----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:10:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.919371109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.672326089999999 Atomic positions (fractional): *1 Be 0.25072300672112 0.66863269625106 0.51799290367924 9.012 2 Be 0.24927699327888 0.33136730374894 0.01799290367924 9.012 3 Be 0.74927699327888 0.66863269625106 0.51799290367924 9.012 4 Be 0.75072300672112 0.33136730374894 0.01799290367924 9.012 *5 O 0.00000000000000 0.27860959337117 0.41759926805231 15.999 6 O 0.50000000000000 0.72139040662883 0.91759926805231 15.999 *7 O 0.63247221294478 0.77104211798696 0.37327409197412 15.999 8 O 0.86752778705522 0.22895788201304 0.87327409197412 15.999 9 O 0.36752778705522 0.77104211798696 0.37327409197412 15.999 10 O 0.13247221294478 0.22895788201304 0.87327409197412 15.999 *11 O 0.63822250316430 0.14744027974357 0.96095136039390 15.999 12 O 0.86177749683570 0.85255972025643 0.46095136039390 15.999 13 O 0.13822250316430 0.85255972025643 0.46095136039390 15.999 14 O 0.36177749683570 0.14744027974357 0.96095136039390 15.999 *15 O 0.77551198286840 0.36565537684470 0.36889795066620 15.999 16 O 0.72448801713160 0.63434462315531 0.86889795066620 15.999 17 O 0.27551198286840 0.63434462315531 0.86889795066620 15.999 18 O 0.22448801713160 0.36565537684470 0.36889795066620 15.999 *19 Si 0.37156265638364 0.82567331783845 0.03115997650350 28.085 20 Si 0.12843734361636 0.17432668216155 0.53115997650350 28.085 21 Si 0.87156265638364 0.17432668216155 0.53115997650350 28.085 22 Si 0.62843734361636 0.82567331783845 0.03115997650350 28.085 *23 Ba 0.00000000000000 0.70233240344890 0.00824814551377 137.327 24 Ba 0.50000000000000 0.29766759655110 0.50824814551377 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.919371109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.672326089999999 Atomic positions (fractional): *1 Be 0.25072300672112 0.66863269625106 0.51799290367924 9.012 > 1 2 Be 0.24927699327888 0.33136730374894 0.01799290367924 9.012 > 2 3 Be 0.74927699327888 0.66863269625106 0.51799290367924 9.012 > 3 4 Be 0.75072300672112 0.33136730374894 0.01799290367924 9.012 > 4 *5 O 0.00000000000000 0.27860959337117 0.41759926805231 15.999 > 5 6 O 0.50000000000000 0.72139040662883 0.91759926805231 15.999 > 6 *7 O 0.63247221294478 0.77104211798696 0.37327409197412 15.999 > 7 8 O 0.86752778705522 0.22895788201304 0.87327409197412 15.999 > 8 9 O 0.36752778705522 0.77104211798696 0.37327409197412 15.999 > 9 10 O 0.13247221294478 0.22895788201304 0.87327409197412 15.999 > 10 *11 O 0.63822250316430 0.14744027974357 0.96095136039390 15.999 > 11 12 O 0.86177749683570 0.85255972025643 0.46095136039390 15.999 > 12 13 O 0.13822250316430 0.85255972025643 0.46095136039390 15.999 > 13 14 O 0.36177749683570 0.14744027974357 0.96095136039390 15.999 > 14 *15 O 0.77551198286840 0.36565537684470 0.36889795066620 15.999 > 15 16 O 0.72448801713160 0.63434462315531 0.86889795066620 15.999 > 16 17 O 0.27551198286840 0.63434462315531 0.86889795066620 15.999 > 17 18 O 0.22448801713160 0.36565537684470 0.36889795066620 15.999 > 18 *19 Si 0.37156265638364 0.82567331783845 0.03115997650350 28.085 > 19 20 Si 0.12843734361636 0.17432668216155 0.53115997650350 28.085 > 20 21 Si 0.87156265638364 0.17432668216155 0.53115997650350 28.085 > 21 22 Si 0.62843734361636 0.82567331783845 0.03115997650350 28.085 > 22 *23 Ba 0.00000000000000 0.70233240344890 0.00824814551377 137.327 > 23 24 Ba 0.50000000000000 0.29766759655110 0.50824814551377 137.327 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.838742219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.016978269999999 Atomic positions (fractional): *1 Be 0.25072300672112 0.33431634812553 0.17266430122641 9.012 > 1 2 Be 0.25072300672112 0.83431634812553 0.17266430122641 9.012 > 1 3 Be 0.25072300672112 0.33431634812553 0.50599763455975 9.012 > 1 4 Be 0.25072300672112 0.83431634812553 0.50599763455975 9.012 > 1 5 Be 0.25072300672112 0.33431634812553 0.83933096789308 9.012 > 1 6 Be 0.25072300672112 0.83431634812553 0.83933096789308 9.012 > 1 7 Be 0.24927699327888 0.16568365187447 0.00599763455975 9.012 > 2 8 Be 0.24927699327888 0.66568365187447 0.00599763455975 9.012 > 2 9 Be 0.24927699327888 0.16568365187447 0.33933096789308 9.012 > 2 10 Be 0.24927699327888 0.66568365187447 0.33933096789308 9.012 > 2 11 Be 0.24927699327888 0.16568365187447 0.67266430122641 9.012 > 2 12 Be 0.24927699327888 0.66568365187447 0.67266430122641 9.012 > 2 13 Be 0.74927699327888 0.33431634812553 0.17266430122641 9.012 > 3 14 Be 0.74927699327888 0.83431634812553 0.17266430122641 9.012 > 3 15 Be 0.74927699327888 0.33431634812553 0.50599763455975 9.012 > 3 16 Be 0.74927699327888 0.83431634812553 0.50599763455975 9.012 > 3 17 Be 0.74927699327888 0.33431634812553 0.83933096789308 9.012 > 3 18 Be 0.74927699327888 0.83431634812553 0.83933096789308 9.012 > 3 19 Be 0.75072300672112 0.16568365187447 0.00599763455975 9.012 > 4 20 Be 0.75072300672112 0.66568365187447 0.00599763455975 9.012 > 4 21 Be 0.75072300672112 0.16568365187447 0.33933096789308 9.012 > 4 22 Be 0.75072300672112 0.66568365187447 0.33933096789308 9.012 > 4 23 Be 0.75072300672112 0.16568365187447 0.67266430122641 9.012 > 4 24 Be 0.75072300672112 0.66568365187447 0.67266430122641 9.012 > 4 *25 O 0.00000000000000 0.13930479668558 0.13919975601744 15.999 > 5 26 O 0.00000000000000 0.63930479668558 0.13919975601744 15.999 > 5 27 O 0.00000000000000 0.13930479668558 0.47253308935077 15.999 > 5 28 O 0.00000000000000 0.63930479668558 0.47253308935077 15.999 > 5 29 O 0.00000000000000 0.13930479668558 0.80586642268410 15.999 > 5 30 O 0.00000000000000 0.63930479668558 0.80586642268410 15.999 > 5 31 O 0.50000000000000 0.36069520331442 0.30586642268410 15.999 > 6 32 O 0.50000000000000 0.86069520331442 0.30586642268410 15.999 > 6 33 O 0.50000000000000 0.36069520331442 0.63919975601744 15.999 > 6 34 O 0.50000000000000 0.86069520331442 0.63919975601744 15.999 > 6 35 O 0.50000000000000 0.36069520331442 0.97253308935077 15.999 > 6 36 O 0.50000000000000 0.86069520331442 0.97253308935077 15.999 > 6 *37 O 0.63247221294478 0.38552105899348 0.12442469732471 15.999 > 7 38 O 0.63247221294478 0.88552105899348 0.12442469732471 15.999 > 7 39 O 0.63247221294478 0.38552105899348 0.45775803065804 15.999 > 7 40 O 0.63247221294478 0.88552105899348 0.45775803065804 15.999 > 7 41 O 0.63247221294478 0.38552105899348 0.79109136399137 15.999 > 7 42 O 0.63247221294478 0.88552105899348 0.79109136399137 15.999 > 7 43 O 0.86752778705522 0.11447894100652 0.29109136399137 15.999 > 8 44 O 0.86752778705522 0.61447894100652 0.29109136399137 15.999 > 8 45 O 0.86752778705522 0.11447894100652 0.62442469732471 15.999 > 8 46 O 0.86752778705522 0.61447894100652 0.62442469732471 15.999 > 8 47 O 0.86752778705522 0.11447894100652 0.95775803065804 15.999 > 8 48 O 0.86752778705522 0.61447894100652 0.95775803065804 15.999 > 8 49 O 0.36752778705522 0.38552105899348 0.12442469732471 15.999 > 9 50 O 0.36752778705522 0.88552105899348 0.12442469732471 15.999 > 9 51 O 0.36752778705522 0.38552105899348 0.45775803065804 15.999 > 9 52 O 0.36752778705522 0.88552105899348 0.45775803065804 15.999 > 9 53 O 0.36752778705522 0.38552105899348 0.79109136399137 15.999 > 9 54 O 0.36752778705522 0.88552105899348 0.79109136399137 15.999 > 9 55 O 0.13247221294478 0.11447894100652 0.29109136399137 15.999 > 10 56 O 0.13247221294478 0.61447894100652 0.29109136399137 15.999 > 10 57 O 0.13247221294478 0.11447894100652 0.62442469732471 15.999 > 10 58 O 0.13247221294478 0.61447894100652 0.62442469732471 15.999 > 10 59 O 0.13247221294478 0.11447894100652 0.95775803065804 15.999 > 10 60 O 0.13247221294478 0.61447894100652 0.95775803065804 15.999 > 10 *61 O 0.63822250316430 0.07372013987178 0.32031712013130 15.999 > 11 62 O 0.63822250316430 0.57372013987178 0.32031712013130 15.999 > 11 63 O 0.63822250316430 0.07372013987178 0.65365045346463 15.999 > 11 64 O 0.63822250316430 0.57372013987178 0.65365045346463 15.999 > 11 65 O 0.63822250316430 0.07372013987178 0.98698378679797 15.999 > 11 66 O 0.63822250316430 0.57372013987178 0.98698378679797 15.999 > 11 67 O 0.86177749683570 0.42627986012822 0.15365045346463 15.999 > 12 68 O 0.86177749683570 0.92627986012822 0.15365045346463 15.999 > 12 69 O 0.86177749683570 0.42627986012822 0.48698378679797 15.999 > 12 70 O 0.86177749683570 0.92627986012822 0.48698378679797 15.999 > 12 71 O 0.86177749683570 0.42627986012822 0.82031712013130 15.999 > 12 72 O 0.86177749683570 0.92627986012822 0.82031712013130 15.999 > 12 73 O 0.13822250316430 0.42627986012822 0.15365045346463 15.999 > 13 74 O 0.13822250316430 0.92627986012822 0.15365045346463 15.999 > 13 75 O 0.13822250316430 0.42627986012822 0.48698378679797 15.999 > 13 76 O 0.13822250316430 0.92627986012822 0.48698378679797 15.999 > 13 77 O 0.13822250316430 0.42627986012822 0.82031712013130 15.999 > 13 78 O 0.13822250316430 0.92627986012822 0.82031712013130 15.999 > 13 79 O 0.36177749683570 0.07372013987178 0.32031712013130 15.999 > 14 80 O 0.36177749683570 0.57372013987178 0.32031712013130 15.999 > 14 81 O 0.36177749683570 0.07372013987178 0.65365045346463 15.999 > 14 82 O 0.36177749683570 0.57372013987178 0.65365045346463 15.999 > 14 83 O 0.36177749683570 0.07372013987178 0.98698378679797 15.999 > 14 84 O 0.36177749683570 0.57372013987178 0.98698378679797 15.999 > 14 *85 O 0.77551198286840 0.18282768842235 0.12296598355540 15.999 > 15 86 O 0.77551198286840 0.68282768842235 0.12296598355540 15.999 > 15 87 O 0.77551198286840 0.18282768842235 0.45629931688873 15.999 > 15 88 O 0.77551198286840 0.68282768842235 0.45629931688873 15.999 > 15 89 O 0.77551198286840 0.18282768842235 0.78963265022207 15.999 > 15 90 O 0.77551198286840 0.68282768842235 0.78963265022207 15.999 > 15 91 O 0.72448801713160 0.31717231157765 0.28963265022207 15.999 > 16 92 O 0.72448801713160 0.81717231157765 0.28963265022207 15.999 > 16 93 O 0.72448801713160 0.31717231157765 0.62296598355540 15.999 > 16 94 O 0.72448801713160 0.81717231157765 0.62296598355540 15.999 > 16 95 O 0.72448801713160 0.31717231157765 0.95629931688873 15.999 > 16 96 O 0.72448801713160 0.81717231157765 0.95629931688873 15.999 > 16 97 O 0.27551198286840 0.31717231157765 0.28963265022207 15.999 > 17 98 O 0.27551198286840 0.81717231157765 0.28963265022207 15.999 > 17 99 O 0.27551198286840 0.31717231157765 0.62296598355540 15.999 > 17 100 O 0.27551198286840 0.81717231157765 0.62296598355540 15.999 > 17 101 O 0.27551198286840 0.31717231157765 0.95629931688873 15.999 > 17 102 O 0.27551198286840 0.81717231157765 0.95629931688873 15.999 > 17 103 O 0.22448801713160 0.18282768842235 0.12296598355540 15.999 > 18 104 O 0.22448801713160 0.68282768842235 0.12296598355540 15.999 > 18 105 O 0.22448801713160 0.18282768842235 0.45629931688873 15.999 > 18 106 O 0.22448801713160 0.68282768842235 0.45629931688873 15.999 > 18 107 O 0.22448801713160 0.18282768842235 0.78963265022207 15.999 > 18 108 O 0.22448801713160 0.68282768842235 0.78963265022207 15.999 > 18 *109 Si 0.37156265638364 0.41283665891923 0.01038665883450 28.085 > 19 110 Si 0.37156265638364 0.91283665891923 0.01038665883450 28.085 > 19 111 Si 0.37156265638364 0.41283665891923 0.34371999216783 28.085 > 19 112 Si 0.37156265638364 0.91283665891923 0.34371999216783 28.085 > 19 113 Si 0.37156265638364 0.41283665891923 0.67705332550117 28.085 > 19 114 Si 0.37156265638364 0.91283665891923 0.67705332550117 28.085 > 19 115 Si 0.12843734361636 0.08716334108077 0.17705332550117 28.085 > 20 116 Si 0.12843734361636 0.58716334108077 0.17705332550117 28.085 > 20 117 Si 0.12843734361636 0.08716334108077 0.51038665883450 28.085 > 20 118 Si 0.12843734361636 0.58716334108077 0.51038665883450 28.085 > 20 119 Si 0.12843734361636 0.08716334108077 0.84371999216783 28.085 > 20 120 Si 0.12843734361636 0.58716334108077 0.84371999216783 28.085 > 20 121 Si 0.87156265638364 0.08716334108077 0.17705332550117 28.085 > 21 122 Si 0.87156265638364 0.58716334108077 0.17705332550117 28.085 > 21 123 Si 0.87156265638364 0.08716334108077 0.51038665883450 28.085 > 21 124 Si 0.87156265638364 0.58716334108077 0.51038665883450 28.085 > 21 125 Si 0.87156265638364 0.08716334108077 0.84371999216783 28.085 > 21 126 Si 0.87156265638364 0.58716334108077 0.84371999216783 28.085 > 21 127 Si 0.62843734361636 0.41283665891923 0.01038665883450 28.085 > 22 128 Si 0.62843734361636 0.91283665891923 0.01038665883450 28.085 > 22 129 Si 0.62843734361636 0.41283665891923 0.34371999216783 28.085 > 22 130 Si 0.62843734361636 0.91283665891923 0.34371999216783 28.085 > 22 131 Si 0.62843734361636 0.41283665891923 0.67705332550117 28.085 > 22 132 Si 0.62843734361636 0.91283665891923 0.67705332550117 28.085 > 22 *133 Ba 0.00000000000000 0.35116620172445 0.00274938183792 137.327 > 23 134 Ba 0.00000000000000 0.85116620172445 0.00274938183792 137.327 > 23 135 Ba 0.00000000000000 0.35116620172445 0.33608271517126 137.327 > 23 136 Ba 0.00000000000000 0.85116620172445 0.33608271517126 137.327 > 23 137 Ba 0.00000000000000 0.35116620172445 0.66941604850459 137.327 > 23 138 Ba 0.00000000000000 0.85116620172445 0.66941604850459 137.327 > 23 139 Ba 0.50000000000000 0.14883379827555 0.16941604850459 137.327 > 24 140 Ba 0.50000000000000 0.64883379827555 0.16941604850459 137.327 > 24 141 Ba 0.50000000000000 0.14883379827555 0.50274938183792 137.327 > 24 142 Ba 0.50000000000000 0.64883379827555 0.50274938183792 137.327 > 24 143 Ba 0.50000000000000 0.14883379827555 0.83608271517126 137.327 > 24 144 Ba 0.50000000000000 0.64883379827555 0.83608271517126 137.327 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0735690 0.0000000 0.0000000 0.0000000 3.1168146 0.0000000 0.0000000 0.0000000 3.1020815 -------------------------- Born effective charges -------------------------- 1 Be 1.9031737 0.0139578 0.0960794 -0.1226440 1.8538899 0.0396983 -0.1255766 -0.0711221 1.8851588 2 Be 1.9031737 0.0139578 -0.0960794 -0.1226440 1.8538899 -0.0396983 0.1255766 0.0711221 1.8851588 3 Be 1.9031737 -0.0139578 -0.0960794 0.1226440 1.8538899 0.0396983 0.1255766 -0.0711221 1.8851588 4 Be 1.9031737 -0.0139578 0.0960794 0.1226440 1.8538899 -0.0396983 -0.1255766 0.0711221 1.8851588 5 O -2.6046178 0.0000000 0.0000000 0.0000000 -1.4403141 0.2042188 0.0000000 0.1748051 -1.4275000 6 O -2.6046178 0.0000000 0.0000000 0.0000000 -1.4403141 -0.2042188 0.0000000 -0.1748051 -1.4275000 7 O -1.7126116 0.0952464 -0.2160539 0.0742336 -1.5740485 0.2265420 -0.2425102 0.2688121 -2.0811545 8 O -1.7126116 0.0952464 0.2160539 0.0742336 -1.5740485 -0.2265420 0.2425102 -0.2688121 -2.0811545 9 O -1.7126116 -0.0952464 0.2160539 -0.0742336 -1.5740485 0.2265420 0.2425102 0.2688121 -2.0811545 10 O -1.7126116 -0.0952464 -0.2160539 -0.0742336 -1.5740485 -0.2265420 -0.2425102 -0.2688121 -2.0811545 11 O -1.7374420 -0.2638715 -0.1414181 -0.3054456 -2.1603583 0.1828651 -0.0877452 0.1317816 -1.5492003 12 O -1.7374420 -0.2638715 0.1414181 -0.3054456 -2.1603583 -0.1828651 0.0877452 -0.1317816 -1.5492003 13 O -1.7374420 0.2638715 -0.1414181 0.3054456 -2.1603583 -0.1828651 -0.0877452 -0.1317816 -1.5492003 14 O -1.7374420 0.2638715 0.1414181 0.3054456 -2.1603583 0.1828651 0.0877452 0.1317816 -1.5492003 15 O -1.6333647 0.4253562 -0.3032680 0.3337375 -1.8356853 -0.0287407 -0.2893364 0.0376708 -1.9415117 16 O -1.6333647 0.4253562 0.3032680 0.3337375 -1.8356853 0.0287407 0.2893364 -0.0376708 -1.9415117 17 O -1.6333647 -0.4253562 -0.3032680 -0.3337375 -1.8356853 0.0287407 -0.2893364 -0.0376708 -1.9415117 18 O -1.6333647 -0.4253562 0.3032680 -0.3337375 -1.8356853 -0.0287407 0.2893364 0.0376708 -1.9415117 19 Si 3.1489599 0.0365320 -0.0871189 0.0453890 3.0213214 -0.0558499 0.0208544 -0.0491663 3.0302234 20 Si 3.1489599 0.0365320 0.0871189 0.0453890 3.0213214 0.0558499 -0.0208544 0.0491663 3.0302234 21 Si 3.1489599 -0.0365320 -0.0871189 -0.0453890 3.0213214 0.0558499 0.0208544 0.0491663 3.0302234 22 Si 3.1489599 -0.0365320 0.0871189 -0.0453890 3.0213214 -0.0558499 -0.0208544 -0.0491663 3.0302234 23 Ba 2.6671873 0.0000000 0.0000000 0.0000000 2.8300757 0.0670157 0.0000000 0.0575072 2.7404687 24 Ba 2.6671873 0.0000000 0.0000000 0.0000000 2.8300757 -0.0670157 0.0000000 -0.0575072 2.7404687 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3972 Number of blocks in projector: 3972 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 374 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 468 Use standard eigh solver. Tree of FC basis block matrices: - (3972, 3917), data: False |-- (468, 461), data: True |-- (468, 461), data: True |-- (468, 461), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 14), data: (888, 28) @ (28, 14) |-- (388, 374), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.252 Solver_block: 200 / 720 - Time: 1.188 Solver_block: 300 / 720 - Time: 1.196 Solver_block: 400 / 720 - Time: 1.195 Solver_block: 500 / 720 - Time: 1.193 Solver_block: 600 / 720 - Time: 1.199 Solver_block: 700 / 720 - Time: 1.200 Solver_block: 720 / 720 - Time: 0.353 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.989 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3972 Number of blocks in projector: 3972 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 374 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 468 Use standard eigh solver. Tree of FC basis block matrices: - (3972, 3917), data: False |-- (468, 461), data: True |-- (468, 461), data: True |-- (468, 461), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 14), data: (888, 28) @ (28, 14) |-- (388, 374), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:10:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.919371109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.672326089999999 Atomic positions (fractional): 1 Be 0.25072300672112 0.66863269625106 0.51799290367924 9.012 2 Be 0.24927699327888 0.33136730374894 0.01799290367924 9.012 3 Be 0.74927699327888 0.66863269625106 0.51799290367924 9.012 4 Be 0.75072300672112 0.33136730374894 0.01799290367924 9.012 5 O 0.00000000000000 0.27860959337117 0.41759926805231 15.999 6 O 0.50000000000000 0.72139040662883 0.91759926805231 15.999 7 O 0.63247221294478 0.77104211798696 0.37327409197412 15.999 8 O 0.86752778705522 0.22895788201304 0.87327409197412 15.999 9 O 0.36752778705522 0.77104211798696 0.37327409197412 15.999 10 O 0.13247221294478 0.22895788201304 0.87327409197412 15.999 11 O 0.63822250316430 0.14744027974357 0.96095136039390 15.999 12 O 0.86177749683570 0.85255972025643 0.46095136039390 15.999 13 O 0.13822250316430 0.85255972025643 0.46095136039390 15.999 14 O 0.36177749683570 0.14744027974357 0.96095136039390 15.999 15 O 0.77551198286840 0.36565537684470 0.36889795066620 15.999 16 O 0.72448801713160 0.63434462315531 0.86889795066620 15.999 17 O 0.27551198286840 0.63434462315531 0.86889795066620 15.999 18 O 0.22448801713160 0.36565537684470 0.36889795066620 15.999 19 Si 0.37156265638364 0.82567331783845 0.03115997650350 28.085 20 Si 0.12843734361636 0.17432668216155 0.53115997650350 28.085 21 Si 0.87156265638364 0.17432668216155 0.53115997650350 28.085 22 Si 0.62843734361636 0.82567331783845 0.03115997650350 28.085 23 Ba 0.00000000000000 0.70233240344890 0.00824814551377 137.327 24 Ba 0.50000000000000 0.29766759655110 0.50824814551377 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.838742219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.016978269999999 Atomic positions (fractional): 1 Be 0.25072300672112 0.33431634812553 0.17266430122641 9.012 > 1 2 Be 0.25072300672112 0.83431634812553 0.17266430122641 9.012 > 1 3 Be 0.25072300672112 0.33431634812553 0.50599763455975 9.012 > 1 4 Be 0.25072300672112 0.83431634812553 0.50599763455975 9.012 > 1 5 Be 0.25072300672112 0.33431634812553 0.83933096789308 9.012 > 1 6 Be 0.25072300672112 0.83431634812553 0.83933096789308 9.012 > 1 7 Be 0.24927699327888 0.16568365187447 0.00599763455975 9.012 > 7 8 Be 0.24927699327888 0.66568365187447 0.00599763455975 9.012 > 7 9 Be 0.24927699327888 0.16568365187447 0.33933096789308 9.012 > 7 10 Be 0.24927699327888 0.66568365187447 0.33933096789308 9.012 > 7 11 Be 0.24927699327888 0.16568365187447 0.67266430122641 9.012 > 7 12 Be 0.24927699327888 0.66568365187447 0.67266430122641 9.012 > 7 13 Be 0.74927699327888 0.33431634812553 0.17266430122641 9.012 > 13 14 Be 0.74927699327888 0.83431634812553 0.17266430122641 9.012 > 13 15 Be 0.74927699327888 0.33431634812553 0.50599763455975 9.012 > 13 16 Be 0.74927699327888 0.83431634812553 0.50599763455975 9.012 > 13 17 Be 0.74927699327888 0.33431634812553 0.83933096789308 9.012 > 13 18 Be 0.74927699327888 0.83431634812553 0.83933096789308 9.012 > 13 19 Be 0.75072300672112 0.16568365187447 0.00599763455975 9.012 > 19 20 Be 0.75072300672112 0.66568365187447 0.00599763455975 9.012 > 19 21 Be 0.75072300672112 0.16568365187447 0.33933096789308 9.012 > 19 22 Be 0.75072300672112 0.66568365187447 0.33933096789308 9.012 > 19 23 Be 0.75072300672112 0.16568365187447 0.67266430122641 9.012 > 19 24 Be 0.75072300672112 0.66568365187447 0.67266430122641 9.012 > 19 25 O 0.00000000000000 0.13930479668558 0.13919975601744 15.999 > 25 26 O 0.00000000000000 0.63930479668558 0.13919975601744 15.999 > 25 27 O 0.00000000000000 0.13930479668558 0.47253308935077 15.999 > 25 28 O 0.00000000000000 0.63930479668558 0.47253308935077 15.999 > 25 29 O 0.00000000000000 0.13930479668558 0.80586642268410 15.999 > 25 30 O 0.00000000000000 0.63930479668558 0.80586642268410 15.999 > 25 31 O 0.50000000000000 0.36069520331442 0.30586642268410 15.999 > 31 32 O 0.50000000000000 0.86069520331442 0.30586642268410 15.999 > 31 33 O 0.50000000000000 0.36069520331442 0.63919975601744 15.999 > 31 34 O 0.50000000000000 0.86069520331442 0.63919975601744 15.999 > 31 35 O 0.50000000000000 0.36069520331442 0.97253308935077 15.999 > 31 36 O 0.50000000000000 0.86069520331442 0.97253308935077 15.999 > 31 37 O 0.63247221294478 0.38552105899348 0.12442469732471 15.999 > 37 38 O 0.63247221294478 0.88552105899348 0.12442469732471 15.999 > 37 39 O 0.63247221294478 0.38552105899348 0.45775803065804 15.999 > 37 40 O 0.63247221294478 0.88552105899348 0.45775803065804 15.999 > 37 41 O 0.63247221294478 0.38552105899348 0.79109136399137 15.999 > 37 42 O 0.63247221294478 0.88552105899348 0.79109136399137 15.999 > 37 43 O 0.86752778705522 0.11447894100652 0.29109136399137 15.999 > 43 44 O 0.86752778705522 0.61447894100652 0.29109136399137 15.999 > 43 45 O 0.86752778705522 0.11447894100652 0.62442469732471 15.999 > 43 46 O 0.86752778705522 0.61447894100652 0.62442469732471 15.999 > 43 47 O 0.86752778705522 0.11447894100652 0.95775803065804 15.999 > 43 48 O 0.86752778705522 0.61447894100652 0.95775803065804 15.999 > 43 49 O 0.36752778705522 0.38552105899348 0.12442469732471 15.999 > 49 50 O 0.36752778705522 0.88552105899348 0.12442469732471 15.999 > 49 51 O 0.36752778705522 0.38552105899348 0.45775803065804 15.999 > 49 52 O 0.36752778705522 0.88552105899348 0.45775803065804 15.999 > 49 53 O 0.36752778705522 0.38552105899348 0.79109136399137 15.999 > 49 54 O 0.36752778705522 0.88552105899348 0.79109136399137 15.999 > 49 55 O 0.13247221294478 0.11447894100652 0.29109136399137 15.999 > 55 56 O 0.13247221294478 0.61447894100652 0.29109136399137 15.999 > 55 57 O 0.13247221294478 0.11447894100652 0.62442469732471 15.999 > 55 58 O 0.13247221294478 0.61447894100652 0.62442469732471 15.999 > 55 59 O 0.13247221294478 0.11447894100652 0.95775803065804 15.999 > 55 60 O 0.13247221294478 0.61447894100652 0.95775803065804 15.999 > 55 61 O 0.63822250316430 0.07372013987178 0.32031712013130 15.999 > 61 62 O 0.63822250316430 0.57372013987178 0.32031712013130 15.999 > 61 63 O 0.63822250316430 0.07372013987178 0.65365045346463 15.999 > 61 64 O 0.63822250316430 0.57372013987178 0.65365045346463 15.999 > 61 65 O 0.63822250316430 0.07372013987178 0.98698378679797 15.999 > 61 66 O 0.63822250316430 0.57372013987178 0.98698378679797 15.999 > 61 67 O 0.86177749683570 0.42627986012822 0.15365045346463 15.999 > 67 68 O 0.86177749683570 0.92627986012822 0.15365045346463 15.999 > 67 69 O 0.86177749683570 0.42627986012822 0.48698378679797 15.999 > 67 70 O 0.86177749683570 0.92627986012822 0.48698378679797 15.999 > 67 71 O 0.86177749683570 0.42627986012822 0.82031712013130 15.999 > 67 72 O 0.86177749683570 0.92627986012822 0.82031712013130 15.999 > 67 73 O 0.13822250316430 0.42627986012822 0.15365045346463 15.999 > 73 74 O 0.13822250316430 0.92627986012822 0.15365045346463 15.999 > 73 75 O 0.13822250316430 0.42627986012822 0.48698378679797 15.999 > 73 76 O 0.13822250316430 0.92627986012822 0.48698378679797 15.999 > 73 77 O 0.13822250316430 0.42627986012822 0.82031712013130 15.999 > 73 78 O 0.13822250316430 0.92627986012822 0.82031712013130 15.999 > 73 79 O 0.36177749683570 0.07372013987178 0.32031712013130 15.999 > 79 80 O 0.36177749683570 0.57372013987178 0.32031712013130 15.999 > 79 81 O 0.36177749683570 0.07372013987178 0.65365045346463 15.999 > 79 82 O 0.36177749683570 0.57372013987178 0.65365045346463 15.999 > 79 83 O 0.36177749683570 0.07372013987178 0.98698378679797 15.999 > 79 84 O 0.36177749683570 0.57372013987178 0.98698378679797 15.999 > 79 85 O 0.77551198286840 0.18282768842235 0.12296598355540 15.999 > 85 86 O 0.77551198286840 0.68282768842235 0.12296598355540 15.999 > 85 87 O 0.77551198286840 0.18282768842235 0.45629931688873 15.999 > 85 88 O 0.77551198286840 0.68282768842235 0.45629931688873 15.999 > 85 89 O 0.77551198286840 0.18282768842235 0.78963265022207 15.999 > 85 90 O 0.77551198286840 0.68282768842235 0.78963265022207 15.999 > 85 91 O 0.72448801713160 0.31717231157765 0.28963265022207 15.999 > 91 92 O 0.72448801713160 0.81717231157765 0.28963265022207 15.999 > 91 93 O 0.72448801713160 0.31717231157765 0.62296598355540 15.999 > 91 94 O 0.72448801713160 0.81717231157765 0.62296598355540 15.999 > 91 95 O 0.72448801713160 0.31717231157765 0.95629931688873 15.999 > 91 96 O 0.72448801713160 0.81717231157765 0.95629931688873 15.999 > 91 97 O 0.27551198286840 0.31717231157765 0.28963265022207 15.999 > 97 98 O 0.27551198286840 0.81717231157765 0.28963265022207 15.999 > 97 99 O 0.27551198286840 0.31717231157765 0.62296598355540 15.999 > 97 100 O 0.27551198286840 0.81717231157765 0.62296598355540 15.999 > 97 101 O 0.27551198286840 0.31717231157765 0.95629931688873 15.999 > 97 102 O 0.27551198286840 0.81717231157765 0.95629931688873 15.999 > 97 103 O 0.22448801713160 0.18282768842235 0.12296598355540 15.999 > 103 104 O 0.22448801713160 0.68282768842235 0.12296598355540 15.999 > 103 105 O 0.22448801713160 0.18282768842235 0.45629931688873 15.999 > 103 106 O 0.22448801713160 0.68282768842235 0.45629931688873 15.999 > 103 107 O 0.22448801713160 0.18282768842235 0.78963265022207 15.999 > 103 108 O 0.22448801713160 0.68282768842235 0.78963265022207 15.999 > 103 109 Si 0.37156265638364 0.41283665891923 0.01038665883450 28.085 > 109 110 Si 0.37156265638364 0.91283665891923 0.01038665883450 28.085 > 109 111 Si 0.37156265638364 0.41283665891923 0.34371999216783 28.085 > 109 112 Si 0.37156265638364 0.91283665891923 0.34371999216783 28.085 > 109 113 Si 0.37156265638364 0.41283665891923 0.67705332550117 28.085 > 109 114 Si 0.37156265638364 0.91283665891923 0.67705332550117 28.085 > 109 115 Si 0.12843734361636 0.08716334108077 0.17705332550117 28.085 > 115 116 Si 0.12843734361636 0.58716334108077 0.17705332550117 28.085 > 115 117 Si 0.12843734361636 0.08716334108077 0.51038665883450 28.085 > 115 118 Si 0.12843734361636 0.58716334108077 0.51038665883450 28.085 > 115 119 Si 0.12843734361636 0.08716334108077 0.84371999216783 28.085 > 115 120 Si 0.12843734361636 0.58716334108077 0.84371999216783 28.085 > 115 121 Si 0.87156265638364 0.08716334108077 0.17705332550117 28.085 > 121 122 Si 0.87156265638364 0.58716334108077 0.17705332550117 28.085 > 121 123 Si 0.87156265638364 0.08716334108077 0.51038665883450 28.085 > 121 124 Si 0.87156265638364 0.58716334108077 0.51038665883450 28.085 > 121 125 Si 0.87156265638364 0.08716334108077 0.84371999216783 28.085 > 121 126 Si 0.87156265638364 0.58716334108077 0.84371999216783 28.085 > 121 127 Si 0.62843734361636 0.41283665891923 0.01038665883450 28.085 > 127 128 Si 0.62843734361636 0.91283665891923 0.01038665883450 28.085 > 127 129 Si 0.62843734361636 0.41283665891923 0.34371999216783 28.085 > 127 130 Si 0.62843734361636 0.91283665891923 0.34371999216783 28.085 > 127 131 Si 0.62843734361636 0.41283665891923 0.67705332550117 28.085 > 127 132 Si 0.62843734361636 0.91283665891923 0.67705332550117 28.085 > 127 133 Ba 0.00000000000000 0.35116620172445 0.00274938183792 137.327 > 133 134 Ba 0.00000000000000 0.85116620172445 0.00274938183792 137.327 > 133 135 Ba 0.00000000000000 0.35116620172445 0.33608271517126 137.327 > 133 136 Ba 0.00000000000000 0.85116620172445 0.33608271517126 137.327 > 133 137 Ba 0.00000000000000 0.35116620172445 0.66941604850459 137.327 > 133 138 Ba 0.00000000000000 0.85116620172445 0.66941604850459 137.327 > 133 139 Ba 0.50000000000000 0.14883379827555 0.16941604850459 137.327 > 139 140 Ba 0.50000000000000 0.64883379827555 0.16941604850459 137.327 > 139 141 Ba 0.50000000000000 0.14883379827555 0.50274938183792 137.327 > 139 142 Ba 0.50000000000000 0.64883379827555 0.50274938183792 137.327 > 139 143 Ba 0.50000000000000 0.14883379827555 0.83608271517126 137.327 > 139 144 Ba 0.50000000000000 0.64883379827555 0.83608271517126 137.327 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0735690 