( -0.554 1.898 2.060) 2.855 2.166 ( 1.687 -1.773 1.426) 2.833 2.166 ( 1.687 1.773 1.426) 2.833 2.244 ( -0.231 -3.245 -1.551) 3.604 2.244 ( -0.231 3.245 -1.551) 3.604 2.403 ( 0.724 -1.426 0.795) 1.786 2.403 ( 0.724 1.426 0.795) 1.786 2.426 ( 1.456 -1.992 -1.580) 2.930 2.426 ( 1.456 1.992 -1.580) 2.930 2.562 ( -0.046 -2.813 0.316) 2.831 2.562 ( -0.046 2.813 0.316) 2.831 2.731 ( 2.186 -1.069 1.211) 2.718 2.731 ( 2.186 1.069 1.211) 2.718 2.787 ( -1.431 -3.154 -2.998) 4.581 2.787 ( -1.431 3.154 -2.998) 4.581 3.540 ( -0.488 -0.606 1.235) 1.460 3.540 ( -0.488 0.606 1.235) 1.460 3.631 ( -0.372 -1.582 -0.961) 1.888 3.631 ( -0.372 1.582 -0.961) 1.888 3.941 ( 0.937 -0.393 -1.520) 1.828 3.941 ( 0.937 0.393 -1.520) 1.828 4.028 ( 1.214 -0.457 0.044) 1.298 4.028 ( 1.214 0.457 0.044) 1.298 4.134 ( -0.960 -0.515 -0.505) 1.201 4.134 ( -0.960 0.515 -0.505) 1.201 4.183 ( -0.187 -0.554 -0.505) 0.772 4.183 ( -0.187 0.554 -0.505) 0.772 4.222 ( 1.678 -1.764 2.481) 3.476 4.222 ( 1.678 1.764 2.481) 3.476 4.279 ( 2.061 -0.556 0.821) 2.288 4.279 ( 2.061 0.556 0.821) 2.288 4.346 ( 2.097 -0.854 -0.352) 2.292 4.346 ( 2.097 0.854 -0.352) 2.292 4.460 ( -1.142 -0.591 -0.286) 1.317 4.460 ( -1.142 0.591 -0.286) 1.317 4.760 ( -0.678 -0.959 -0.228) 1.196 4.760 ( -0.678 0.959 -0.228) 1.196 4.814 ( -0.438 -0.423 -0.157) 0.629 4.814 ( -0.438 0.423 -0.157) 0.629 4.866 ( -0.133 -0.698 -0.930) 1.170 4.866 ( -0.133 0.698 -0.930) 1.170 4.990 ( 0.247 -0.635 1.415) 1.570 4.990 ( 0.247 0.635 1.415) 1.570 5.437 ( -0.315 -0.197 -0.393) 0.541 5.437 ( -0.315 0.197 -0.393) 0.541 5.479 ( 0.039 -0.224 0.271) 0.354 5.479 ( 0.039 0.224 0.271) 0.354 6.403 ( 0.555 -0.224 0.224) 0.639 6.403 ( 0.555 0.224 0.224) 0.639 6.441 ( -0.319 -0.133 -0.082) 0.356 6.441 ( -0.319 0.133 -0.082) 0.356 6.685 ( -1.037 -0.182 0.073) 1.055 6.685 ( -1.037 0.182 0.073) 1.055 6.703 ( -1.007 -0.117 -0.254) 1.045 6.703 ( -1.007 0.117 -0.254) 1.045 6.760 ( -0.371 -0.334 0.419) 0.652 6.760 ( -0.371 0.334 0.419) 0.652 6.778 ( -0.115 -0.274 -0.219) 0.369 6.778 ( -0.115 0.274 -0.219) 0.369 6.895 ( -0.138 -0.032 0.318) 0.348 6.895 ( -0.138 0.032 0.318) 0.348 6.904 ( 0.072 -0.291 -0.242) 0.385 6.904 ( 0.072 0.291 -0.242) 0.385 7.205 ( 0.675 -0.244 0.067) 0.721 7.205 ( 0.675 0.244 0.067) 0.721 7.224 ( 0.398 -0.265 -0.436) 0.647 7.224 ( 0.398 0.265 -0.436) 0.647 7.298 ( -0.259 -0.540 -0.933) 1.108 7.298 ( -0.259 0.540 -0.933) 1.108 7.355 ( -0.406 -0.126 0.492) 0.650 7.355 ( -0.406 0.126 0.492) 0.650 7.575 ( -0.673 -0.684 1.388) 1.688 7.575 ( -0.673 0.684 1.388) 1.688 7.608 ( 1.140 -0.665 -1.053) 1.688 7.608 ( 1.140 0.665 -1.053) 1.688 =================== 