0.0000000 0.0000000 0.0000000 3.1168146 0.0000000 0.0000000 0.0000000 3.1020815 -------------------------- Born effective charges -------------------------- 1 Be 1.9031737 0.0139578 0.0960794 -0.1226440 1.8538899 0.0396983 -0.1255766 -0.0711221 1.8851588 2 Be 1.9031737 0.0139578 -0.0960794 -0.1226440 1.8538899 -0.0396983 0.1255766 0.0711221 1.8851588 3 Be 1.9031737 -0.0139578 -0.0960794 0.1226440 1.8538899 0.0396983 0.1255766 -0.0711221 1.8851588 4 Be 1.9031737 -0.0139578 0.0960794 0.1226440 1.8538899 -0.0396983 -0.1255766 0.0711221 1.8851588 5 O -2.6046178 0.0000000 0.0000000 0.0000000 -1.4403141 0.2042188 0.0000000 0.1748051 -1.4275000 6 O -2.6046178 0.0000000 0.0000000 0.0000000 -1.4403141 -0.2042188 0.0000000 -0.1748051 -1.4275000 7 O -1.7126116 0.0952464 -0.2160539 0.0742336 -1.5740485 0.2265420 -0.2425102 0.2688121 -2.0811545 8 O -1.7126116 0.0952464 0.2160539 0.0742336 -1.5740485 -0.2265420 0.2425102 -0.2688121 -2.0811545 9 O -1.7126116 -0.0952464 0.2160539 -0.0742336 -1.5740485 0.2265420 0.2425102 0.2688121 -2.0811545 10 O -1.7126116 -0.0952464 -0.2160539 -0.0742336 -1.5740485 -0.2265420 -0.2425102 -0.2688121 -2.0811545 11 O -1.7374420 -0.2638715 -0.1414181 -0.3054456 -2.1603583 0.1828651 -0.0877452 0.1317816 -1.5492003 12 O -1.7374420 -0.2638715 0.1414181 -0.3054456 -2.1603583 -0.1828651 0.0877452 -0.1317816 -1.5492003 13 O -1.7374420 0.2638715 -0.1414181 0.3054456 -2.1603583 -0.1828651 -0.0877452 -0.1317816 -1.5492003 14 O -1.7374420 0.2638715 0.1414181 0.3054456 -2.1603583 0.1828651 0.0877452 0.1317816 -1.5492003 15 O -1.6333647 0.4253562 -0.3032680 0.3337375 -1.8356853 -0.0287407 -0.2893364 0.0376708 -1.9415117 16 O -1.6333647 0.4253562 0.3032680 0.3337375 -1.8356853 0.0287407 0.2893364 -0.0376708 -1.9415117 17 O -1.6333647 -0.4253562 -0.3032680 -0.3337375 -1.8356853 0.0287407 -0.2893364 -0.0376708 -1.9415117 18 O -1.6333647 -0.4253562 0.3032680 -0.3337375 -1.8356853 -0.0287407 0.2893364 0.0376708 -1.9415117 19 Si 3.1489599 0.0365320 -0.0871189 0.0453890 3.0213214 -0.0558499 0.0208544 -0.0491663 3.0302234 20 Si 3.1489599 0.0365320 0.0871189 0.0453890 3.0213214 0.0558499 -0.0208544 0.0491663 3.0302234 21 Si 3.1489599 -0.0365320 -0.0871189 -0.0453890 3.0213214 0.0558499 0.0208544 0.0491663 3.0302234 22 Si 3.1489599 -0.0365320 0.0871189 -0.0453890 3.0213214 -0.0558499 -0.0208544 -0.0491663 3.0302234 23 Ba 2.6671873 0.0000000 0.0000000 0.0000000 2.8300757 0.0670157 0.0000000 0.0575072 2.7404687 24 Ba 2.6671873 0.0000000 0.0000000 0.0000000 2.8300757 -0.0670157 0.0000000 -0.0575072 2.7404687 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 133, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:11:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:11:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.919371109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.672326089999999 Atomic positions (fractional): 1 Be 0.25072300672112 0.66863269625106 0.51799290367924 9.012 2 Be 0.24927699327888 0.33136730374894 0.01799290367924 9.012 3 Be 0.74927699327888 0.66863269625106 0.51799290367924 9.012 4 Be 0.75072300672112 0.33136730374894 0.01799290367924 9.012 5 O 0.00000000000000 0.27860959337117 0.41759926805231 15.999 6 O 0.50000000000000 0.72139040662883 0.91759926805231 15.999 7 O 0.63247221294478 0.77104211798696 0.37327409197412 15.999 8 O 0.86752778705522 0.22895788201304 0.87327409197412 15.999 9 O 0.36752778705522 0.77104211798696 0.37327409197412 15.999 10 O 0.13247221294478 0.22895788201304 0.87327409197412 15.999 11 O 0.63822250316430 0.14744027974357 0.96095136039390 15.999 12 O 0.86177749683570 0.85255972025643 0.46095136039390 15.999 13 O 0.13822250316430 0.85255972025643 0.46095136039390 15.999 14 O 0.36177749683570 0.14744027974357 0.96095136039390 15.999 15 O 0.77551198286840 0.36565537684470 0.36889795066620 15.999 16 O 0.72448801713160 0.63434462315531 0.86889795066620 15.999 17 O 0.27551198286840 0.63434462315531 0.86889795066620 15.999 18 O 0.22448801713160 0.36565537684470 0.36889795066620 15.999 19 Si 0.37156265638364 0.82567331783845 0.03115997650350 28.085 20 Si 0.12843734361636 0.17432668216155 0.53115997650350 28.085 21 Si 0.87156265638364 0.17432668216155 0.53115997650350 28.085 22 Si 0.62843734361636 0.82567331783845 0.03115997650350 28.085 23 Ba 0.00000000000000 0.70233240344890 0.00824814551377 137.327 24 Ba 0.50000000000000 0.29766759655110 0.50824814551377 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.650999249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.838742219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.016978269999999 Atomic positions (fractional): 1 Be 0.25072300672112 0.33431634812553 0.17266430122641 9.012 > 1 2 Be 0.25072300672112 0.83431634812553 0.17266430122641 9.012 > 1 3 Be 0.25072300672112 0.33431634812553 0.50599763455975 9.012 > 1 4 Be 0.25072300672112 0.83431634812553 0.50599763455975 9.012 > 1 5 Be 0.25072300672112 0.33431634812553 0.83933096789308 9.012 > 1 6 Be 0.25072300672112 0.83431634812553 0.83933096789308 9.012 > 1 7 Be 0.24927699327888 0.16568365187447 0.00599763455975 9.012 > 7 8 Be 0.24927699327888 0.66568365187447 0.00599763455975 9.012 > 7 9 Be 0.24927699327888 0.16568365187447 0.33933096789308 9.012 > 7 10 Be 0.24927699327888 0.66568365187447 0.33933096789308 9.012 > 7 11 Be 0.24927699327888 0.16568365187447 0.67266430122641 9.012 > 7 12 Be 0.24927699327888 0.66568365187447 0.67266430122641 9.012 > 7 13 Be 0.74927699327888 0.33431634812553 0.17266430122641 9.012 > 13 14 Be 0.74927699327888 0.83431634812553 0.17266430122641 9.012 > 13 15 Be 0.74927699327888 0.33431634812553 0.50599763455975 9.012 > 13 16 Be 0.74927699327888 0.83431634812553 0.50599763455975 9.012 > 13 17 Be 0.74927699327888 0.33431634812553 0.83933096789308 9.012 > 13 18 Be 0.74927699327888 0.83431634812553 0.83933096789308 9.012 > 13 19 Be 0.75072300672112 0.16568365187447 0.00599763455975 9.012 > 19 20 Be 0.75072300672112 0.66568365187447 0.00599763455975 9.012 > 19 21 Be 0.75072300672112 0.16568365187447 0.33933096789308 9.012 > 19 22 Be 0.75072300672112 0.66568365187447 0.33933096789308 9.012 > 19 23 Be 0.75072300672112 0.16568365187447 0.67266430122641 9.012 > 19 24 Be 0.75072300672112 0.66568365187447 0.67266430122641 9.012 > 19 25 O 0.00000000000000 0.13930479668558 0.13919975601744 15.999 > 25 26 O 0.00000000000000 0.63930479668558 0.13919975601744 15.999 > 25 27 O 0.00000000000000 0.13930479668558 0.47253308935077 15.999 > 25 28 O 0.00000000000000 0.63930479668558 0.47253308935077 15.999 > 25 29 O 0.00000000000000 0.13930479668558 0.80586642268410 15.999 > 25 30 O 0.00000000000000 0.63930479668558 0.80586642268410 15.999 > 25 31 O 0.50000000000000 0.36069520331442 0.30586642268410 15.999 > 31 32 O 0.50000000000000 0.86069520331442 0.30586642268410 15.999 > 31 33 O 0.50000000000000 0.36069520331442 0.63919975601744 15.999 > 31 34 O 0.50000000000000 0.86069520331442 0.63919975601744 15.999 > 31 35 O 0.50000000000000 0.36069520331442 0.97253308935077 15.999 > 31 36 O 0.50000000000000 0.86069520331442 0.97253308935077 15.999 > 31 37 O 0.63247221294478 0.38552105899348 0.12442469732471 15.999 > 37 38 O 0.63247221294478 0.88552105899348 0.12442469732471 15.999 > 37 39 O 0.63247221294478 0.38552105899348 0.45775803065804 15.999 > 37 40 O 0.63247221294478 0.88552105899348 0.45775803065804 15.999 > 37 41 O 0.63247221294478 0.38552105899348 0.79109136399137 15.999 > 37 42 O 0.63247221294478 0.88552105899348 0.79109136399137 15.999 > 37 43 O 0.86752778705522 0.11447894100652 0.29109136399137 15.999 > 43 44 O 0.86752778705522 0.61447894100652 0.29109136399137 15.999 > 43 45 O 0.86752778705522 0.11447894100652 0.62442469732471 15.999 > 43 46 O 0.86752778705522 0.61447894100652 0.62442469732471 15.999 > 43 47 O 0.86752778705522 0.11447894100652 0.95775803065804 15.999 > 43 48 O 0.86752778705522 0.61447894100652 0.95775803065804 15.999 > 43 49 O 0.36752778705522 0.38552105899348 0.12442469732471 15.999 > 49 50 O 0.36752778705522 0.88552105899348 0.12442469732471 15.999 > 49 51 O 0.36752778705522 0.38552105899348 0.45775803065804 15.999 > 49 52 O 0.36752778705522 0.88552105899348 0.45775803065804 15.999 > 49 53 O 0.36752778705522 0.38552105899348 0.79109136399137 15.999 > 49 54 O 0.36752778705522 0.88552105899348 0.79109136399137 15.999 > 49 55 O 0.13247221294478 0.11447894100652 0.29109136399137 15.999 > 55 56 O 0.13247221294478 0.61447894100652 0.29109136399137 15.999 > 55 57 O 0.13247221294478 0.11447894100652 0.62442469732471 15.999 > 55 58 O 0.13247221294478 0.61447894100652 0.62442469732471 15.999 > 55 59 O 0.13247221294478 0.11447894100652 0.95775803065804 15.999 > 55 60 O 0.13247221294478 0.61447894100652 0.95775803065804 15.999 > 55 61 O 0.63822250316430 0.07372013987178 0.32031712013130 15.999 > 61 62 O 0.63822250316430 0.57372013987178 0.32031712013130 15.999 > 61 63 O 0.63822250316430 0.07372013987178 0.65365045346463 15.999 > 61 64 O 0.63822250316430 0.57372013987178 0.65365045346463 15.999 > 61 65 O 0.63822250316430 0.07372013987178 0.98698378679797 15.999 > 61 66 O 0.63822250316430 0.57372013987178 0.98698378679797 15.999 > 61 67 O 0.86177749683570 0.42627986012822 0.15365045346463 15.999 > 67 68 O 0.86177749683570 0.92627986012822 0.15365045346463 15.999 > 67 69 O 0.86177749683570 0.42627986012822 0.48698378679797 15.999 > 67 70 O 0.86177749683570 0.92627986012822 0.48698378679797 15.999 > 67 71 O 0.86177749683570 0.42627986012822 0.82031712013130 15.999 > 67 72 O 0.86177749683570 0.92627986012822 0.82031712013130 15.999 > 67 73 O 0.13822250316430 0.42627986012822 0.15365045346463 15.999 > 73 74 O 0.13822250316430 0.92627986012822 0.15365045346463 15.999 > 73 75 O 0.13822250316430 0.42627986012822 0.48698378679797 15.999 > 73 76 O 0.13822250316430 0.92627986012822 0.48698378679797 15.999 > 73 77 O 0.13822250316430 0.42627986012822 0.82031712013130 15.999 > 73 78 O 0.13822250316430 0.92627986012822 0.82031712013130 15.999 > 73 79 O 0.36177749683570 0.07372013987178 0.32031712013130 15.999 > 79 80 O 0.36177749683570 0.57372013987178 0.32031712013130 15.999 > 79 81 O 0.36177749683570 0.07372013987178 0.65365045346463 15.999 > 79 82 O 0.36177749683570 0.57372013987178 0.65365045346463 15.999 > 79 83 O 0.36177749683570 0.07372013987178 0.98698378679797 15.999 > 79 84 O 0.36177749683570 0.57372013987178 0.98698378679797 15.999 > 79 85 O 0.77551198286840 0.18282768842235 0.12296598355540 15.999 > 85 86 O 0.77551198286840 0.68282768842235 0.12296598355540 15.999 > 85 87 O 0.77551198286840 0.18282768842235 0.45629931688873 15.999 > 85 88 O 0.77551198286840 0.68282768842235 0.45629931688873 15.999 > 85 89 O 0.77551198286840 0.18282768842235 0.78963265022207 15.999 > 85 90 O 0.77551198286840 0.68282768842235 0.78963265022207 15.999 > 85 91 O 0.72448801713160 0.31717231157765 0.28963265022207 15.999 > 91 92 O 0.72448801713160 0.81717231157765 0.28963265022207 15.999 > 91 93 O 0.72448801713160 0.31717231157765 0.62296598355540 15.999 > 91 94 O 0.72448801713160 0.81717231157765 0.62296598355540 15.999 > 91 95 O 0.72448801713160 0.31717231157765 0.95629931688873 15.999 > 91 96 O 0.72448801713160 0.81717231157765 0.95629931688873 15.999 > 91 97 O 0.27551198286840 0.31717231157765 0.28963265022207 15.999 > 97 98 O 0.27551198286840 0.81717231157765 0.28963265022207 15.999 > 97 99 O 0.27551198286840 0.31717231157765 0.62296598355540 15.999 > 97 100 O 0.27551198286840 0.81717231157765 0.62296598355540 15.999 > 97 101 O 0.27551198286840 0.31717231157765 0.95629931688873 15.999 > 97 102 O 0.27551198286840 0.81717231157765 0.95629931688873 15.999 > 97 103 O 0.22448801713160 0.18282768842235 0.12296598355540 15.999 > 103 104 O 0.22448801713160 0.68282768842235 0.12296598355540 15.999 > 103 105 O 0.22448801713160 0.18282768842235 0.45629931688873 15.999 > 103 106 O 0.22448801713160 0.68282768842235 0.45629931688873 15.999 > 103 107 O 0.22448801713160 0.18282768842235 0.78963265022207 15.999 > 103 108 O 0.22448801713160 0.68282768842235 0.78963265022207 15.999 > 103 109 Si 0.37156265638364 0.41283665891923 0.01038665883450 28.085 > 109 110 Si 0.37156265638364 0.91283665891923 0.01038665883450 28.085 > 109 111 Si 0.37156265638364 0.41283665891923 0.34371999216783 28.085 > 109 112 Si 0.37156265638364 0.91283665891923 0.34371999216783 28.085 > 109 113 Si 0.37156265638364 0.41283665891923 0.67705332550117 28.085 > 109 114 Si 0.37156265638364 0.91283665891923 0.67705332550117 28.085 > 109 115 Si 0.12843734361636 0.08716334108077 0.17705332550117 28.085 > 115 116 Si 0.12843734361636 0.58716334108077 0.17705332550117 28.085 > 115 117 Si 0.12843734361636 0.08716334108077 0.51038665883450 28.085 > 115 118 Si 0.12843734361636 0.58716334108077 0.51038665883450 28.085 > 115 119 Si 0.12843734361636 0.08716334108077 0.84371999216783 28.085 > 115 120 Si 0.12843734361636 0.58716334108077 0.84371999216783 28.085 > 115 121 Si 0.87156265638364 0.08716334108077 0.17705332550117 28.085 > 121 122 Si 0.87156265638364 0.58716334108077 0.17705332550117 28.085 > 121 123 Si 0.87156265638364 0.08716334108077 0.51038665883450 28.085 > 121 124 Si 0.87156265638364 0.58716334108077 0.51038665883450 28.085 > 121 125 Si 0.87156265638364 0.08716334108077 0.84371999216783 28.085 > 121 126 Si 0.87156265638364 0.58716334108077 0.84371999216783 28.085 > 121 127 Si 0.62843734361636 0.41283665891923 0.01038665883450 28.085 > 127 128 Si 0.62843734361636 0.91283665891923 0.01038665883450 28.085 > 127 129 Si 0.62843734361636 0.41283665891923 0.34371999216783 28.085 > 127 130 Si 0.62843734361636 0.91283665891923 0.34371999216783 28.085 > 127 131 Si 0.62843734361636 0.41283665891923 0.67705332550117 28.085 > 127 132 Si 0.62843734361636 0.91283665891923 0.67705332550117 28.085 > 127 133 Ba 0.00000000000000 0.35116620172445 0.00274938183792 137.327 > 133 134 Ba 0.00000000000000 0.85116620172445 0.00274938183792 137.327 > 133 135 Ba 0.00000000000000 0.35116620172445 0.33608271517126 137.327 > 133 136 Ba 0.00000000000000 0.85116620172445 0.33608271517126 137.327 > 133 137 Ba 0.00000000000000 0.35116620172445 0.66941604850459 137.327 > 133 138 Ba 0.00000000000000 0.85116620172445 0.66941604850459 137.327 > 133 139 Ba 0.50000000000000 0.14883379827555 0.16941604850459 137.327 > 139 140 Ba 0.50000000000000 0.64883379827555 0.16941604850459 137.327 > 139 141 Ba 0.50000000000000 0.14883379827555 0.50274938183792 137.327 > 139 142 Ba 0.50000000000000 0.64883379827555 0.50274938183792 137.327 > 139 143 Ba 0.50000000000000 0.14883379827555 0.83608271517126 137.327 > 139 144 Ba 0.50000000000000 0.64883379827555 0.83608271517126 137.327 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0735690 0.0000000 0.0000000 0.0000000 3.1168146 0.0000000 0.0000000 0.0000000 3.1020815 -------------------------- Born effective charges -------------------------- 1 Be 1.9031737 0.0139578 0.0960794 -0.1226440 1.8538899 0.0396983 -0.1255766 -0.0711221 1.8851588 2 Be 1.9031737 0.0139578 -0.0960794 -0.1226440 1.8538899 -0.0396983 0.1255766 0.0711221 1.8851588 3 Be 1.9031737 -0.0139578 -0.0960794 0.1226440 1.8538899 0.0396983 0.1255766 -0.0711221 1.8851588 4 Be 1.9031737 -0.0139578 0.0960794 0.1226440 1.8538899 -0.0396983 -0.1255766 0.0711221 1.8851588 5 O -2.6046178 0.0000000 0.0000000 0.0000000 -1.4403141 0.2042188 0.0000000 0.1748051 -1.4275000 6 O -2.6046178 0.0000000 0.0000000 0.0000000 -1.4403141 -0.2042188 0.0000000 -0.1748051 -1.4275000 7 O -1.7126116 0.0952464 -0.2160539 0.0742336 -1.5740485 0.2265420 -0.2425102 0.2688121 -2.0811545 8 O -1.7126116 0.0952464 0.2160539 0.0742336 -1.5740485 -0.2265420 0.2425102 -0.2688121 -2.0811545 9 O -1.7126116 -0.0952464 0.2160539 -0.0742336 -1.5740485 0.2265420 0.2425102 0.2688121 -2.0811545 10 O -1.7126116 -0.0952464 -0.2160539 -0.0742336 -1.5740485 -0.2265420 -0.2425102 -0.2688121 -2.0811545 11 O -1.7374420 -0.2638715 -0.1414181 -0.3054456 -2.1603583 0.1828651 -0.0877452 0.1317816 -1.5492003 12 O -1.7374420 -0.2638715 0.1414181 -0.3054456 -2.1603583 -0.1828651 0.0877452 -0.1317816 -1.5492003 13 O -1.7374420 0.2638715 -0.1414181 0.3054456 -2.1603583 -0.1828651 -0.0877452 -0.1317816 -1.5492003 14 O -1.7374420 0.2638715 0.1414181 0.3054456 -2.1603583 0.1828651 0.0877452 0.1317816 -1.5492003 15 O -1.6333647 0.4253562 -0.3032680 0.3337375 -1.8356853 -0.0287407 -0.2893364 0.0376708 -1.9415117 16 O -1.6333647 0.4253562 0.3032680 0.3337375 -1.8356853 0.0287407 0.2893364 -0.0376708 -1.9415117 17 O -1.6333647 -0.4253562 -0.3032680 -0.3337375 -1.8356853 0.0287407 -0.2893364 -0.0376708 -1.9415117 18 O -1.6333647 -0.4253562 0.3032680 -0.3337375 -1.8356853 -0.0287407 0.2893364 0.0376708 -1.9415117 19 Si 3.1489599 0.0365320 -0.0871189 0.0453890 3.0213214 -0.0558499 0.0208544 -0.0491663 3.0302234 20 Si 3.1489599 0.0365320 0.0871189 0.0453890 3.0213214 0.0558499 -0.0208544 0.0491663 3.0302234 21 Si 3.1489599 -0.0365320 -0.0871189 -0.0453890 3.0213214 0.0558499 0.0208544 0.0491663 3.0302234 22 Si 3.1489599 -0.0365320 0.0871189 -0.0453890 3.0213214 -0.0558499 -0.0208544 -0.0491663 3.0302234 23 Ba 2.6671873 0.0000000 0.0000000 0.0000000 2.8300757 0.0670157 0.0000000 0.0575072 2.7404687 24 Ba 2.6671873 0.0000000 0.0000000 0.0000000 2.8300757 -0.0670157 0.0000000 -0.0575072 2.7404687 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 10 11 ] 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: 0.64, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 -0.000) 0.000 2.366 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.865 ( 0.000 0.000 -0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 -0.000) 0.000 5.912 ( 0.000 0.000 -0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 -0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.983 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 -0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 -0.000) 0.000 11.059 ( 0.000 0.000 -0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 -0.000) 0.000 12.453 ( 0.000 0.000 -0.000) 0.000 12.588 ( 0.000 0.000 -0.000) 0.000 12.803 ( 0.000 0.000 -0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 -0.000) 0.000 14.264 ( 0.000 0.000 0.000) 0.000 14.838 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 15.721 ( 0.000 0.000 0.000) 0.000 16.559 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 17.756 ( 0.000 0.000 0.000) 0.000 17.991 ( 0.000 0.000 -0.000) 0.000 19.154 ( 0.000 0.000 0.000) 0.000 19.204 ( 0.000 0.000 0.000) 0.000 20.225 ( 0.000 0.000 -0.000) 0.000 20.408 ( 0.000 0.000 0.000) 0.000 21.269 ( 0.000 0.000 0.000) 0.000 21.415 ( 0.000 0.000 0.000) 0.000 21.685 ( 0.000 0.000 -0.000) 0.000 21.906 ( 0.000 0.000 0.000) 0.000 21.915 ( 0.000 0.000 0.000) 0.000 22.633 ( 0.000 0.000 0.000) 0.000 22.698 ( 0.000 0.000 0.000) 0.000 23.598 ( 0.000 0.000 -0.000) 0.000 23.758 ( 0.000 0.000 0.000) 0.000 24.026 ( 0.000 0.000 0.000) 0.000 26.447 ( 0.000 0.000 0.000) 0.000 26.745 ( 0.000 0.000 0.000) 0.000 27.384 ( 0.000 0.000 0.000) 0.000 27.429 ( 0.000 0.000 0.000) 0.000 27.966 ( 0.000 0.000 0.000) 0.000 27.978 ( 0.000 0.000 0.000) 0.000 28.255 ( 0.000 0.000 -0.000) 0.000 28.653 ( 0.000 0.000 0.000) 0.000 28.774 ( 0.000 0.000 0.000) 0.000 28.863 ( 0.000 0.000 -0.000) 0.000 29.243 ( 0.000 0.000 0.000) 0.000 29.347 ( 0.000 0.000 -0.000) 0.000 29.677 ( 0.000 0.000 0.000) 0.000 30.867 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 37.190 0.000 0.000) 37.190 0.848 ( 39.337 0.000 0.000) 39.337 1.308 ( 55.495 0.000 0.000) 55.495 2.025 ( -11.972 0.000 0.000) 11.972 2.178 ( -17.607 0.000 0.000) 17.607 2.761 ( -10.782 0.000 0.000) 10.782 3.021 ( -1.781 0.000 0.000) 1.781 3.088 ( -8.173 0.000 0.000) 8.173 3.394 ( -0.355 0.000 0.000) 0.355 3.501 ( -7.815 0.000 0.000) 7.815 3.862 ( 9.505 0.000 0.000) 9.505 4.860 ( -24.797 0.000 0.000) 24.797 5.705 ( 13.591 0.000 0.000) 13.591 5.973 ( 1.973 0.000 0.000) 1.973 5.991 ( -2.305 0.000 0.000) 2.305 6.122 ( -0.270 0.000 0.000) 0.270 6.186 ( 1.246 0.000 0.000) 1.246 6.286 ( -5.488 0.000 0.000) 5.488 7.244 ( 14.685 0.000 0.000) 14.685 7.711 ( -7.580 0.000 0.000) 7.580 8.718 ( -3.038 0.000 0.000) 3.038 8.800 ( 0.020 0.000 0.000) 0.020 9.521 ( 1.040 0.000 0.000) 1.040 9.777 ( -15.251 0.000 0.000) 15.251 10.238 ( 20.111 0.000 0.000) 20.111 10.841 ( 5.387 0.000 0.000) 5.387 11.190 ( -0.929 0.000 0.000) 0.929 11.201 ( 0.414 0.000 0.000) 0.414 11.449 ( 23.666 0.000 0.000) 23.666 11.988 ( -20.271 0.000 0.000) 20.271 12.326 ( -13.340 0.000 0.000) 13.340 12.849 ( -23.048 0.000 0.000) 23.048 12.999 ( 11.593 0.000 0.000) 11.593 13.045 ( 12.847 0.000 0.000) 12.847 13.480 ( -3.616 0.000 0.000) 3.616 13.669 ( -7.875 0.000 0.000) 7.875 14.739 ( 20.823 0.000 0.000) 20.823 14.872 ( 2.381 0.000 0.000) 2.381 14.897 ( 0.938 0.000 0.000) 0.938 15.578 ( -12.736 0.000 0.000) 12.736 16.574 ( 1.027 0.000 0.000) 1.027 16.586 ( 0.310 0.000 0.000) 0.310 17.797 ( 2.964 0.000 0.000) 2.964 17.958 ( -2.927 0.000 0.000) 2.927 19.161 ( 0.636 0.000 0.000) 0.636 19.197 ( -0.646 0.000 0.000) 0.646 20.243 ( 1.698 0.000 0.000) 1.698 20.370 ( -3.102 0.000 0.000) 3.102 21.402 ( 4.117 0.000 0.000) 4.117 21.633 ( -4.441 0.000 0.000) 4.441 21.735 ( 2.157 0.000 0.000) 2.157 21.866 ( -2.791 0.000 0.000) 2.791 22.018 ( 8.309 0.000 0.000) 8.309 22.512 ( -12.328 0.000 0.000) 12.328 23.165 ( 11.996 0.000 0.000) 11.996 23.602 ( -3.362 0.000 0.000) 3.362 23.731 ( 1.257 0.000 0.000) 1.257 23.973 ( -4.699 0.000 0.000) 4.699 26.874 ( 11.348 0.000 0.000) 11.348 27.375 ( -5.291 0.000 0.000) 5.291 27.409 ( 2.474 0.000 0.000) 2.474 27.764 ( -14.369 0.000 0.000) 14.369 28.031 ( 3.903 0.000 0.000) 3.903 28.219 ( -3.180 0.000 0.000) 3.180 28.667 ( 1.248 0.000 0.000) 1.248 28.750 ( -1.946 0.000 0.000) 1.946 29.007 ( 10.220 0.000 0.000) 10.220 29.302 ( 5.440 0.000 0.000) 5.440 29.310 ( -3.455 0.000 0.000) 3.455 29.617 ( -5.451 0.000 0.000) 5.451 30.902 ( 3.119 0.000 0.000) 3.119 31.063 ( -2.794 0.000 0.000) 2.794 ======================= Grid point 2 (3/108) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -22.270 0.000 0.000) 22.270 1.542 ( 22.270 0.000 0.000) 22.270 1.639 ( -25.837 0.000 0.000) 25.837 1.639 ( 25.837 0.000 0.000) 25.837 2.314 ( -33.090 0.000 0.000) 33.090 2.314 ( 33.090 0.000 0.000) 33.090 2.990 ( -0.417 0.000 0.000) 0.417 2.990 ( 0.417 0.000 0.000) 0.417 3.394 ( -1.721 0.000 0.000) 1.721 3.394 ( 1.721 0.000 0.000) 1.721 4.243 ( -26.250 0.000 0.000) 26.250 4.243 ( 26.250 0.000 0.000) 26.250 5.935 ( -5.266 0.000 0.000) 5.266 5.935 ( 5.266 0.000 0.000) 5.266 6.042 ( -6.397 0.000 0.000) 6.397 6.042 ( 6.397 0.000 0.000) 6.397 6.237 ( -1.660 0.000 0.000) 1.660 6.237 ( 1.660 0.000 0.000) 1.660 7.512 ( -10.665 0.000 0.000) 10.665 7.512 ( 10.665 0.000 0.000) 10.665 8.730 ( -4.270 0.000 0.000) 4.270 8.730 ( 4.270 0.000 0.000) 4.270 9.562 ( -4.327 0.000 0.000) 4.327 9.562 ( 4.327 0.000 0.000) 4.327 10.752 ( -19.954 0.000 0.000) 19.954 10.752 ( 19.954 0.000 0.000) 19.954 11.158 ( -0.114 0.000 0.000) 0.114 11.158 ( 0.114 0.000 0.000) 0.114 11.758 ( -2.269 0.000 0.000) 2.269 11.758 ( 2.269 0.000 0.000) 2.269 12.342 ( -19.274 0.000 0.000) 19.274 12.342 ( 19.274 0.000 0.000) 19.274 13.186 ( -3.246 0.000 0.000) 3.246 13.186 ( 3.246 0.000 0.000) 3.246 13.476 ( -6.890 0.000 0.000) 6.890 13.476 ( 6.890 0.000 0.000) 6.890 14.906 ( -0.448 0.000 0.000) 0.448 14.906 ( 0.448 0.000 0.000) 0.448 15.208 ( -20.832 0.000 0.000) 20.832 15.208 ( 20.832 0.000 0.000) 20.832 16.589 ( -0.195 0.000 0.000) 0.195 16.589 ( 0.195 0.000 0.000) 0.195 17.877 ( -4.151 0.000 0.000) 4.151 17.877 ( 4.151 0.000 0.000) 4.151 19.179 ( -0.916 0.000 0.000) 0.916 19.179 ( 0.916 0.000 0.000) 0.916 20.297 ( -3.214 0.000 0.000) 3.214 20.297 ( 3.214 0.000 0.000) 3.214 21.515 ( -5.969 0.000 0.000) 5.969 21.515 ( 5.969 0.000 0.000) 5.969 21.796 ( -3.346 0.000 0.000) 3.346 21.796 ( 3.346 0.000 0.000) 3.346 22.244 ( -12.101 0.000 0.000) 12.101 22.244 ( 12.101 0.000 0.000) 12.101 23.421 ( -11.240 0.000 0.000) 11.240 23.421 ( 11.240 0.000 0.000) 11.240 23.843 ( -6.820 0.000 0.000) 6.820 23.843 ( 6.820 0.000 0.000) 6.820 27.169 ( -13.861 0.000 0.000) 13.861 27.169 ( 13.861 0.000 0.000) 13.861 27.507 ( -7.621 0.000 0.000) 7.621 27.507 ( 7.621 0.000 0.000) 7.621 28.129 ( -4.805 0.000 0.000) 4.805 28.129 ( 4.805 0.000 0.000) 4.805 28.704 ( -2.104 0.000 0.000) 2.104 28.704 ( 2.104 0.000 0.000) 2.104 29.199 ( -6.968 0.000 0.000) 6.968 29.199 ( 6.968 0.000 0.000) 6.968 29.460 ( -8.376 0.000 0.000) 8.376 29.460 ( 8.376 0.000 0.000) 8.376 30.985 ( -4.160 0.000 0.000) 4.160 30.985 ( 4.160 0.000 0.000) 4.160 ======================= Grid point 5 (4/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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| 0.775 ( 0.000 36.494 0.000) 36.494 0.790 ( 0.000 37.927 0.000) 37.927 1.348 ( 0.000 60.964 0.000) 60.964 2.233 ( 0.000 8.449 0.000) 8.449 2.390 ( 0.000 1.730 0.000) 1.730 2.720 ( 0.000 -4.683 0.000) 4.683 2.818 ( 0.000 -1.837 0.000) 1.837 3.232 ( 0.000 0.897 0.000) 0.897 3.637 ( 0.000 9.887 0.000) 9.887 3.800 ( 0.000 23.757 0.000) 23.757 4.134 ( 0.000 11.261 0.000) 11.261 5.209 ( 0.000 8.110 0.000) 8.110 5.470 ( 0.000 -9.219 0.000) 9.219 5.690 ( 0.000 -16.107 0.000) 16.107 5.908 ( 0.000 -6.117 0.000) 6.117 6.008 ( 0.000 -9.754 0.000) 9.754 6.240 ( 0.000 5.261 0.000) 5.261 6.567 ( 0.000 10.414 0.000) 10.414 7.265 ( 0.000 23.879 0.000) 23.879 7.885 ( 0.000 7.707 0.000) 7.707 8.632 ( 0.000 -9.969 0.000) 9.969 8.815 ( 0.000 -0.100 0.000) 0.100 9.498 ( 0.000 -1.108 0.000) 1.108 9.902 ( 0.000 -1.454 0.000) 1.454 10.141 ( 0.000 1.446 0.000) 1.446 10.700 ( 0.000 -5.987 0.000) 5.987 10.929 ( 0.000 -11.740 0.000) 11.740 11.176 ( 0.000 -0.453 0.000) 0.453 11.197 ( 0.000 -6.350 0.000) 6.350 12.198 ( 0.000 -9.465 0.000) 9.465 12.405 ( 0.000 -4.815 0.000) 4.815 12.830 ( 0.000 2.594 0.000) 2.594 12.833 ( 0.000 -6.035 0.000) 6.035 13.280 ( 0.000 9.034 0.000) 9.034 13.340 ( 0.000 3.148 0.000) 3.148 13.864 ( 0.000 10.945 0.000) 10.945 14.298 ( 0.000 3.366 0.000) 3.366 14.822 ( 0.000 -1.149 0.000) 1.149 14.988 ( 0.000 9.478 0.000) 9.478 15.916 ( 0.000 1.611 0.000) 1.611 16.398 ( 0.000 -14.269 0.000) 14.269 16.565 ( 0.000 -0.959 0.000) 0.959 17.626 ( 0.000 -12.854 0.000) 12.854 18.198 ( 0.000 -20.954 0.000) 20.954 19.186 ( 0.000 2.410 0.000) 2.410 19.221 ( 0.000 1.474 0.000) 1.474 20.142 ( 0.000 -6.771 0.000) 6.771 20.429 ( 0.000 -7.857 0.000) 7.857 21.271 ( 0.000 -0.564 0.000) 0.564 21.457 ( 0.000 3.344 0.000) 3.344 21.876 ( 0.000 -2.835 0.000) 2.835 21.903 ( 0.000 1.687 0.000) 1.687 22.629 ( 0.000 -4.542 0.000) 4.542 22.740 ( 0.000 8.732 0.000) 8.732 23.629 ( 0.000 5.238 0.000) 5.238 23.661 ( 0.000 5.962 0.000) 5.962 23.857 ( 0.000 9.370 0.000) 9.370 24.124 ( 0.000 10.148 0.000) 10.148 26.376 ( 0.000 -6.706 0.000) 6.706 26.651 ( 0.000 -8.271 0.000) 8.271 27.434 ( 0.000 4.791 0.000) 4.791 27.447 ( 0.000 1.406 0.000) 1.406 27.982 ( 0.000 1.690 0.000) 1.690 27.996 ( 0.000 1.599 0.000) 1.599 28.508 ( 0.000 -1.478 0.000) 1.478 28.623 ( 0.000 -2.788 0.000) 2.788 28.766 ( 0.000 -0.786 0.000) 0.786 28.844 ( 0.000 -2.365 0.000) 2.365 29.083 ( 0.000 -6.380 0.000) 6.380 30.053 ( 0.000 26.775 0.000) 26.775 30.681 ( 0.000 -17.112 0.000) 17.112 32.065 ( 0.000 1.062 0.000) 1.062 ======================= Grid point 6 (5/108) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 25.639 24.194 0.000) 35.252 1.217 ( 27.118 22.260 0.000) 35.084 1.746 ( 28.877 35.158 0.000) 45.497 2.116 ( -8.463 10.010 0.000) 13.108 2.228 ( -14.162 4.612 0.000) 14.894 2.727 ( -3.955 -3.083 0.000) 5.015 3.015 ( 10.764 2.000 0.000) 10.948 3.223 ( -1.096 5.220 0.000) 5.334 3.504 ( -8.630 5.409 0.000) 10.185 3.620 ( -11.807 19.543 0.000) 22.833 3.983 ( -1.705 14.754 0.000) 14.852 4.907 ( -26.448 4.070 0.000) 26.759 5.619 ( 11.134 -8.960 0.000) 14.291 5.800 ( 4.621 -13.271 0.000) 14.053 5.905 ( 0.344 -8.370 0.000) 8.377 6.144 ( 11.825 3.804 0.000) 12.422 6.182 ( -4.327 1.175 0.000) 4.484 6.491 ( -5.277 16.077 0.000) 16.921 7.404 ( 10.043 15.087 0.000) 18.124 7.792 ( -7.388 7.081 0.000) 10.233 8.623 ( -0.356 -8.529 0.000) 8.536 8.851 ( -0.143 3.581 0.000) 3.584 9.462 ( -1.474 -6.498 0.000) 6.663 9.765 ( -14.728 -0.612 0.000) 14.741 10.195 ( 16.069 -3.081 0.000) 16.362 10.748 ( 2.672 -8.882 0.000) 9.276 11.107 ( 2.213 -8.150 0.000) 8.445 11.142 ( -3.902 -8.446 0.000) 9.303 11.411 ( 23.099 -1.002 0.000) 23.121 11.901 ( -9.967 -1.765 0.000) 10.122 12.377 ( -17.772 0.329 0.000) 17.775 12.828 ( -19.435 -0.330 0.000) 19.438 12.859 ( 21.386 -7.625 0.000) 22.705 13.204 ( 9.311 8.433 0.000) 12.562 13.536 ( -3.697 -1.255 0.000) 3.904 13.710 ( -11.140 10.282 0.000) 15.160 14.615 ( 23.918 -5.063 0.000) 24.448 14.869 ( 3.398 0.249 0.000) 3.407 15.020 ( 3.210 10.722 0.000) 11.192 15.703 ( -16.976 6.142 0.000) 18.053 16.425 ( 1.684 -12.829 0.000) 12.939 16.488 ( -3.334 -5.033 0.000) 6.037 17.666 ( 3.461 -12.949 0.000) 13.404 17.956 ( -11.997 -10.472 0.000) 15.925 19.188 ( 0.337 2.243 0.000) 2.268 19.214 ( -0.560 1.546 0.000) 1.644 20.162 ( 1.942 -6.753 0.000) 7.026 20.335 ( -5.676 -5.586 0.000) 7.964 21.409 ( 8.141 -3.619 0.000) 8.909 21.525 ( 4.657 3.865 0.000) 6.051 21.837 ( -0.941 -1.809 0.000) 2.039 22.009 ( 7.553 1.722 0.000) 7.747 22.311 ( -23.646 24.634 0.000) 34.146 22.499 ( -12.366 3.018 0.000) 12.729 23.345 ( 3.107 14.696 0.000) 15.021 23.679 ( -2.575 6.727 0.000) 7.203 23.795 ( 1.168 6.169 0.000) 6.279 24.056 ( -5.195 8.029 0.000) 9.563 26.715 ( 10.483 -14.443 0.000) 17.846 27.139 ( 1.978 -26.637 0.000) 26.711 27.462 ( 2.536 4.515 0.000) 5.179 27.640 ( 3.141 -5.455 0.000) 6.294 