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 3/18360 10.0 8.316 5.678 5.840 0.000 0.521 0.000 3/18360 20.0 2.240 1.479 1.617 0.000 0.064 0.000 3/18360 30.0 1.293 0.857 0.945 0.000 0.026 0.000 3/18360 40.0 0.928 0.618 0.687 0.000 0.021 0.000 3/18360 50.0 0.732 0.487 0.548 0.000 0.020 0.000 3/18360 60.0 0.609 0.404 0.459 0.000 0.019 0.000 3/18360 70.0 0.523 0.346 0.397 0.000 0.017 0.000 3/18360 80.0 0.460 0.302 0.350 0.000 0.016 0.000 3/18360 90.0 0.411 0.269 0.314 0.000 0.015 0.000 3/18360 100.0 0.372 0.243 0.285 0.000 0.013 0.000 3/18360 110.0 0.340 0.221 0.260 0.000 0.012 0.000 3/18360 120.0 0.313 0.203 0.240 0.000 0.011 0.000 3/18360 130.0 0.290 0.187 0.223 0.000 0.011 0.000 3/18360 140.0 0.270 0.174 0.208 0.000 0.010 0.000 3/18360 150.0 0.253 0.163 0.194 0.000 0.009 0.000 3/18360 160.0 0.237 0.153 0.183 0.000 0.009 0.000 3/18360 170.0 0.224 0.144 0.173 0.000 0.008 0.000 3/18360 180.0 0.212 0.136 0.163 0.000 0.008 0.000 3/18360 190.0 0.201 0.129 0.155 0.000 0.007 0.000 3/18360 200.0 0.191 0.122 0.148 0.000 0.007 0.000 3/18360 210.0 0.183 0.117 0.141 0.000 0.006 0.000 3/18360 220.0 0.174 0.111 0.135 0.000 0.006 0.000 3/18360 230.0 0.167 0.107 0.129 0.000 0.006 0.000 3/18360 240.0 0.160 0.102 0.124 0.000 0.006 0.000 3/18360 250.0 0.154 0.098 0.119 0.000 0.005 0.000 3/18360 260.0 0.148 0.094 0.114 0.000 0.005 0.000 3/18360 270.0 0.143 0.091 0.110 0.000 0.005 0.000 3/18360 280.0 0.138 0.088 0.106 0.000 0.005 0.000 3/18360 290.0 0.133 0.085 0.103 0.000 0.005 0.000 3/18360 300.0 0.129 0.082 0.099 0.000 0.004 0.000 3/18360 310.0 0.125 0.079 0.096 0.000 0.004 0.000 3/18360 320.0 0.121 0.077 0.093 0.000 0.004 0.000 3/18360 330.0 0.117 0.074 0.091 0.000 0.004 0.000 3/18360 340.0 0.114 0.072 0.088 0.000 0.004 0.000 3/18360 350.0 0.111 0.070 0.085 0.000 0.004 0.000 3/18360 360.0 0.108 0.068 0.083 0.000 0.004 0.000 3/18360 370.0 0.105 0.066 0.081 0.000 0.004 0.000 3/18360 380.0 0.102 0.065 0.079 0.000 0.003 0.000 3/18360 390.0 0.099 0.063 0.077 0.000 0.003 0.000 3/18360 400.0 0.097 0.061 0.075 0.000 0.003 0.000 3/18360 410.0 0.095 0.060 0.073 0.000 0.003 0.000 3/18360 420.0 0.092 0.059 0.071 0.000 0.003 0.000 3/18360 430.0 0.090 0.057 0.070 0.000 0.003 0.000 3/18360 440.0 0.088 0.056 0.068 0.000 0.003 0.000 3/18360 450.0 0.086 0.055 0.067 0.000 0.003 0.000 3/18360 460.0 0.084 0.053 0.065 0.000 0.003 0.000 3/18360 470.0 0.083 0.052 0.064 0.000 0.003 0.000 3/18360 480.0 0.081 0.051 0.062 0.000 0.003 0.000 3/18360 490.0 0.079 0.050 0.061 0.000 0.003 0.000 3/18360 500.0 0.078 0.049 0.060 0.000 0.003 0.000 3/18360 510.0 0.076 0.048 0.059 0.000 0.003 0.000 3/18360 520.0 0.075 0.047 