28.026 ( 6.926 -1.556 0.000) 7.098 28.094 ( 8.166 -2.823 0.000) 8.640 28.598 ( 8.427 -11.456 0.000) 14.222 28.670 ( 6.081 -6.690 0.000) 9.041 28.745 ( -1.029 -1.700 0.000) 1.988 28.917 ( 3.033 -9.033 0.000) 9.529 29.193 ( 13.414 -4.535 0.000) 14.160 29.917 ( -11.454 15.601 0.000) 19.355 30.812 ( 11.031 -4.860 0.000) 12.054 31.602 ( -27.511 21.276 0.000) 34.778 ======================= Grid point 7 (6/108) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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| 1.650 ( -23.479 9.149 0.000) 25.198 1.650 ( 23.479 9.149 0.000) 25.198 1.799 ( -24.694 13.153 0.000) 27.979 1.799 ( 24.694 13.153 0.000) 27.979 2.462 ( -21.014 12.535 0.000) 24.469 2.462 ( 21.014 12.535 0.000) 24.469 3.151 ( -3.624 11.993 0.000) 12.529 3.151 ( 3.624 11.993 0.000) 12.529 3.444 ( -2.640 6.090 0.000) 6.637 3.444 ( 2.640 6.090 0.000) 6.637 4.269 ( -25.716 6.810 0.000) 26.602 4.269 ( 25.716 6.810 0.000) 26.602 5.791 ( -1.441 -12.532 0.000) 12.615 5.791 ( 1.441 -12.532 0.000) 12.615 6.041 ( -6.016 -1.372 0.000) 6.170 6.041 ( 6.016 -1.372 0.000) 6.170 6.365 ( -7.346 12.487 0.000) 14.488 6.365 ( 7.346 12.487 0.000) 14.488 7.613 ( -8.680 9.149 0.000) 12.611 7.613 ( 8.680 9.149 0.000) 12.611 8.712 ( -6.919 -2.462 0.000) 7.344 8.712 ( 6.919 -2.462 0.000) 7.344 9.527 ( -6.664 -3.056 0.000) 7.331 9.527 ( 6.664 -3.056 0.000) 7.331 10.615 ( -15.991 -11.975 0.000) 19.978 10.615 ( 15.991 -11.975 0.000) 19.978 11.087 ( -0.186 -6.665 0.000) 6.667 11.087 ( 0.186 -6.665 0.000) 6.667 11.779 ( -8.887 2.998 0.000) 9.379 11.779 ( 8.887 2.998 0.000) 9.379 12.347 ( -18.663 -0.557 0.000) 18.672 12.347 ( 18.663 -0.557 0.000) 18.672 13.251 ( -6.133 1.529 0.000) 6.321 13.251 ( 6.133 1.529 0.000) 6.321 13.475 ( -3.180 3.975 0.000) 5.091 13.475 ( 3.180 3.975 0.000) 5.091 14.910 ( -0.265 -0.584 0.000) 0.641 14.910 ( 0.265 -0.584 0.000) 0.641 15.278 ( -20.235 7.033 0.000) 21.422 15.278 ( 20.235 7.033 0.000) 21.422 16.451 ( -0.147 -10.503 0.000) 10.504 16.451 ( 0.147 -10.503 0.000) 10.504 17.770 ( -6.310 -12.217 0.000) 13.750 17.770 ( 6.310 -12.217 0.000) 13.750 19.200 ( -0.690 1.804 0.000) 1.932 19.200 ( 0.690 1.804 0.000) 1.932 20.227 ( -3.069 -6.440 0.000) 7.134 20.227 ( 3.069 -6.440 0.000) 7.134 21.546 ( -0.762 -0.740 0.000) 1.062 21.546 ( 0.762 -0.740 0.000) 1.062 21.927 ( -9.220 12.033 0.000) 15.159 21.927 ( 9.220 12.033 0.000) 15.159 22.239 ( -8.094 2.177 0.000) 8.381 22.239 ( 8.094 2.177 0.000) 8.381 23.519 ( -8.742 8.157 0.000) 11.957 23.519 ( 8.742 8.157 0.000) 11.957 23.915 ( -7.307 6.929 0.000) 10.070 23.915 ( 7.307 6.929 0.000) 10.070 26.976 ( -9.904 -17.267 0.000) 19.906 26.976 ( 9.904 -17.267 0.000) 19.906 27.547 ( -4.205 3.704 0.000) 5.604 27.547 ( 4.205 3.704 0.000) 5.604 28.126 ( -1.913 0.127 0.000) 1.917 28.126 ( 1.913 0.127 0.000) 1.917 28.681 ( -0.582 -2.681 0.000) 2.743 28.681 ( 0.582 -2.681 0.000) 2.743 28.884 ( -2.690 -15.695 0.000) 15.924 28.884 ( 2.690 -15.695 0.000) 15.924 29.592 ( -15.409 0.665 0.000) 15.423 29.592 ( 15.409 0.665 0.000) 15.423 31.121 ( -7.009 12.253 0.000) 14.116 31.121 ( 7.009 12.253 0.000) 14.116 ======================= Grid point 10 (7/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 26.125 0.000) 26.125 1.511 ( 0.000 32.358 0.000) 32.358 2.323 ( 0.000 28.367 0.000) 28.367 2.428 ( 0.000 3.647 0.000) 3.647 2.501 ( 0.000 19.388 0.000) 19.388 2.568 ( 0.000 -9.143 0.000) 9.143 2.868 ( 0.000 8.122 0.000) 8.122 3.260 ( 0.000 1.944 0.000) 1.944 3.879 ( 0.000 15.102 0.000) 15.102 4.375 ( 0.000 26.634 0.000) 26.634 4.523 ( 0.000 26.245 0.000) 26.245 5.202 ( 0.000 -17.533 0.000) 17.533 5.395 ( 0.000 8.235 0.000) 8.235 5.403 ( 0.000 -9.721 0.000) 9.721 5.772 ( 0.000 -10.430 0.000) 10.430 5.810 ( 0.000 -0.692 0.000) 0.692 6.382 ( 0.000 8.818 0.000) 8.818 6.888 ( 0.000 21.229 0.000) 21.229 7.795 ( 0.000 24.692 0.000) 24.692 8.093 ( 0.000 13.044 0.000) 13.044 8.358 ( 0.000 -16.678 0.000) 16.678 8.712 ( 0.000 -10.783 0.000) 10.783 9.452 ( 0.000 -2.757 0.000) 2.757 9.960 ( 0.000 8.922 0.000) 8.922 10.188 ( 0.000 2.250 0.000) 2.250 10.523 ( 0.000 -10.756 0.000) 10.756 10.613 ( 0.000 -18.730 0.000) 18.730 10.991 ( 0.000 -14.190 0.000) 14.190 11.173 ( 0.000 0.313 0.000) 0.313 11.994 ( 0.000 -8.813 0.000) 8.813 12.264 ( 0.000 -8.611 0.000) 8.611 12.744 ( 0.000 -2.614 0.000) 2.614 12.882 ( 0.000 1.369 0.000) 1.369 13.416 ( 0.000 4.455 0.000) 4.455 13.482 ( 0.000 10.558 0.000) 10.558 14.104 ( 0.000 11.162 0.000) 11.162 14.390 ( 0.000 4.829 0.000) 4.829 14.811 ( 0.000 0.571 0.000) 0.571 15.224 ( 0.000 12.667 0.000) 12.667 15.881 ( 0.000 -6.258 0.000) 6.258 16.064 ( 0.000 -16.467 0.000) 16.467 16.585 ( 0.000 3.667 0.000) 3.667 17.254 ( 0.000 -22.665 0.000) 22.665 17.648 ( 0.000 -31.336 0.000) 31.336 19.233 ( 0.000 2.078 0.000) 2.078 19.253 ( 0.000 1.438 0.000) 1.438 19.998 ( 0.000 -6.899 0.000) 6.899 20.208 ( 0.000 -12.440 0.000) 12.440 21.248 ( 0.000 -1.282 0.000) 1.282 21.488 ( 0.000 -0.685 0.000) 0.685 21.824 ( 0.000 -1.822 0.000) 1.822 22.024 ( 0.000 9.213 0.000) 9.213 22.556 ( 0.000 -2.891 0.000) 2.891 22.919 ( 0.000 7.830 0.000) 7.830 23.716 ( 0.000 4.178 0.000) 4.178 23.821 ( 0.000 9.175 0.000) 9.175 24.042 ( 0.000 7.436 0.000) 7.436 24.425 ( 0.000 17.562 0.000) 17.562 26.201 ( 0.000 -9.480 0.000) 9.480 26.461 ( 0.000 -9.447 0.000) 9.447 27.472 ( 0.000 0.839 0.000) 0.839 27.557 ( 0.000 6.521 0.000) 6.521 28.032 ( 0.000 2.828 0.000) 2.828 28.037 ( 0.000 2.311 0.000) 2.311 28.461 ( 0.000 -3.129 0.000) 3.129 28.552 ( 0.000 -3.839 0.000) 3.839 28.741 ( 0.000 -1.740 0.000) 1.740 28.790 ( 0.000 -1.785 0.000) 1.785 29.048 ( 0.000 1.314 0.000) 1.314 30.252 ( 0.000 -22.627 0.000) 22.627 30.596 ( 0.000 24.981 0.000) 24.981 32.092 ( 0.000 1.566 0.000) 1.566 ======================= Grid point 11 (8/108) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 11.533 19.267 0.000) 22.455 1.689 ( 14.669 24.435 0.000) 28.500 2.175 ( -11.815 8.329 0.000) 14.455 2.340 ( -7.997 5.959 0.000) 9.973 2.558 ( 7.438 24.328 0.000) 25.440 2.674 ( 5.572 -0.104 0.000) 5.573 3.089 ( 14.924 6.763 0.000) 16.385 3.309 ( 6.224 4.432 0.000) 7.641 3.682 ( -15.411 12.527 0.000) 19.860 4.095 ( -20.253 20.228 0.000) 28.625 4.460 ( -2.646 29.649 0.000) 29.767 5.038 ( -15.002 8.181 0.000) 17.087 5.393 ( 8.013 -12.026 0.000) 14.451 5.539 ( 1.301 -9.818 0.000) 9.903 5.763 ( 8.395 -2.471 0.000) 8.751 6.158 ( 5.581 -1.409 0.000) 5.756 6.330 ( 8.830 12.839 0.000) 15.582 6.889 ( -3.343 23.334 0.000) 23.572 7.793 ( 1.133 20.868 0.000) 20.899 7.927 ( -8.357 3.585 0.000) 9.094 8.386 ( 1.406 -13.532 0.000) 13.605 8.902 ( 8.837 0.005 0.000) 8.837 9.266 ( -11.606 -10.520 0.000) 15.664 9.768 ( -14.114 0.407 0.000) 14.120 10.176 ( 7.081 2.079 0.000) 7.380 10.505 ( -2.568 -13.768 0.000) 14.006 10.851 ( 5.596 -14.270 0.000) 15.328 10.934 ( -1.241 -11.822 0.000) 11.887 11.431 ( 22.281 1.421 0.000) 22.326 11.880 ( 0.118 -1.847 0.000) 1.851 12.332 ( -13.736 -4.581 0.000) 14.480 12.680 ( 6.546 -7.148 0.000) 9.692 12.845 ( -6.221 -0.730 0.000) 6.263 13.383 ( 8.509 8.310 0.000) 11.894 13.532 ( -6.618 3.858 0.000) 7.661 13.972 ( -11.109 13.248 0.000) 17.289 14.563 ( 15.754 -1.430 0.000) 15.818 14.885 ( 4.531 1.010 0.000) 4.643 15.272 ( 4.192 12.645 0.000) 13.322 15.721 ( -11.809 -5.116 0.000) 12.869 16.157 ( 5.439 -11.439 0.000) 12.666 16.452 ( -9.781 2.162 0.000) 10.017 17.285 ( 2.780 -23.319 0.000) 23.484 17.532 ( -8.222 -27.976 0.000) 29.159 19.233 ( 0.089 2.000 0.000) 2.002 19.248 ( -0.411 1.528 0.000) 1.582 20.012 ( 1.425 -7.427 0.000) 7.563 20.151 ( -4.301 -10.957 0.000) 11.771 21.338 ( 7.057 -2.628 0.000) 7.530 21.569 ( 3.318 -0.505 0.000) 3.356 21.802 ( 2.689 -1.601 0.000) 3.130 22.134 ( 7.654 8.730 0.000) 11.610 22.413 ( -10.406 0.177 0.000) 10.408 22.803 ( -13.072 13.846 0.000) 19.042 23.617 ( -2.301 10.303 0.000) 10.557 23.854 ( -2.402 10.141 0.000) 10.421 23.958 ( 0.472 8.511 0.000) 8.524 24.290 ( -8.311 14.493 0.000) 16.707 26.379 ( 10.059 -15.845 0.000) 18.768 26.639 ( 6.506 -18.947 0.000) 20.033 27.557 ( 3.721 3.046 0.000) 4.809 27.626 ( 5.632 2.161 0.000) 6.032 28.015 ( 4.299 0.715 0.000) 4.358 28.129 ( 4.576 3.712 0.000) 5.892 28.441 ( 0.729 -5.695 0.000) 5.741 28.594 ( 2.567 -3.380 0.000) 4.244 28.703 ( -2.720 -3.045 0.000) 4.083 28.794 ( -1.386 -2.465 0.000) 2.828 29.147 ( 10.322 -0.910 0.000) 10.362 29.940 ( -20.028 -11.553 0.000) 23.121 30.921 ( 21.106 14.776 0.000) 25.765 31.867 ( -18.639 7.929 0.000) 20.255 ======================= Grid point 12 (9/108) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -11.008 8.966 0.000) 14.198 1.848 ( 11.008 8.966 0.000) 14.198 2.086 ( -13.590 13.932 0.000) 19.463 2.086 ( 13.590 13.932 0.000) 19.463 2.707 ( -2.918 9.659 0.000) 10.090 2.707 ( 2.918 9.659 0.000) 10.090 3.350 ( -11.343 9.159 0.000) 14.579 3.350 ( 11.343 9.159 0.000) 14.579 3.632 ( -19.819 9.832 0.000) 22.124 3.632 ( 19.819 9.832 0.000) 22.124 4.640 ( -15.942 26.629 0.000) 31.036 4.640 ( 15.942 26.629 0.000) 31.036 5.523 ( -3.082 -11.744 0.000) 12.141 5.523 ( 3.082 -11.744 0.000) 12.141 6.002 ( -10.965 -0.331 0.000) 10.970 6.002 ( 10.965 -0.331 0.000) 10.970 6.693 ( -12.814 18.739 0.000) 22.701 6.693 ( 12.814 18.739 0.000) 22.701 7.821 ( -1.534 9.109 0.000) 9.237 7.821 ( 1.534 9.109 0.000) 9.237 8.612 ( -19.089 -6.641 0.000) 20.211 8.612 ( 19.089 -6.641 0.000) 20.211 9.451 ( -13.183 -4.701 0.000) 13.996 9.451 ( 13.183 -4.701 0.000) 13.996 10.366 ( -6.611 -10.088 0.000) 12.061 10.366 ( 6.611 -10.088 0.000) 12.061 10.909 ( -0.640 -10.198 0.000) 10.218 10.909 ( 0.640 -10.198 0.000) 10.218 11.864 ( -13.921 4.231 0.000) 14.550 11.864 ( 13.921 4.231 0.000) 14.550 12.286 ( -20.993 -5.905 0.000) 21.808 12.286 ( 20.993 -5.905 0.000) 21.808 13.192 ( -18.464 -3.827 0.000) 18.857 13.192 ( 18.464 -3.827 0.000) 18.857 13.684 ( -9.796 13.543 0.000) 16.714 13.684 ( 9.796 13.543 0.000) 16.714 14.870 ( -2.863 -3.452 0.000) 4.485 14.870 ( 2.863 -3.452 0.000) 4.485 15.440 ( -4.664 6.867 0.000) 8.301 15.440 ( 4.664 6.867 0.000) 8.301 16.274 ( -3.598 -5.133 0.000) 6.269 16.274 ( 3.598 -5.133 0.000) 6.269 17.375 ( -5.216 -25.126 0.000) 25.662 17.375 ( 5.216 -25.126 0.000) 25.662 19.238 ( -0.191 1.760 0.000) 1.770 19.238 ( 0.191 1.760 0.000) 1.770 20.063 ( -3.196 -8.903 0.000) 9.460 20.063 ( 3.196 -8.903 0.000) 9.460 21.499 ( -6.858 -2.544 0.000) 7.314 21.499 ( 6.858 -2.544 0.000) 7.314 22.036 ( -13.779 -0.875 0.000) 13.806 22.036 ( 13.779 -0.875 0.000) 13.806 22.465 ( -14.426 16.242 0.000) 21.724 22.465 ( 14.426 16.242 0.000) 21.724 23.702 ( -5.660 9.054 0.000) 10.677 23.702 ( 5.660 9.054 0.000) 10.677 24.103 ( -8.598 10.849 0.000) 13.843 24.103 ( 8.598 10.849 0.000) 13.843 26.589 ( -5.586 -18.162 0.000) 19.002 26.589 ( 5.586 -18.162 0.000) 19.002 27.629 ( -2.680 3.467 0.000) 4.382 27.629 ( 2.680 3.467 0.000) 4.382 28.142 ( -2.617 1.147 0.000) 2.858 28.142 ( 2.617 1.147 0.000) 2.858 28.560 ( -1.103 -7.945 0.000) 8.021 28.560 ( 1.103 -7.945 0.000) 8.021 28.715 ( -0.911 -2.558 0.000) 2.716 28.715 ( 0.911 -2.558 0.000) 2.716 29.493 ( -20.025 -7.514 0.000) 21.388 29.493 ( 20.025 -7.514 0.000) 21.388 31.402 ( -14.719 13.588 0.000) 20.032 31.402 ( 14.719 13.588 0.000) 20.032 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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| 1.778 ( 0.000 8.354 0.000) 8.354 2.074 ( 0.000 22.282 0.000) 22.282 2.389 ( 0.000 -7.687 0.000) 7.687 2.482 ( 0.000 2.327 0.000) 2.327 2.642 ( 0.000 11.093 0.000) 11.093 2.911 ( 0.000 13.774 0.000) 13.774 3.190 ( 0.000 22.697 0.000) 22.697 3.314 ( 0.000 3.837 0.000) 3.837 4.227 ( 0.000 17.849 0.000) 17.849 4.700 ( 0.000 3.997 0.000) 3.997 4.741 ( 0.000 -18.010 0.000) 18.010 5.035 ( 0.000 7.164 0.000) 7.164 5.259 ( 0.000 -5.943 0.000) 5.943 5.551 ( 0.000 9.036 0.000) 9.036 5.810 ( 0.000 19.149 0.000) 19.149 5.917 ( 0.000 8.684 0.000) 8.684 6.609 ( 0.000 14.081 0.000) 14.081 7.388 ( 0.000 23.051 0.000) 23.051 8.009 ( 0.000 -12.931 0.000) 12.931 8.143 ( 0.000 10.724 0.000) 10.724 8.434 ( 0.000 -13.809 0.000) 13.809 8.448 ( 0.000 19.578 0.000) 19.578 9.423 ( 0.000 0.187 0.000) 0.187 10.173 ( 0.000 -5.208 0.000) 5.208 10.186 ( 0.000 -20.618 0.000) 20.618 10.265 ( 0.000 17.466 0.000) 17.466 10.313 ( 0.000 -8.512 0.000) 8.512 10.626 ( 0.000 -20.532 0.000) 20.532 11.171 ( 0.000 -1.350 0.000) 1.350 11.886 ( 0.000 -1.578 0.000) 1.578 12.080 ( 0.000 -8.701 0.000) 8.701 12.719 ( 0.000 -0.129 0.000) 0.129 12.840 ( 0.000 -6.093 0.000) 6.093 13.540 ( 0.000 8.085 0.000) 8.085 13.698 ( 0.000 10.400 0.000) 10.400 14.271 ( 0.000 4.324 0.000) 4.324 14.442 ( 0.000 -1.052 0.000) 1.052 14.861 ( 0.000 4.670 0.000) 4.670 15.469 ( 0.000 10.929 0.000) 10.929 15.682 ( 0.000 -11.702 0.000) 11.702 15.806 ( 0.000 -7.509 0.000) 7.509 16.695 ( 0.000 5.858 0.000) 5.858 16.760 ( 0.000 -24.521 0.000) 24.521 16.995 ( 0.000 -31.207 0.000) 31.207 19.269 ( 0.000 1.490 0.000) 1.490 19.275 ( 0.000 0.729 0.000) 0.729 19.871 ( 0.000 -5.491 0.000) 5.491 19.979 ( 0.000 -9.193 0.000) 9.193 21.226 ( 0.000 -0.895 0.000) 0.895 21.460 ( 0.000 -1.245 0.000) 1.245 21.805 ( 0.000 -0.094 0.000) 0.094 22.203 ( 0.000 7.101 0.000) 7.101 22.499 ( 0.000 -2.873 0.000) 2.873 23.038 ( 0.000 3.898 0.000) 3.898 23.814 ( 0.000 5.523 0.000) 5.523 24.009 ( 0.000 8.817 0.000) 8.817 24.147 ( 0.000 2.725 0.000) 2.725 24.770 ( 0.000 15.399 0.000) 15.399 26.035 ( 0.000 -6.041 0.000) 6.041 26.281 ( 0.000 -8.185 0.000) 8.185 27.482 ( 0.000 0.264 0.000) 0.264 27.675 ( 0.000 4.784 0.000) 4.784 28.061 ( 0.000 -1.179 0.000) 1.179 28.085 ( 0.000 2.175 0.000) 2.175 28.388 ( 0.000 -3.383 0.000) 3.383 28.483 ( 0.000 -2.663 0.000) 2.663 28.700 ( 0.000 -2.037 0.000) 2.037 28.779 ( 0.000 0.304 0.000) 0.304 29.096 ( 0.000 2.976 0.000) 2.976 29.851 ( 0.000 -15.301 0.000) 15.301 31.029 ( 0.000 17.209 0.000) 17.209 32.123 ( 0.000 1.388 0.000) 1.388 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 4.791 6.530 0.000) 8.099 2.125 ( 1.466 14.865 0.000) 14.937 2.260 ( -6.002 2.780 0.000) 6.615 2.446 ( -3.560 4.215 0.000) 5.517 2.718 ( 5.847 6.203 0.000) 8.524 2.914 ( -0.616 9.590 0.000) 9.610 3.308 ( 8.334 12.101 0.000) 14.693 3.449 ( 13.062 11.521 0.000) 17.417 3.967 ( -19.037 13.153 0.000) 23.139 4.295 ( -23.053 1.247 0.000) 23.086 4.915 ( 0.525 4.341 0.000) 4.373 5.086 ( 4.763 -0.606 0.000) 4.801 5.288 ( 8.846 1.744 0.000) 9.017 5.498 ( -4.155 7.191 0.000) 8.305 5.904 ( 7.324 16.033 0.000) 17.627 6.159 ( 6.434 1.680 0.000) 6.649 6.677 ( 13.517 21.400 0.000) 25.311 7.460 ( -1.653 32.549 0.000) 32.591 7.799 ( -6.884 -15.904 0.000) 17.330 8.150 ( -13.000 5.535 0.000) 14.129 8.208 ( 5.243 4.039 0.000) 6.618 8.834 ( 20.939 -3.982 0.000) 21.314 9.142 ( -25.494 -1.813 0.000) 25.559 9.744 ( -17.147 -3.798 0.000) 17.563 10.211 ( -1.370 -8.368 0.000) 8.480 10.249 ( -1.342 -6.026 0.000) 6.173 10.611 ( 5.327 -9.447 0.000) 10.845 10.689 ( 8.372 -7.285 0.000) 11.098 11.420 ( 22.647 -3.064 0.000) 22.853 11.849 ( 1.705 0.210 0.000) 1.718 12.195 ( -1.728 -7.853 0.000) 8.041 12.587 ( -12.190 -3.438 0.000) 12.666 12.785 ( 3.019 -4.144 0.000) 5.127 13.525 ( -5.771 6.528 0.000) 8.714 13.713 ( 3.558 12.090 0.000) 12.603 14.201 ( -5.291 7.511 0.000) 9.188 14.523 ( 7.161 -1.898 0.000) 7.408 14.871 ( -0.340 -3.414 0.000) 3.431 15.473 ( -0.202 4.158 0.000) 4.163 15.586 ( -2.569 -2.972 0.000) 3.928 16.002 ( 11.780 -3.445 0.000) 12.274 16.531 ( -11.909 1.775 0.000) 12.040 16.794 ( 1.136 -21.514 0.000) 21.544 16.927 ( -5.028 -29.134 0.000) 29.565 19.268 ( -0.070 1.401 0.000) 1.403 19.273 ( -0.194 0.893 0.000) 0.914 19.874 ( 0.428 -5.935 0.000) 5.951 19.945 ( -2.578 -8.437 0.000) 8.822 21.301 ( 6.379 -1.110 0.000) 6.475 21.544 ( 3.392 -1.234 0.000) 3.609 21.777 ( 1.709 -0.738 0.000) 1.862 22.231 ( -4.195 -0.058 0.000) 4.196 22.478 ( 4.895 5.822 0.000) 7.607 22.994 ( -6.344 5.876 0.000) 8.647 23.779 ( -0.735 6.437 0.000) 6.479 24.039 ( -7.190 5.653 0.000) 9.146 24.114 ( 7.251 7.977 0.000) 10.780 24.602 ( -12.255 14.928 0.000) 19.314 26.131 ( 7.401 -8.352 0.000) 11.160 26.342 ( 2.117 -11.052 0.000) 11.253 27.551 ( 5.151 -2.374 0.000) 5.672 27.687 ( 0.169 1.924 0.000) 1.932 28.036 ( 2.341 0.972 0.000) 2.535 28.208 ( 6.611 3.072 0.000) 7.290 28.320 ( -3.570 -5.691 0.000) 6.718 28.542 ( 2.213 -1.452 0.000) 2.647 28.634 ( -3.123 -3.203 0.000) 4.474 28.793 ( -1.233 1.511 0.000) 1.951 29.144 ( 5.706 0.573 0.000) 5.734 29.675 ( -13.827 -11.216 0.000) 17.804 31.238 ( 16.696 13.958 0.000) 21.761 31.984 ( -12.334 4.159 0.000) 13.017 ======================= Grid point 17 (12/108) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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| 1.980 ( -8.984 3.898 0.000) 9.793 1.980 ( 8.984 3.898 0.000) 9.793 2.332 ( -6.570 9.753 0.000) 11.759 2.332 ( 6.570 9.753 0.000) 11.759 2.850 ( -4.424 5.063 0.000) 6.724 2.850 ( 4.424 5.063 0.000) 6.724 3.564 ( -15.255 10.739 0.000) 18.656 3.564 ( 15.255 10.739 0.000) 18.656 3.815 ( -19.471 8.433 0.000) 21.219 3.815 ( 19.471 8.433 0.000) 21.219 5.025 ( -2.501 5.513 0.000) 6.054 5.025 ( 2.501 5.513 0.000) 6.054 5.442 ( -3.686 5.774 0.000) 6.851 5.442 ( 3.686 5.774 0.000) 6.851 6.081 ( -3.932 7.468 0.000) 8.440 6.081 ( 3.932 7.468 0.000) 8.440 7.133 ( -21.011 24.401 0.000) 32.201 7.133 ( 21.011 24.401 0.000) 32.201 7.885 ( -9.507 -2.794 0.000) 9.909 7.885 ( 9.507 -2.794 0.000) 9.909 8.542 ( -24.872 1.882 0.000) 24.943 8.542 ( 24.872 1.882 0.000) 24.943 9.315 ( -18.538 -8.375 0.000) 20.342 9.315 ( 18.538 -8.375 0.000) 20.342 10.222 ( -0.945 -6.724 0.000) 6.790 10.222 ( 0.945 -6.724 0.000) 6.790 10.718 ( -1.177 -6.638 0.000) 6.741 10.718 ( 1.177 -6.638 0.000) 6.741 11.921 ( -6.052 0.510 0.000) 6.074 11.921 ( 6.052 0.510 0.000) 6.074 12.124 ( -12.949 -8.075 0.000) 15.261 12.124 ( 12.949 -8.075 0.000) 15.261 13.156 ( -18.612 0.084 0.000) 18.613 13.156 ( 18.612 0.084 0.000) 18.613 13.969 ( -6.051 13.979 0.000) 15.233 13.969 ( 6.051 13.979 0.000) 15.233 14.751 ( -4.573 -8.434 0.000) 9.594 14.751 ( 4.573 -8.434 0.000) 9.594 15.523 ( -0.419 1.874 0.000) 1.920 15.523 ( 0.419 1.874 0.000) 1.920 16.260 ( -5.998 2.092 0.000) 6.352 16.260 ( 5.998 2.092 0.000) 6.352 16.832 ( -0.518 -25.855 0.000) 25.860 16.832 ( 0.518 -25.855 0.000) 25.860 19.269 ( -0.016 1.188 0.000) 1.189 19.269 ( 0.016 1.188 0.000) 1.189 19.896 ( -0.750 -7.061 0.000) 7.100 19.896 ( 0.750 -7.061 0.000) 7.100 21.463 ( -4.286 -0.943 0.000) 4.389 21.463 ( 4.286 -0.943 0.000) 4.389 21.992 ( -9.027 -2.750 0.000) 9.436 21.992 ( 9.027 -2.750 0.000) 9.436 22.740 ( -14.566 10.048 0.000) 17.696 22.740 ( 14.566 10.048 0.000) 17.696 23.857 ( -6.383 5.616 0.000) 8.502 23.857 ( 6.383 5.616 0.000) 8.502 24.335 ( -11.307 11.464 0.000) 16.102 24.335 ( 11.307 11.464 0.000) 16.102 26.292 ( -4.526 -10.721 0.000) 11.637 26.292 ( 4.526 -10.721 0.000) 11.637 27.649 ( -2.453 -2.093 0.000) 3.225 27.649 ( 2.453 -2.093 0.000) 3.225 28.156 ( -3.964 0.056 0.000) 3.964 28.156 ( 3.964 0.056 0.000) 3.964 28.435 ( -2.192 -3.828 0.000) 4.411 28.435 ( 2.192 -3.828 0.000) 4.411 28.703 ( -1.506 0.905 0.000) 1.757 28.703 ( 1.506 0.905 0.000) 1.757 29.361 ( -12.579 -4.835 0.000) 13.477 29.361 ( 12.579 -4.835 0.000) 13.477 31.637 ( -15.706 9.314 0.000) 18.260 31.637 ( 15.706 9.314 0.000) 18.260 ======================= Grid point 20 (13/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 0.608 0.000) 0.608 2.271 ( 0.000 -3.854 0.000) 3.854 2.397 ( 0.000 9.644 0.000) 9.644 2.519 ( 0.000 1.238 0.000) 1.238 2.829 ( 0.000 7.161 0.000) 7.161 3.053 ( 0.000 1.303 0.000) 1.303 3.456 ( 0.000 10.025 0.000) 10.025 3.680 ( 0.000 22.047 0.000) 22.047 4.354 ( 0.000 -17.206 0.000) 17.206 4.523 ( 0.000 7.062 0.000) 7.062 4.677 ( 0.000 -0.157 0.000) 0.157 5.031 ( 0.000 -3.594 0.000) 3.594 5.188 ( 0.000 -1.251 0.000) 1.251 5.727 ( 0.000 6.843 0.000) 6.843 6.068 ( 0.000 5.102 0.000) 5.102 6.250 ( 0.000 15.885 0.000) 15.885 6.959 ( 0.000 17.921 0.000) 17.921 7.367 ( 0.000 -16.128 0.000) 16.128 8.218 ( 0.000 -0.033 0.000) 0.033 8.281 ( 0.000 23.372 0.000) 23.372 8.341 ( 0.000 9.838 0.000) 9.838 8.804 ( 0.000 16.000 0.000) 16.000 9.422 ( 0.000 -1.673 0.000) 1.673 9.724 ( 0.000 -22.547 0.000) 22.547 9.931 ( 0.000 -21.728 0.000) 21.728 10.158 ( 0.000 -3.254 0.000) 3.254 10.314 ( 0.000 -7.682 0.000) 7.682 10.667 ( 0.000 18.349 0.000) 18.349 11.100 ( 0.000 -5.164 0.000) 5.164 11.906 ( 0.000 2.492 0.000) 2.492 11.942 ( 0.000 -4.430 0.000) 4.430 12.659 ( 0.000 -9.954 0.000) 9.954 12.728 ( 0.000 0.661 0.000) 0.661 13.742 ( 0.000 11.405 0.000) 11.405 13.896 ( 0.000 8.973 0.000) 8.973 14.262 ( 0.000 -4.685 0.000) 4.685 14.325 ( 0.000 -9.698 0.000) 9.698 14.998 ( 0.000 7.947 0.000) 7.947 15.475 ( 0.000 -7.488 0.000) 7.488 15.672 ( 0.000 9.745 0.000) 9.745 15.761 ( 0.000 1.334 0.000) 1.334 16.302 ( 0.000 -19.835 0.000) 19.835 16.422 ( 0.000 -22.384 0.000) 22.384 16.809 ( 0.000 3.748 0.000) 3.748 19.284 ( 0.000 0.217 0.000) 0.217 19.292 ( 0.000 0.684 0.000) 0.684 19.784 ( 0.000 -2.686 0.000) 2.686 19.842 ( 0.000 -4.531 0.000) 4.531 21.210 ( 0.000 -0.701 0.000) 0.701 21.449 ( 0.000 0.075 0.000) 0.075 21.815 ( 0.000 0.815 0.000) 0.815 22.297 ( 0.000 2.353 0.000) 2.353 22.442 ( 0.000 -2.372 0.000) 2.372 23.086 ( 0.000 1.123 0.000) 1.123 23.935 ( 0.000 6.124 0.000) 6.124 24.152 ( 0.000 -2.012 0.000) 2.012 24.160 ( 0.000 5.559 0.000) 5.559 25.025 ( 0.000 9.147 0.000) 9.147 25.965 ( 0.000 -1.069 0.000) 1.069 26.134 ( 0.000 -6.078 0.000) 6.078 27.484 ( 0.000 -0.103 0.000) 0.103 27.746 ( 0.000 2.242 0.000) 2.242 27.978 ( 0.000 -5.461 0.000) 5.461 28.118 ( 0.000 1.023 0.000) 1.023 28.348 ( 0.000 -0.721 0.000) 0.721 28.447 ( 0.000 -0.991 0.000) 0.991 28.669 ( 0.000 -0.939 0.000) 0.939 28.789 ( 0.000 0.559 0.000) 0.559 29.154 ( 0.000 2.384 0.000) 2.384 29.645 ( 0.000 -5.568 0.000) 5.568 31.289 ( 0.000 8.413 0.000) 8.413 32.146 ( 0.000 0.774 0.000) 0.774 ======================= Grid point 21 (14/108) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.114 0.983 0.000) 4.229 2.185 ( -6.846 -1.519 0.000) 7.012 2.428 ( 2.155 7.516 0.000) 7.818 2.510 ( -0.960 2.024 0.000) 2.240 2.850 ( 2.188 5.670 0.000) 6.078 3.012 ( -3.470 0.971 0.000) 3.603 3.517 ( 6.233 9.500 0.000) 11.362 3.754 ( 6.501 13.994 0.000) 15.431 4.069 ( -17.321 -3.582 0.000) 17.688 4.326 ( -16.439 3.252 0.000) 16.758 4.863 ( 10.622 -0.509 0.000) 10.635 5.112 ( -0.931 1.152 0.000) 1.481 5.296 ( 17.246 -1.021 0.000) 17.276 5.678 ( -4.358 7.094 0.000) 8.326 6.185 ( 4.969 3.840 0.000) 6.280 6.231 ( -1.872 8.244 0.000) 8.454 7.145 ( 16.161 20.609 0.000) 26.190 7.414 ( 3.300 -16.729 0.000) 17.052 8.066 ( -9.975 0.384 0.000) 9.983 8.219 ( -3.874 32.716 0.000) 32.944 8.414 ( 3.407 8.769 0.000) 9.407 8.847 ( 6.457 5.360 0.000) 8.392 9.122 ( -22.132 -1.062 0.000) 22.157 9.617 ( -19.945 -8.751 0.000) 21.780 9.846 ( 4.572 -22.018 0.000) 22.488 10.099 ( -4.922 -11.241 0.000) 12.272 10.420 ( 10.961 -5.464 0.000) 12.248 10.790 ( 2.895 9.953 0.000) 10.365 11.331 ( 20.720 -4.259 0.000) 21.154 11.900 ( 2.277 4.028 0.000) 4.627 12.059 ( 2.165 -4.999 0.000) 5.448 12.484 ( -19.000 -6.309 0.000) 20.020 12.728 ( 10.141 -1.313 0.000) 10.226 13.658 ( -15.218 6.256 0.000) 16.453 13.960 ( 7.460 10.098 0.000) 12.555 14.209 ( 7.321 -3.404 0.000) 8.074 14.509 ( 5.763 -3.654 0.000) 6.824 14.799 ( -14.275 0.452 0.000) 14.282 15.428 ( 0.347 -3.516 0.000) 3.533 15.672 ( -2.450 6.951 0.000) 7.370 15.993 ( 14.728 0.691 0.000) 14.744 16.247 ( -3.211 -20.332 0.000) 20.584 16.408 ( -0.546 -17.654 0.000) 17.662 16.717 ( -8.178 2.991 0.000) 8.708 19.284 ( 0.047 0.343 0.000) 0.346 19.290 ( -0.156 0.668 0.000) 0.686 19.781 ( -0.154 -2.991 0.000) 2.995 19.819 ( -1.746 -4.113 0.000) 4.469 21.287 ( 6.622 -0.425 0.000) 6.635 21.530 ( 4.074 -0.193 0.000) 4.079 21.773 ( -0.600 0.224 0.000) 0.641 22.192 ( -9.447 -2.458 0.000) 9.762 22.580 ( 12.076 3.399 0.000) 12.545 23.069 ( -3.322 1.918 0.000) 3.836 23.895 ( -1.974 5.134 0.000) 5.500 24.071 ( -6.587 -1.323 0.000) 6.719 24.273 ( 9.554 6.306 0.000) 11.448 24.854 ( -13.586 9.115 0.000) 16.360 26.031 ( 5.376 -1.972 0.000) 5.726 26.170 ( 1.614 -6.044 0.000) 6.256 27.499 ( 1.697 -2.053 0.000) 2.664 27.669 ( -5.200 -3.224 0.000) 6.118 28.054 ( 4.902 1.026 0.000) 5.009 28.180 ( 4.196 -3.477 0.000) 5.450 28.296 ( -1.748 1.428 0.000) 2.258 28.535 ( 1.363 0.575 0.000) 1.480 28.583 ( -0.900 -1.781 0.000) 1.996 28.829 ( 0.130 1.560 0.000) 1.566 29.163 ( 2.288 1.014 0.000) 2.503 29.522 ( -9.852 -4.160 0.000) 10.694 31.453 ( 13.469 7.088 0.000) 15.220 32.045 ( -9.120 1.923 0.000) 9.321 ======================= Grid point 22 (15/108) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -7.358 0.689 0.000) 7.390 2.021 ( 7.358 0.689 0.000) 7.390 2.476 ( -1.706 4.461 0.000) 4.776 2.476 ( 1.706 4.461 0.000) 4.776 2.923 ( -3.440 2.159 0.000) 4.061 2.923 ( 3.440 2.159 0.000) 4.061 3.729 ( -11.637 4.984 0.000) 12.660 3.729 ( 11.637 4.984 0.000) 12.660 3.971 ( -13.979 6.232 0.000) 15.306 3.971 ( 13.979 6.232 0.000) 15.306 5.060 ( -2.144 2.116 0.000) 3.013 5.060 ( 2.144 2.116 0.000) 3.013 5.576 ( -3.727 4.794 0.000) 6.073 5.576 ( 3.727 4.794 0.000) 6.073 6.207 ( -0.089 3.275 0.000) 3.276 6.207 ( 0.089 3.275 0.000) 3.276 7.430 ( -2.481 -1.493 0.000) 2.895 7.430 ( 2.481 -1.493 0.000) 2.895 8.028 ( -9.214 22.989 0.000) 24.767 8.028 ( 9.214 22.989 0.000) 24.767 8.638 ( -16.680 5.435 0.000) 17.543 8.638 ( 16.680 5.435 0.000) 17.543 9.154 ( -15.478 -6.463 0.000) 16.773 9.154 ( 15.478 -6.463 0.000) 16.773 9.979 ( -3.704 -16.542 0.000) 16.951 9.979 ( 3.704 -16.542 0.000) 16.951 10.683 ( -9.281 1.600 0.000) 9.418 10.683 ( 9.281 1.600 0.000) 9.418 11.848 ( -19.865 -5.456 0.000) 20.600 11.848 ( 19.865 -5.456 0.000) 20.600 12.061 ( -10.268 0.943 0.000) 10.312 12.061 ( 10.268 0.943 0.000) 10.312 13.166 ( -23.353 0.270 0.000) 23.354 13.166 ( 23.353 0.270 0.000) 23.354 14.222 ( -4.778 9.275 0.000) 10.433 14.222 ( 4.778 9.275 0.000) 10.433 14.578 ( -1.029 -6.072 0.000) 6.159 14.578 ( 1.029 -6.072 0.000) 6.159 15.535 ( -1.786 -0.883 0.000) 1.992 15.535 ( 1.786 -0.883 0.000) 1.992 16.199 ( -0.326 -10.695 0.000) 10.700 16.199 ( 0.326 -10.695 0.000) 10.700 16.498 ( -2.605 -3.452 0.000) 4.325 16.498 ( 2.605 -3.452 0.000) 4.325 19.286 ( -0.021 0.562 0.000) 0.562 19.286 ( 0.021 0.562 0.000) 0.562 19.787 ( -0.345 -3.517 0.000) 3.534 19.787 ( 0.345 -3.517 0.000) 3.534 21.457 ( -4.471 0.187 0.000) 4.475 21.457 ( 4.471 0.187 0.000) 4.475 21.938 ( -7.964 -2.215 0.000) 8.266 21.938 ( 7.964 -2.215 0.000) 8.266 22.881 ( -13.429 4.243 0.000) 14.084 22.881 ( 13.429 4.243 0.000) 14.084 23.926 ( -4.933 1.562 0.000) 5.175 23.926 ( 4.933 1.562 0.000) 5.175 24.538 ( -14.169 7.709 0.000) 16.130 24.538 ( 14.169 7.709 0.000) 16.130 26.146 ( -3.488 -4.118 0.000) 5.396 26.146 ( 3.488 -4.118 0.000) 5.396 27.564 ( -2.899 -4.884 0.000) 5.680 27.564 ( 2.899 -4.884 0.000) 5.680 28.156 ( -1.794 0.178 0.000) 1.803 28.156 ( 1.794 0.178 0.000) 1.803 28.392 ( -3.167 -1.008 0.000) 3.324 28.392 ( 3.167 -1.008 0.000) 3.324 28.737 ( -3.963 1.841 0.000) 4.369 28.737 ( 3.963 1.841 0.000) 4.369 29.298 ( -9.428 -1.644 0.000) 9.570 29.298 ( 9.428 -1.644 0.000) 9.570 31.777 ( -14.415 4.502 0.000) 15.102 31.777 ( 14.415 4.502 0.000) 15.102 ======================= Grid point 25 (16/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 -0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.021 ( 0.000 0.000 0.000) 0.000 11.898 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 -0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 15.105 ( 0.000 0.000 0.000) 0.000 15.397 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 -0.000 0.000) 0.000 16.168 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 19.286 ( 0.000 0.000 0.000) 0.000 19.298 ( 0.000 0.000 0.000) 0.000 19.762 ( 0.000 0.000 0.000) 0.000 19.792 ( 0.000 0.000 0.000) 0.000 21.202 ( 0.000 0.000 0.000) 0.000 21.453 ( 0.000 0.000 0.000) 0.000 21.826 ( 0.000 0.000 0.000) 0.000 22.317 ( 0.000 0.000 0.000) 0.000 22.416 ( 0.000 0.000 0.000) 0.000 23.096 ( 0.000 0.000 0.000) 0.000 24.030 ( 0.000 0.000 0.000) 0.000 24.099 ( 0.000 0.000 0.000) 0.000 24.219 ( 0.000 0.000 0.000) 0.000 25.121 ( 0.000 0.000 0.000) 0.000 25.967 ( 0.000 0.000 0.000) 0.000 26.060 ( 0.000 0.000 0.000) 0.000 27.481 ( 0.000 0.000 0.000) 0.000 27.769 ( 0.000 0.000 0.000) 0.000 27.912 ( 0.000 0.000 0.000) 0.000 28.128 ( 0.000 0.000 0.000) 0.000 28.343 ( 0.000 0.000 0.000) 0.000 28.438 ( 0.000 0.000 0.000) 0.000 28.660 ( 0.000 0.000 0.000) 0.000 28.796 ( 0.000 0.000 0.000) 0.000 29.180 ( 0.000 0.000 0.000) 0.000 29.593 ( 0.000 0.000 0.000) 0.000 31.374 ( 0.000 0.000 0.000) 0.000 32.154 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 27 (17/108) ======================= q-point: ( 0.25 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 4.433 0.000 0.000) 4.433 2.166 ( -5.527 0.000 0.000) 5.527 2.502 ( 0.848 0.000 0.000) 0.848 2.529 ( -0.194 0.000 0.000) 0.194 2.919 ( 0.532 0.000 0.000) 0.532 3.005 ( -3.157 0.000 0.000) 3.157 3.644 ( 3.813 0.000 0.000) 3.813 3.893 ( -0.620 0.000 0.000) 0.620 4.005 ( -9.784 0.000 0.000) 9.784 4.360 ( -14.564 0.000 0.000) 14.564 4.885 ( 11.535 0.000 0.000) 11.535 5.131 ( -0.181 0.000 0.000) 0.181 5.274 ( 20.383 0.000 0.000) 20.383 5.753 ( -4.665 0.000 0.000) 4.665 6.210 ( 4.306 0.000 0.000) 4.306 6.318 ( -6.503 0.000 0.000) 6.503 7.223 ( 5.121 0.000 0.000) 5.121 7.366 ( 12.473 0.000 0.000) 12.473 8.052 ( -3.731 0.000 0.000) 3.731 8.508 ( 3.696 0.000 0.000) 3.696 8.729 ( 1.493 0.000 0.000) 1.493 8.959 ( -10.182 0.000 0.000) 10.182 9.167 ( -15.371 0.000 0.000) 15.371 9.287 ( -9.515 -0.000 0.000) 9.515 9.627 ( 3.899 0.000 0.000) 3.899 9.942 ( -13.408 0.000 0.000) 13.408 10.375 ( 13.883 0.000 0.000) 13.883 