0.058 0.000 0.003 0.000 3/18360 530.0 0.073 0.046 0.057 0.000 0.002 0.000 3/18360 540.0 0.072 0.046 0.056 0.000 0.002 0.000 3/18360 550.0 0.071 0.045 0.055 0.000 0.002 0.000 3/18360 560.0 0.069 0.044 0.054 0.000 0.002 0.000 3/18360 570.0 0.068 0.043 0.053 0.000 0.002 0.000 3/18360 580.0 0.067 0.042 0.052 0.000 0.002 0.000 3/18360 590.0 0.066 0.042 0.051 0.000 0.002 0.000 3/18360 600.0 0.065 0.041 0.050 0.000 0.002 0.000 3/18360 610.0 0.064 0.040 0.049 0.000 0.002 0.000 3/18360 620.0 0.063 0.040 0.048 0.000 0.002 0.000 3/18360 630.0 0.062 0.039 0.048 0.000 0.002 0.000 3/18360 640.0 0.061 0.038 0.047 0.000 0.002 0.000 3/18360 650.0 0.060 0.038 0.046 0.000 0.002 0.000 3/18360 660.0 0.059 0.037 0.046 0.000 0.002 0.000 3/18360 670.0 0.058 0.037 0.045 0.000 0.002 0.000 3/18360 680.0 0.057 0.036 0.044 0.000 0.002 0.000 3/18360 690.0 0.056 0.036 0.044 0.000 0.002 0.000 3/18360 700.0 0.056 0.035 0.043 0.000 0.002 0.000 3/18360 710.0 0.055 0.035 0.042 0.000 0.002 0.000 3/18360 720.0 0.054 0.034 0.042 0.000 0.002 0.000 3/18360 730.0 0.053 0.034 0.041 0.000 0.002 0.000 3/18360 740.0 0.053 0.033 0.041 0.000 0.002 0.000 3/18360 750.0 0.052 0.033 0.040 0.000 0.002 0.000 3/18360 760.0 0.051 0.032 0.040 0.000 0.002 0.000 3/18360 770.0 0.050 0.032 0.039 0.000 0.002 0.000 3/18360 780.0 0.050 0.032 0.039 0.000 0.002 0.000 3/18360 790.0 0.049 0.031 0.038 0.000 0.002 0.000 3/18360 800.0 0.049 0.031 0.038 0.000 0.002 0.000 3/18360 810.0 0.048 0.030 0.037 0.000 0.002 0.000 3/18360 820.0 0.047 0.030 0.037 0.000 0.002 0.000 3/18360 830.0 0.047 0.030 0.036 0.000 0.002 0.000 3/18360 840.0 0.046 0.029 0.036 0.000 0.002 0.000 3/18360 850.0 0.046 0.029 0.035 0.000 0.002 0.000 3/18360 860.0 0.045 0.029 0.035 0.000 0.002 0.000 3/18360 870.0 0.045 0.028 0.035 0.000 0.001 0.000 3/18360 880.0 0.044 0.028 0.034 0.000 0.001 0.000 3/18360 890.0 0.044 0.028 0.034 0.000 0.001 0.000 3/18360 900.0 0.043 0.027 0.033 0.000 0.001 0.000 3/18360 910.0 0.043 0.027 0.033 0.000 0.001 0.000 3/18360 920.0 0.042 0.027 0.033 0.000 0.001 0.000 3/18360 930.0 0.042 0.026 0.032 0.000 0.001 0.000 3/18360 940.0 0.041 0.026 0.032 0.000 0.001 0.000 3/18360 950.0 0.041 0.026 0.032 0.000 0.001 0.000 3/18360 960.0 0.041 0.026 0.031 0.000 0.001 0.000 3/18360 970.0 0.040 0.025 0.031 0.000 0.001 0.000 3/18360 980.0 0.040 0.025 0.031 0.000 0.001 0.000 3/18360 990.0 0.039 0.025 0.030 0.000 0.001 0.000 3/18360 1000.0 0.039 0.025 0.030 0.000 0.001 0.000 3/18360 Thermal conductivity related properties were written into "kappa-m945.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:47:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|