10.910 ( -3.233 0.000 0.000) 3.233 11.288 ( 21.394 0.000 0.000) 21.394 11.968 ( 2.808 0.000 0.000) 2.808 11.992 ( 2.216 0.000 0.000) 2.216 12.402 ( -14.739 0.000 0.000) 14.739 12.717 ( 8.500 0.000 0.000) 8.500 13.741 ( -24.108 0.000 0.000) 24.108 14.011 ( 10.695 0.000 0.000) 10.695 14.272 ( 15.396 0.000 0.000) 15.396 14.370 ( 4.814 -0.000 0.000) 4.814 14.849 ( -17.148 0.000 0.000) 17.148 15.385 ( 0.677 0.000 0.000) 0.677 15.807 ( -13.319 0.000 0.000) 13.319 15.928 ( 6.321 -0.000 0.000) 6.321 16.021 ( 10.826 0.000 0.000) 10.826 16.235 ( 5.610 0.000 0.000) 5.610 16.753 ( -8.704 0.000 0.000) 8.704 19.288 ( 0.157 0.000 0.000) 0.157 19.296 ( -0.165 0.000 0.000) 0.165 19.753 ( -0.525 0.000 0.000) 0.525 19.775 ( -1.314 0.000 0.000) 1.314 21.282 ( 6.957 0.000 0.000) 6.957 21.529 ( 4.257 0.000 0.000) 4.257 21.778 ( -1.739 0.000 0.000) 1.739 22.163 ( -10.216 0.000 0.000) 10.216 22.613 ( 13.686 0.000 0.000) 13.686 23.086 ( -2.380 0.000 0.000) 2.380 23.971 ( -4.085 0.000 0.000) 4.085 24.030 ( -4.967 0.000 0.000) 4.967 24.340 ( 10.106 0.000 0.000) 10.106 24.950 ( -13.879 0.000 0.000) 13.879 26.022 ( 4.389 0.000 0.000) 4.389 26.102 ( 2.419 0.000 0.000) 2.419 27.479 ( 0.096 0.000 0.000) 0.096 27.620 ( -7.563 0.000 0.000) 7.563 28.071 ( 8.114 0.000 0.000) 8.114 28.141 ( 1.100 0.000 0.000) 1.100 28.311 ( -0.588 0.000 0.000) 0.588 28.550 ( -7.599 0.000 0.000) 7.599 28.559 ( 8.894 0.000 0.000) 8.894 28.846 ( 0.887 0.000 0.000) 0.887 29.175 ( 1.014 0.000 0.000) 1.014 29.484 ( -8.844 0.000 0.000) 8.844 31.525 ( 12.413 0.000 0.000) 12.413 32.065 ( -8.136 0.000 0.000) 8.136 ======================= Grid point 29 (18/108) ======================= q-point: (-0.50 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -6.855 0.000 0.000) 6.855 2.026 ( 6.855 0.000 0.000) 6.855 2.520 ( -0.704 0.000 0.000) 0.704 2.520 ( 0.704 0.000 0.000) 0.704 2.943 ( -2.010 0.000 0.000) 2.010 2.943 ( 2.010 0.000 0.000) 2.010 3.776 ( -8.426 0.000 0.000) 8.426 3.776 ( 8.426 0.000 0.000) 8.426 4.038 ( -12.027 0.000 0.000) 12.027 4.038 ( 12.027 0.000 0.000) 12.027 5.099 ( -6.036 0.000 0.000) 6.036 5.099 ( 6.036 0.000 0.000) 6.036 5.623 ( -9.260 0.000 0.000) 9.260 5.623 ( 9.260 0.000 0.000) 9.260 6.230 ( -0.098 0.000 0.000) 0.098 6.230 ( 0.098 0.000 0.000) 0.098 7.368 ( -7.826 0.000 0.000) 7.826 7.368 ( 7.826 0.000 0.000) 7.826 8.365 ( -25.538 0.000 0.000) 25.538 8.365 ( 25.538 0.000 0.000) 25.538 8.714 ( -9.792 0.000 0.000) 9.792 8.714 ( 9.792 0.000 0.000) 9.792 9.083 ( -7.553 0.000 0.000) 7.553 9.083 ( 7.553 0.000 0.000) 7.553 9.737 ( -6.571 0.000 0.000) 6.571 9.737 ( 6.571 0.000 0.000) 6.571 10.707 ( -14.423 0.000 0.000) 14.423 10.707 ( 14.423 0.000 0.000) 14.423 11.788 ( -21.244 0.000 0.000) 21.244 11.788 ( 21.244 0.000 0.000) 21.244 12.081 ( -9.128 0.000 0.000) 9.128 12.081 ( 9.128 0.000 0.000) 9.128 13.166 ( -27.573 0.000 0.000) 27.573 13.166 ( 27.573 0.000 0.000) 27.573 14.296 ( -12.286 0.000 0.000) 12.286 14.296 ( 12.286 0.000 0.000) 12.286 14.547 ( -10.369 0.000 0.000) 10.369 14.547 ( 10.369 0.000 0.000) 10.369 15.508 ( -11.436 0.000 0.000) 11.436 15.508 ( 11.436 0.000 0.000) 11.436 16.059 ( -4.588 0.000 0.000) 4.588 16.059 ( 4.588 0.000 0.000) 4.588 16.495 ( -14.538 0.000 0.000) 14.538 16.495 ( 14.538 0.000 0.000) 14.538 19.292 ( -0.222 0.000 0.000) 0.222 19.292 ( 0.222 0.000 0.000) 0.222 19.752 ( -0.575 0.000 0.000) 0.575 19.752 ( 0.575 0.000 0.000) 0.575 21.461 ( -8.412 0.000 0.000) 8.412 21.461 ( 8.412 0.000 0.000) 8.412 21.914 ( -11.838 0.000 0.000) 11.838 21.914 ( 11.838 0.000 0.000) 11.838 22.923 ( -12.888 0.000 0.000) 12.888 22.923 ( 12.888 0.000 0.000) 12.888 23.939 ( -2.129 0.000 0.000) 2.129 23.939 ( 2.129 0.000 0.000) 2.129 24.620 ( -15.254 0.000 0.000) 15.254 24.620 ( 15.254 0.000 0.000) 15.254 26.107 ( -2.395 0.000 0.000) 2.395 26.107 ( 2.395 0.000 0.000) 2.395 27.506 ( -2.959 0.000 0.000) 2.959 27.506 ( 2.959 0.000 0.000) 2.959 28.159 ( -0.201 0.000 0.000) 0.201 28.159 ( 0.201 0.000 0.000) 0.201 28.382 ( -7.094 0.000 0.000) 7.094 28.382 ( 7.094 0.000 0.000) 7.094 28.758 ( -8.249 0.000 0.000) 8.249 28.758 ( 8.249 0.000 0.000) 8.249 29.283 ( -8.486 0.000 0.000) 8.486 29.283 ( 8.486 0.000 0.000) 8.486 31.823 ( -13.696 0.000 0.000) 13.696 31.823 ( 13.696 0.000 0.000) 13.696 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 0.000 37.587) 37.587 0.776 ( 0.000 0.000 38.148) 38.148 1.310 ( 0.000 0.000 63.805) 63.805 2.173 ( 0.000 0.000 1.690) 1.690 2.406 ( 0.000 0.000 4.016) 4.016 2.741 ( 0.000 0.000 -1.305) 1.305 2.808 ( 0.000 0.000 -7.113) 7.113 3.072 ( 0.000 0.000 3.529) 3.529 3.568 ( 0.000 0.000 12.695) 12.695 3.855 ( 0.000 0.000 24.190) 24.190 4.190 ( 0.000 0.000 5.909) 5.909 5.084 ( 0.000 0.000 -3.589) 3.589 5.416 ( 0.000 0.000 -9.950) 9.950 5.861 ( 0.000 0.000 -6.126) 6.126 5.979 ( 0.000 0.000 -0.006) 0.006 6.009 ( 0.000 0.000 -1.487) 1.487 6.118 ( 0.000 0.000 -6.164) 6.164 6.490 ( 0.000 0.000 2.956) 2.956 7.157 ( 0.000 0.000 14.899) 14.899 7.922 ( 0.000 0.000 4.679) 4.679 8.690 ( 0.000 0.000 -8.184) 8.184 8.731 ( 0.000 0.000 -3.283) 3.283 9.488 ( 0.000 0.000 -1.825) 1.825 9.846 ( 0.000 0.000 -7.904) 7.904 10.105 ( 0.000 0.000 -1.732) 1.732 10.683 ( 0.000 0.000 -8.265) 8.265 11.081 ( 0.000 0.000 -9.188) 9.188 11.161 ( 0.000 0.000 10.036) 10.036 11.219 ( 0.000 0.000 -1.458) 1.458 12.348 ( 0.000 0.000 3.403) 3.403 12.495 ( 0.000 0.000 -9.038) 9.038 12.556 ( 0.000 0.000 9.216) 9.216 12.871 ( 0.000 0.000 5.946) 5.946 13.222 ( 0.000 0.000 -8.012) 8.012 13.597 ( 0.000 0.000 6.834) 6.834 13.679 ( 0.000 0.000 -0.984) 0.984 14.192 ( 0.000 0.000 -6.754) 6.754 14.769 ( 0.000 0.000 -10.744) 10.744 14.926 ( 0.000 0.000 2.939) 2.939 15.611 ( 0.000 0.000 -10.367) 10.367 16.402 ( 0.000 0.000 -14.580) 14.580 16.508 ( 0.000 0.000 -9.612) 9.612 17.758 ( 0.000 0.000 -0.929) 0.929 18.038 ( 0.000 0.000 3.325) 3.325 19.395 ( 0.000 0.000 17.419) 17.419 19.589 ( 0.000 0.000 2.313) 2.313 20.228 ( 0.000 0.000 -16.982) 16.982 21.119 ( 0.000 0.000 -12.931) 12.931 21.468 ( 0.000 0.000 5.639) 5.639 21.573 ( 0.000 0.000 -8.730) 8.730 21.654 ( 0.000 0.000 -6.215) 6.215 21.997 ( 0.000 0.000 8.888) 8.888 22.056 ( 0.000 0.000 12.943) 12.943 22.774 ( 0.000 0.000 12.419) 12.419 23.102 ( 0.000 0.000 4.061) 4.061 23.628 ( 0.000 0.000 3.028) 3.028 23.877 ( 0.000 0.000 10.583) 10.583 24.141 ( 0.000 0.000 10.637) 10.637 26.434 ( 0.000 0.000 -1.342) 1.342 26.638 ( 0.000 0.000 -9.520) 9.520 27.456 ( 0.000 0.000 6.340) 6.340 27.649 ( 0.000 0.000 -4.721) 4.721 28.007 ( 0.000 0.000 2.752) 2.752 28.310 ( 0.000 0.000 5.296) 5.296 28.389 ( 0.000 0.000 2.382) 2.382 28.590 ( 0.000 0.000 -5.189) 5.189 28.865 ( 0.000 0.000 0.237) 0.237 29.270 ( 0.000 0.000 2.831) 2.831 29.325 ( 0.000 0.000 -2.361) 2.361 29.822 ( 0.000 0.000 13.069) 13.069 30.732 ( 0.000 0.000 -12.705) 12.705 31.392 ( 0.000 0.000 -1.955) 1.955 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 26.227 0.000 23.735) 35.372 1.141 ( 24.326 0.000 24.167) 34.290 1.690 ( 35.927 0.000 38.046) 52.328 2.069 ( -9.916 0.000 3.996) 10.691 2.221 ( -16.546 0.000 3.621) 16.937 2.759 ( -6.326 0.000 -1.668) 6.542 3.030 ( 10.702 0.000 -3.185) 11.166 3.066 ( -0.481 0.000 4.773) 4.797 3.459 ( -4.152 0.000 8.717) 9.656 3.692 ( -11.425 0.000 20.373) 23.358 3.997 ( -4.752 0.000 10.973) 11.958 4.799 ( -24.961 0.000 -4.965) 25.450 5.579 ( 11.368 0.000 -9.321) 14.700 5.906 ( 0.857 0.000 -5.896) 5.958 6.014 ( 2.746 0.000 1.712) 3.236 6.080 ( 1.097 0.000 -4.227) 4.367 6.198 ( 8.798 0.000 0.294) 8.803 6.440 ( -3.530 0.000 11.916) 12.428 7.272 ( 9.298 0.000 2.906) 9.741 7.771 ( -10.903 0.000 5.054) 12.018 8.679 ( -3.153 0.000 -3.752) 4.901 8.732 ( 0.878 0.000 -6.683) 6.740 9.518 ( 1.893 0.000 -0.440) 1.943 9.734 ( -10.850 0.000 -4.248) 11.652 10.202 ( 15.192 0.000 -3.460) 15.581 10.718 ( 1.814 0.000 -11.184) 11.330 11.112 ( 2.157 0.000 -8.161) 8.441 11.171 ( -1.074 0.000 -1.751) 2.054 11.500 ( 21.314 0.000 5.594) 22.036 11.980 ( -16.415 0.000 1.628) 16.495 12.279 ( -11.825 0.000 -5.325) 12.969 12.817 ( -22.058 0.000 -2.126) 22.160 13.012 ( 15.346 0.000 4.112) 15.887 13.090 ( 13.499 0.000 4.217) 14.142 13.551 ( -3.658 0.000 6.728) 7.658 13.755 ( -5.210 0.000 1.755) 5.498 14.512 ( 22.535 0.000 -16.730) 28.066 14.779 ( 0.607 0.000 -10.910) 10.927 14.878 ( 0.370 0.000 2.517) 2.544 15.471 ( -12.416 0.000 -10.154) 16.039 16.416 ( 0.892 0.000 -14.476) 14.504 16.454 ( -2.384 0.000 -11.075) 11.328 17.804 ( 3.883 0.000 -0.282) 3.893 18.000 ( -3.406 0.000 2.827) 4.426 19.391 ( -0.179 0.000 16.955) 16.956 19.483 ( -6.302 0.000 13.206) 14.633 20.244 ( 1.749 0.000 -12.021) 12.148 20.613 ( -25.556 0.000 26.445) 36.776 21.290 ( 1.619 0.000 -14.645) 14.734 21.501 ( -5.510 0.000 -10.464) 11.826 21.610 ( 5.199 0.000 0.305) 5.208 21.923 ( -6.113 0.000 8.789) 10.706 22.176 ( 9.489 0.000 11.908) 15.226 22.688 ( -11.610 0.000 12.341) 16.944 23.261 ( 12.538 0.000 7.081) 14.399 23.653 ( -0.145 0.000 3.975) 3.978 23.833 ( -1.618 0.000 10.002) 10.132 24.046 ( -5.727 0.000 8.321) 10.102 26.752 ( 9.747 0.000 -10.651) 14.438 27.060 ( 10.558 0.000 -23.949) 26.173 27.489 ( 3.079 0.000 6.569) 7.255 27.711 ( -0.422 0.000 -5.234) 5.251 28.039 ( 3.987 0.000 1.993) 4.457 28.267 ( -3.842 0.000 4.499) 5.916 28.471 ( 7.790 0.000 -9.722) 12.458 28.593 ( 0.164 0.000 -5.826) 5.828 29.000 ( 10.146 0.000 -1.648) 10.279 29.293 ( -3.038 0.000 -2.251) 3.781 29.330 ( 6.011 0.000 3.192) 6.806 29.737 ( -7.582 0.000 10.173) 12.688 30.796 ( 5.554 0.000 -9.338) 10.865 31.174 ( -12.482 0.000 4.685) 13.332 ======================= Grid point 57 (21/108) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -13.987 0.000 8.731) 16.488 1.656 ( 13.987 0.000 8.731) 16.488 1.751 ( -17.383 0.000 11.468) 20.825 1.751 ( 17.383 0.000 11.468) 20.825 2.435 ( -25.208 0.000 12.192) 28.002 2.435 ( 25.208 0.000 12.192) 28.002 3.069 ( -1.075 0.000 7.669) 7.744 3.069 ( 1.075 0.000 7.669) 7.744 3.503 ( -5.397 0.000 10.948) 12.206 3.503 ( 5.397 0.000 10.948) 12.206 4.208 ( -23.122 0.000 -0.771) 23.135 4.208 ( 23.122 0.000 -0.771) 23.135 5.801 ( -6.452 0.000 -8.587) 10.741 5.801 ( 6.452 0.000 -8.587) 10.741 6.098 ( -0.285 0.000 1.226) 1.259 6.098 ( 0.285 0.000 1.226) 1.259 6.348 ( -2.337 0.000 9.163) 9.457 6.348 ( 2.337 0.000 9.163) 9.457 7.512 ( -12.307 0.000 0.373) 12.313 7.512 ( 12.307 0.000 0.373) 12.313 8.680 ( -1.786 0.000 -4.806) 5.127 8.680 ( 1.786 0.000 -4.806) 5.127 9.568 ( -3.744 0.000 0.370) 3.763 9.568 ( 3.744 0.000 0.370) 3.763 10.599 ( -14.161 0.000 -12.970) 19.203 10.599 ( 14.161 0.000 -12.970) 19.203 11.144 ( -1.084 0.000 -2.658) 2.870 11.144 ( 1.084 0.000 -2.658) 2.870 11.779 ( -2.539 0.000 2.155) 3.331 11.779 ( 2.539 0.000 2.155) 3.331 12.322 ( -17.973 0.000 -1.630) 18.047 12.322 ( 17.973 0.000 -1.630) 18.047 13.246 ( -0.593 0.000 5.593) 5.624 13.246 ( 0.593 0.000 5.593) 5.624 13.557 ( -3.182 0.000 6.106) 6.885 13.557 ( 3.182 0.000 6.106) 6.885 14.771 ( -0.849 0.000 -12.478) 12.507 14.771 ( 0.849 0.000 -12.478) 12.507 15.120 ( -18.667 0.000 -7.430) 20.091 15.120 ( 18.667 0.000 -7.430) 20.091 16.429 ( -0.070 0.000 -13.970) 13.970 16.429 ( 0.070 0.000 -13.970) 13.970 17.905 ( -5.032 0.000 1.432) 5.232 17.905 ( 5.032 0.000 1.432) 5.232 19.401 ( -0.774 0.000 16.435) 16.453 19.401 ( 0.774 0.000 16.435) 16.453 20.322 ( -4.090 0.000 2.230) 4.658 20.322 ( 4.090 0.000 2.230) 4.658 21.377 ( -1.962 0.000 -13.834) 13.973 21.377 ( 1.962 0.000 -13.834) 13.973 21.762 ( -4.515 0.000 4.896) 6.660 21.762 ( 4.515 0.000 4.896) 6.660 22.419 ( -11.520 0.000 12.534) 17.023 22.419 ( 11.520 0.000 12.534) 17.023 23.518 ( -10.437 0.000 7.600) 12.911 23.518 ( 10.437 0.000 7.600) 12.911 23.908 ( -6.571 0.000 7.116) 9.685 23.908 ( 6.571 0.000 7.116) 9.685 26.991 ( -9.502 0.000 -14.220) 17.103 26.991 ( 9.502 0.000 -14.220) 17.103 27.593 ( -6.488 0.000 5.552) 8.540 27.593 ( 6.488 0.000 5.552) 8.540 28.158 ( -4.688 0.000 2.651) 5.385 28.158 ( 4.688 0.000 2.651) 5.385 28.581 ( -0.546 0.000 -8.769) 8.786 28.581 ( 0.546 0.000 -8.769) 8.786 29.192 ( -5.825 0.000 -2.370) 6.289 29.192 ( 5.825 0.000 -2.370) 6.289 29.526 ( -5.396 0.000 5.343) 7.594 29.526 ( 5.396 0.000 5.343) 7.594 30.951 ( -2.159 0.000 -2.260) 3.126 30.951 ( 2.159 0.000 -2.260) 3.126 ======================= Grid point 60 (22/108) ======================= q-point: ( 0.00 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 23.604 24.692) 34.159 1.090 ( 0.000 22.260 26.075) 34.285 1.722 ( 0.000 39.993 36.895) 54.412 2.230 ( 0.000 6.706 0.240) 6.710 2.440 ( 0.000 2.414 4.727) 5.307 2.665 ( 0.000 -6.145 -5.479) 8.233 2.830 ( 0.000 1.736 0.367) 1.774 3.292 ( 0.000 11.167 4.638) 12.092 3.736 ( 0.000 13.536 10.170) 16.930 4.015 ( 0.000 16.377 21.635) 27.135 4.163 ( 0.000 4.975 5.558) 7.459 5.193 ( 0.000 10.002 -1.500) 10.114 5.349 ( 0.000 -9.122 -11.472) 14.656 5.626 ( 0.000 -11.677 -3.794) 12.278 5.910 ( 0.000 -5.628 0.296) 5.636 6.071 ( 0.000 -2.523 2.706) 3.700 6.195 ( 0.000 4.560 -2.628) 5.263 6.599 ( 0.000 10.493 3.203) 10.971 7.317 ( 0.000 16.796 5.172) 17.574 7.952 ( 0.000 4.774 5.706) 7.440 8.571 ( 0.000 -9.602 -6.127) 11.390 8.770 ( 0.000 0.632 -4.268) 4.314 9.486 ( 0.000 -0.756 -1.702) 1.862 9.818 ( 0.000 -1.457 -8.062) 8.193 10.125 ( 0.000 1.155 -1.718) 2.070 10.605 ( 0.000 -5.823 -8.102) 9.977 10.924 ( 0.000 -12.730 -1.766) 12.851 11.195 ( 0.000 1.399 3.125) 3.424 11.199 ( 0.000 -3.686 0.259) 3.695 12.219 ( 0.000 -9.334 0.229) 9.337 12.424 ( 0.000 -10.718 3.012) 11.133 12.636 ( 0.000 5.463 -9.121) 10.632 12.919 ( 0.000 3.095 5.510) 6.320 13.283 ( 0.000 -5.614 -0.582) 5.644 13.304 ( 0.000 6.742 -2.493) 7.188 14.018 ( 0.000 13.305 6.929) 15.001 14.190 ( 0.000 0.686 -10.137) 10.160 14.816 ( 0.000 -4.948 1.409) 5.145 14.895 ( 0.000 11.013 -8.678) 14.022 15.787 ( 0.000 6.723 -11.922) 13.687 16.261 ( 0.000 -12.690 -12.919) 18.109 16.485 ( 0.000 -0.892 -8.678) 8.723 17.645 ( 0.000 -11.071 0.815) 11.101 18.005 ( 0.000 -7.876 -3.725) 8.712 19.391 ( 0.000 -0.308 15.770) 15.773 19.480 ( 0.000 -6.293 8.337) 10.446 20.159 ( 0.000 -8.717 -10.438) 13.600 20.612 ( 0.000 -30.573 20.218) 36.654 21.142 ( 0.000 0.360 -11.229) 11.235 21.463 ( 0.000 1.609 1.438) 2.158 21.857 ( 0.000 -0.925 -2.569) 2.730 22.010 ( 0.000 1.173 9.839) 9.909 22.519 ( 0.000 9.235 -8.209) 12.356 22.871 ( 0.000 8.179 11.861) 14.407 23.335 ( 0.000 18.855 -12.409) 22.572 23.690 ( 0.000 5.906 2.980) 6.616 23.971 ( 0.000 7.794 10.189) 12.828 24.179 ( 0.000 5.212 8.305) 9.805 26.350 ( 0.000 -7.636 -2.781) 8.126 26.574 ( 0.000 -5.891 -6.741) 8.952 27.499 ( 0.000 4.099 5.799) 7.102 27.536 ( 0.000 -6.453 0.020) 6.453 28.026 ( 0.000 1.770 2.921) 3.415 28.142 ( 0.000 -3.204 11.217) 11.666 28.505 ( 0.000 2.239 1.532) 2.713 28.557 ( 0.000 -2.663 -5.004) 5.668 28.875 ( 0.000 0.024 2.130) 2.130 29.064 ( 0.000 -11.436 18.922) 22.109 29.144 ( 0.000 -6.390 5.680) 8.550 30.127 ( 0.000 23.302 7.124) 24.367 30.472 ( 0.000 -16.312 -17.570) 23.975 31.804 ( 0.000 15.260 -16.530) 22.496 ======================= Grid point 61 (23/108) ======================= q-point: ( 0.25 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 19.115 17.754 19.465) 32.550 1.357 ( 21.166 17.179 13.885) 30.592 1.992 ( 14.560 20.398 22.405) 33.616 2.152 ( -1.298 12.671 5.467) 13.861 2.268 ( -13.251 4.199 3.454) 14.323 2.723 ( -0.615 -3.063 -1.075) 3.304 3.016 ( 14.368 2.735 0.508) 14.635 3.283 ( -0.867 12.129 6.242) 13.669 3.615 ( -8.308 12.840 8.789) 17.639 3.768 ( -15.810 9.578 17.354) 25.355 4.070 ( -3.072 10.965 9.502) 14.831 4.863 ( -24.421 5.894 -2.788) 25.276 5.569 ( 11.075 -2.945 -5.231) 12.597 5.717 ( 6.072 -10.684 -5.149) 13.324 5.967 ( 2.290 -7.584 2.994) 8.470 6.124 ( 2.042 2.078 -1.825) 3.438 6.226 ( 6.666 2.743 2.871) 7.759 6.546 ( -4.585 11.238 6.009) 13.543 7.405 ( 7.799 13.324 0.093) 15.439 7.834 ( -9.287 5.840 4.070) 11.701 8.577 ( -0.061 -8.163 -4.603) 9.372 8.791 ( -0.103 3.234 -5.689) 6.545 9.471 ( -0.505 -5.658 0.437) 5.697 9.726 ( -9.993 0.120 -3.886) 10.722 10.156 ( 10.630 -3.713 -3.873) 11.907 10.611 ( -0.311 -9.383 -11.775) 15.060 11.061 ( 5.678 -5.012 -4.139) 8.631 11.156 ( -3.183 -4.516 0.378) 5.537 11.438 ( 19.675 -3.180 3.000) 20.155 11.942 ( -10.571 -1.967 3.695) 11.369 12.334 ( -14.723 3.059 -4.475) 15.689 12.775 ( -6.508 -6.419 -2.682) 9.527 12.838 ( 5.974 -5.656 -1.326) 8.332 13.259 ( 11.260 5.098 3.078) 12.738 13.467 ( -0.465 -0.002 1.201) 1.288 13.900 ( -10.020 9.267 7.405) 15.528 14.446 ( 18.398 -2.893 -13.544) 23.028 14.798 ( 0.061 -0.436 -6.158) 6.174 14.967 ( 6.321 10.438 -4.138) 12.885 15.618 ( -14.327 8.369 -8.765) 18.765 16.282 ( 1.184 -11.369 -13.089) 17.377 16.399 ( -4.693 -3.929 -8.992) 10.877 17.692 ( 4.029 -11.084 1.496) 11.888 17.931 ( -5.650 -9.093 0.546) 10.719 19.381 ( -0.834 -0.830 13.867) 13.917 19.436 ( -2.550 -2.894 14.030) 14.551 20.153 ( 0.072 -9.164 -8.525) 12.516 20.397 ( -11.734 -14.650 13.005) 22.835 21.249 ( 6.560 -1.015 -13.251) 14.821 21.505 ( 2.622 0.883 -1.462) 3.129 21.784 ( -2.643 6.731 -4.986) 8.784 22.107 ( 2.386 2.635 8.481) 9.196 22.262 ( -10.309 17.082 2.461) 20.103 22.675 ( -13.190 1.775 12.394) 18.186 23.398 ( 8.385 11.241 4.471) 14.719 23.731 ( 1.054 6.924 3.793) 7.964 23.900 ( -2.688 5.958 10.419) 12.299 24.113 ( -5.350 6.599 6.621) 10.771 26.605 ( 10.033 -13.138 -9.727) 19.181 26.888 ( 11.185 -15.405 -17.207) 25.661 27.524 ( 2.646 3.289 5.547) 6.971 27.637 ( 4.974 -4.380 -2.475) 7.074 28.043 ( 3.470 0.747 2.836) 4.543 28.178 ( 3.217 -2.789 6.643) 7.890 28.459 ( -1.641 -1.600 -4.153) 4.744 28.583 ( 1.241 -1.356 -4.418) 4.785 28.973 ( 5.412 -3.289 5.044) 8.096 29.077 ( 1.907 -8.976 13.221) 16.094 29.226 ( 9.094 -7.747 4.821) 12.883 29.926 ( -14.371 7.205 -0.438) 16.082 30.655 ( 12.305 0.287 -10.545) 16.208 31.547 ( -17.868 18.023 -5.380) 25.943 ======================= Grid point 62 (24/108) ======================= q-point: (-0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 8.501 7.440) 11.297 1.757 ( -0.000 6.749 9.992) 12.058 1.862 ( 0.000 8.828 6.183) 10.778 1.864 ( -0.000 11.129 5.770) 12.536 2.514 ( 0.000 9.359 8.549) 12.676 2.586 ( -0.000 9.516 8.746) 12.924 3.236 ( -0.000 14.307 5.689) 15.397 3.247 ( 0.000 14.182 11.637) 18.345 3.519 ( -0.000 3.135 6.106) 6.864 3.540 ( 0.000 3.558 12.162) 12.672 4.250 ( -0.000 9.998 2.890) 10.408 4.320 ( 0.000 10.574 4.107) 11.344 5.704 ( 0.000 -7.045 -5.244) 8.783 5.793 ( 0.000 -10.106 -3.365) 10.652 5.993 ( 0.000 4.182 -2.008) 4.639 6.136 ( 0.000 -6.866 6.930) 9.755 6.385 ( 0.000 12.612 0.673) 12.630 6.439 ( 0.000 4.201 6.960) 8.130 7.601 ( -0.000 9.090 0.009) 9.090 7.622 ( 0.000 9.113 0.076) 9.113 8.618 ( 0.000 -3.386 -6.844) 7.636 8.711 ( -0.000 -0.769 -2.184) 2.316 9.519 ( -0.000 -4.601 0.211) 4.606 9.557 ( 0.000 -0.912 1.613) 1.853 10.414 ( -0.000 -12.853 -15.680) 20.275 10.527 ( 0.000 -9.003 -9.263) 12.917 11.096 ( 0.000 -5.888 0.968) 5.967 11.135 ( 0.000 -2.086 0.796) 2.233 11.749 ( 0.000 0.306 -0.286) 0.418 11.785 ( 0.000 0.898 0.055) 0.900 12.305 ( 0.000 1.259 -3.564) 3.779 12.378 ( -0.000 0.469 1.487) 1.559 13.107 ( 0.000 -3.149 -3.957) 5.057 13.289 ( 0.000 -14.823 -2.506) 15.033 13.561 ( 0.000 17.662 12.655) 21.728 13.680 ( -0.000 3.134 9.235) 9.752 14.676 ( 0.000 -4.348 -17.198) 17.739 14.806 ( 0.000 1.664 -10.545) 10.675 15.191 ( 0.000 4.984 -8.589) 9.931 15.294 ( 0.000 13.724 -0.579) 13.736 16.293 ( 0.000 -10.162 -13.154) 16.622 16.352 ( 0.000 -7.500 -10.721) 13.084 17.800 ( -0.000 -10.918 2.197) 11.137 17.804 ( 0.000 -10.432 2.797) 10.801 19.368 ( 0.000 -1.431 11.782) 11.868 19.409 ( 0.000 -0.479 17.414) 17.420 20.170 ( 0.000 -9.299 -4.707) 10.422 20.254 ( 0.000 -9.936 2.761) 10.312 21.339 ( 0.000 1.749 -12.515) 12.637 21.518 ( 0.000 -0.835 -9.954) 9.989 21.818 ( 0.000 14.799 -1.689) 14.895 21.960 ( 0.000 11.686 5.170) 12.778 22.377 ( 0.000 1.181 13.251) 13.304 22.419 ( -0.000 -1.608 10.986) 11.103 23.586 ( 0.000 6.401 6.753) 9.305 23.637 ( -0.000 9.146 8.290) 12.344 23.971 ( -0.000 6.338 6.142) 8.825 23.974 ( 0.000 6.075 6.453) 8.863 26.798 ( 0.000 -15.186 -12.615) 19.742 26.877 ( -0.000 -12.764 -10.942) 16.812 27.598 ( 0.000 1.723 5.263) 5.538 27.615 ( -0.000 1.765 3.418) 3.847 28.131 ( 0.000 0.289 1.729) 1.753 28.190 ( 0.000 0.853 4.829) 4.904 28.460 ( 0.000 -6.918 -10.938) 12.942 28.598 ( 0.000 -1.242 -5.091) 5.240 29.021 ( 0.000 -8.305 10.071) 13.054 29.106 ( 0.000 -6.863 9.783) 11.951 29.492 ( 0.000 1.221 -5.148) 5.291 29.630 ( 0.000 -7.191 -0.308) 7.198 30.848 ( 0.000 10.687 -10.593) 15.047 31.285 ( 0.000 13.598 2.545) 13.834 ======================= Grid point 65 (25/108) ======================= q-point: ( 0.00 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 19.852 10.298) 22.364 1.623 ( 0.000 27.213 9.477) 28.817 2.328 ( 0.000 11.112 0.755) 11.138 2.509 ( 0.000 6.039 5.114) 7.914 2.513 ( 0.000 -8.221 -5.263) 9.762 2.555 ( 0.000 25.694 9.958) 27.556 2.931 ( 0.000 10.230 6.161) 11.943 3.424 ( 0.000 3.460 14.543) 14.949 4.042 ( 0.000 16.606 14.293) 21.910 4.438 ( 0.000 20.606 8.006) 22.107 4.488 ( 0.000 23.515 -0.455) 23.519 5.095 ( 0.000 -13.145 -8.331) 15.563 5.415 ( 0.000 8.504 2.243) 8.794 5.457 ( 0.000 -5.026 1.886) 5.369 5.846 ( 0.000 2.895 3.573) 4.599 5.885 ( 0.000 -12.082 10.577) 16.058 6.330 ( 0.000 9.154 -4.382) 10.149 6.918 ( 0.000 21.149 3.151) 21.382 7.770 ( 0.000 23.948 -2.959) 24.130 8.105 ( 0.000 10.111 2.060) 10.319 8.306 ( 0.000 -16.135 -4.842) 16.846 8.689 ( 0.000 -9.416 -2.318) 9.697 9.444 ( 0.000 -2.886 -1.286) 3.159 9.870 ( 0.000 7.994 -8.960) 12.008 10.151 ( 0.000 0.809 -3.782) 3.868 10.456 ( 0.000 -8.561 -5.274) 10.055 10.613 ( 0.000 -17.039 0.331) 17.043 11.044 ( 0.000 -11.911 4.366) 12.686 11.207 ( 0.000 -0.378 2.357) 2.387 12.028 ( 0.000 -7.908 2.493) 8.292 12.185 ( 0.000 -11.920 -5.051) 12.946 12.676 ( 0.000 0.350 -4.165) 4.180 12.955 ( 0.000 -0.338 3.369) 3.386 13.343 ( 0.000 8.288 -10.903) 13.696 13.442 ( 0.000 6.340 3.284) 7.140 14.234 ( 0.000 7.646 6.991) 10.361 14.239 ( 0.000 3.705 -14.242) 14.716 14.769 ( 0.000 0.416 -2.347) 2.383 15.155 ( 0.000 13.299 -6.427) 14.770 15.779 ( 0.000 -6.879 -10.105) 12.224 15.953 ( 0.000 -15.787 -10.606) 19.019 16.506 ( 0.000 2.655 -8.038) 8.465 17.326 ( 0.000 -19.332 5.887) 20.208 17.687 ( 0.000 -21.381 5.695) 22.127 19.384 ( 0.000 -0.357 12.617) 12.622 19.404 ( 0.000 -1.594 9.907) 10.035 19.914 ( 0.000 -12.245 -8.322) 14.805 20.208 ( 0.000 -14.175 2.918) 14.472 21.115 ( 0.000 -1.737 -9.887) 10.039 21.532 ( 0.000 2.857 1.404) 3.183 21.829 ( 0.000 -1.346 -0.240) 1.367 22.059 ( 0.000 4.116 4.161) 5.853 22.567 ( 0.000 -0.430 1.620) 1.676 23.043 ( 0.000 7.644 11.668) 13.949 23.640 ( 0.000 10.660 -7.655) 13.123 23.850 ( 0.000 9.203 2.972) 9.671 24.124 ( 0.000 6.091 8.466) 10.430 24.394 ( 0.000 15.072 0.486) 15.080 26.165 ( 0.000 -9.380 -3.554) 10.031 26.426 ( 0.000 -8.056 -3.223) 8.677 27.461 ( 0.000 -1.533 -2.072) 2.578 27.606 ( 0.000 5.809 4.621) 7.423 28.072 ( 0.000 2.612 3.411) 4.296 28.143 ( 0.000 1.035 9.633) 9.689 28.503 ( 0.000 -1.481 2.911) 3.266 28.504 ( 0.000 -2.229 -3.740) 4.353 28.841 ( 0.000 -2.732 4.620) 5.367 28.903 ( 0.000 -6.051 15.651) 16.780 29.104 ( 0.000 1.682 5.190) 5.456 30.104 ( 0.000 -18.479 -13.883) 23.113 30.616 ( 0.000 22.967 1.871) 23.043 31.975 ( 0.000 4.438 -10.733) 11.614 ======================= Grid point 66 (26/108) ======================= q-point: ( 0.25 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 9.817 14.102 8.218) 19.047 1.767 ( 12.215 22.021 6.393) 25.981 2.188 ( -10.851 5.388 1.726) 12.237 2.344 ( -8.700 3.800 -0.515) 9.508 2.615 ( 6.323 15.870 5.698) 18.009 2.694 ( 6.028 5.185 3.017) 8.505 3.136 ( 16.284 10.265 5.144) 19.925 3.459 ( 4.155 5.928 14.392) 16.110 3.873 ( -14.233 13.831 18.167) 26.906 4.095 ( -21.376 16.004 0.500) 26.708 4.481 ( -0.699 26.586 3.548) 26.831 5.010 ( -9.578 6.359 -0.733) 11.520 5.466 ( 3.162 -4.919 4.911) 7.636 5.543 ( 1.943 -6.242 0.288) 6.544 5.819 ( 10.192 -2.865 5.064) 11.735 6.165 ( 3.877 -0.905 1.505) 4.256 6.326 ( 9.478 12.011 -0.404) 15.306 6.887 ( -5.142 21.611 0.330) 22.216 7.767 ( 1.528 19.567 -2.911) 19.841 7.957 ( -8.111 4.316 3.423) 9.804 8.359 ( 2.505 -11.899 -2.491) 12.412 8.821 ( 5.827 -1.452 -7.437) 9.559 9.285 ( -8.991 -10.306 1.205) 13.730 9.764 ( -10.745 2.511 -0.679) 11.055 10.108 ( 3.703 0.221 -6.892) 7.827 10.383 ( -3.235 -11.754 -9.789) 15.635 10.893 ( 11.721 -11.339 1.609) 16.387 10.965 ( -4.566 -12.366 3.851) 13.733 11.431 ( 18.778 0.968 -0.223) 18.805 11.913 ( -1.156 -1.273 2.927) 3.395 12.339 ( -10.125 -4.457 1.032) 11.110 12.571 ( 9.800 -7.820 -8.795) 15.315 12.816 ( -13.389 -0.459 -2.464) 13.622 13.312 ( -3.453 2.398 -10.365) 11.185 13.551 ( 7.334 6.235 7.291) 12.076 14.099 ( -7.928 9.697 3.826) 13.096 14.442 ( 12.520 1.676 -8.188) 15.053 14.800 ( 2.811 0.662 -7.844) 8.359 15.197 ( 2.902 9.831 -6.627) 12.206 15.670 ( -7.183 -3.330 -5.545) 9.666 16.029 ( 4.464 -12.032 -12.137) 17.663 16.365 ( -10.536 1.308 -8.153) 13.386 17.369 ( 3.686 -19.720 6.904) 21.217 17.611 ( -5.931 -20.769 7.872) 22.989 19.366 ( -1.260 -0.479 9.235) 9.333 19.400 ( -0.269 -0.874 13.366) 13.397 19.925 ( 1.354 -11.312 -8.651) 14.305 20.119 ( -6.552 -12.507 -0.413) 14.125 21.224 ( 8.702 -1.203 -8.764) 12.409 21.547 ( -1.535 2.378 -2.471) 3.757 21.849 ( 4.926 -1.062 2.004) 5.423 22.144 ( 5.370 3.765 2.172) 6.909 22.457 ( -7.324 3.131 4.118) 8.967 22.871 ( -15.515 13.251 6.941) 21.552 23.629 ( 3.107 10.336 1.777) 10.938 23.905 ( 1.902 9.687 3.916) 10.620 24.041 ( -3.175 6.826 8.780) 11.566 24.311 ( -6.554 12.494 3.026) 14.430 26.311 ( 9.276 -13.598 -6.079) 17.547 26.561 ( 5.723 -14.813 -6.638) 17.212 27.559 ( 6.750 -0.999 -1.854) 7.070 27.640 ( 2.840 4.279 2.752) 5.827 28.071 ( 2.141 1.507 4.850) 5.511 28.189 ( 3.194 2.357 5.992) 7.188 28.413 ( -5.036 -2.655 -0.956) 5.772 28.547 ( 1.342 -1.516 -3.387) 3.946 28.897 ( 2.924 -8.002 11.524) 14.331 28.902 ( 0.617 -3.982 13.398) 13.991 29.163 ( 6.845 0.432 2.063) 7.162 29.847 ( -18.042 -10.971 -9.188) 23.029 30.879 ( 18.265 17.030 -3.269) 25.186 31.794 ( -15.029 7.918 -7.061) 18.396 ======================= Grid point 67 (27/108) ======================= q-point: (-0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 6.641 6.339) 9.181 1.910 ( -0.000 6.410 3.863) 7.484 2.086 ( 0.000 12.360 0.179) 12.361 2.112 ( -0.000 12.073 1.779) 12.204 2.725 ( 0.000 9.524 3.343) 10.093 2.740 ( 0.000 5.411 2.010) 5.772 3.506 ( -0.000 11.153 15.728) 19.281 3.513 ( 0.000 11.350 11.735) 16.325 3.668 ( 0.000 8.816 7.716) 11.716 3.680 ( -0.000 12.040 5.047) 13.055 4.620 ( -0.000 20.952 2.392) 21.088 4.717 ( 0.000 26.780 5.145) 27.270 5.532 ( -0.000 -8.056 0.624) 8.080 5.553 ( 0.000 -10.483 2.200) 10.711 6.054 ( 0.000 1.993 6.400) 6.703 6.057 ( -0.000 -0.059 4.091) 4.092 6.619 ( 0.000 14.911 -4.057) 15.453 6.706 ( 0.000 17.993 -1.295) 18.040 7.822 ( -0.000 10.332 0.506) 10.344 7.829 ( 0.000 9.387 0.494) 9.400 8.537 ( 0.000 -4.123 -5.430) 6.818 8.624 ( -0.000 -6.914 -0.612) 6.941 9.386 ( -0.000 -7.981 -2.375) 8.327 9.524 ( 0.000 -3.841 2.819) 4.764 10.189 ( 0.000 -6.069 -13.693) 14.978 10.326 ( 0.000 -8.905 -5.540) 10.487 10.910 ( 0.000 -11.425 2.934) 11.796 11.016 ( 0.000 -9.266 5.280) 10.664 11.814 ( 0.000 5.127 -3.238) 6.063 11.829 ( -0.000 2.274 -3.005) 3.769 12.301 ( 0.000 -3.658 1.384) 3.911 12.343 ( -0.000 -3.363 3.682) 4.987 13.014 ( 0.000 -10.179 -11.697) 15.506 13.056 ( -0.000 -2.257 -10.947) 11.177 13.745 ( 0.000 4.346 4.949) 6.586 13.924 ( 0.000 17.086 14.588) 22.466 14.625 ( 0.000 -1.560 -14.935) 15.016 14.841 ( 0.000 0.945 -10.411) 10.454 15.241 ( 0.000 -0.886 -9.497) 9.539 15.564 ( 0.000 10.334 2.598) 10.655 16.100 ( 0.000 -7.359 -13.684) 15.537 16.204 ( 0.000 -4.840 -8.695) 9.951 17.460 ( -0.000 -21.680 7.912) 23.078 17.492 ( 0.000 -18.896 9.431) 21.119 19.350 ( 0.000 -0.368 7.980) 7.988 19.396 ( 0.000 -0.554 14.438) 14.449 19.975 ( 0.000 -9.462 -9.117) 13.139 20.004 ( 0.000 -12.616 -2.994) 12.966 21.405 ( 0.000 4.132 -7.555) 8.611 21.441 ( -0.000 -4.068 -4.854) 6.333 22.059 ( 0.000 -4.078 3.539) 5.399 22.060 ( -0.000 4.974 -1.568) 5.216 22.508 ( 0.000 11.698 5.328) 12.854 22.543 ( 0.000 13.824 8.074) 16.009 23.741 ( 0.000 8.314 5.814) 10.145 23.822 ( -0.000 8.147 8.646) 11.880 24.135 ( -0.000 9.212 4.540) 10.270 24.150 ( 0.000 10.575 4.137) 11.355 26.468 ( 0.000 -15.169 -8.061) 17.178 26.560 ( -0.000 -16.024 -5.473) 16.933 27.651 ( 0.000 0.839 0.184) 0.859 27.656 ( -0.000 3.150 3.089) 4.412 28.158 ( 0.000 1.219 3.051) 3.286 28.217 ( -0.000 2.178 5.662) 6.067 28.338 ( 0.000 -4.879 -6.944) 8.487 28.563 ( 0.000 -1.383 -5.021) 5.208 28.916 ( 0.000 -2.834 12.099) 12.427 28.921 ( -0.000 -11.440 18.167) 21.469 29.414 ( 0.000 -8.302 -6.362) 10.459 29.471 ( -0.000 -3.215 -3.058) 4.437 31.197 ( 0.000 18.381 -10.299) 21.069 31.505 ( 0.000 8.785 0.907) 8.831 ======================= Grid point 70 (28/108) ======================= q-point: ( 0.00 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 6.085 2.399) 6.541 2.111 ( 0.000 19.688 2.178) 19.808 2.358 ( 0.000 -6.584 -3.048) 7.255 2.464 ( 0.000 4.169 -1.705) 4.504 2.651 ( 0.000 7.812 1.291) 7.918 2.937 ( 0.000 10.263 1.917) 10.441 3.282 ( 0.000 23.014 9.043) 24.727 3.509 ( 0.000 6.372 19.324) 20.347 4.395 ( 0.000 16.955 14.646) 22.405 4.638 ( 0.000 -12.828 -4.389) 13.558 4.707 ( 0.000 5.296 2.557) 5.881 5.060 ( 0.000 7.641 -1.608) 7.809 5.369 ( 0.000 -7.241 9.441) 11.899 5.517 ( 0.000 4.583 -1.530) 4.831 5.844 ( 0.000 14.246 4.012) 14.800 6.040 ( 0.000 11.779 10.609) 15.852 6.575 ( 0.000 15.518 -2.738) 15.757 7.425 ( 0.000 23.777 3.833) 24.084 7.961 ( 0.000 -13.276 -4.323) 13.962 8.126 ( 0.000 10.704 -2.811) 11.067 8.406 ( 0.000 18.197 -2.743) 18.402 8.443 ( 0.000 -11.970 0.632) 11.987 9.401 ( 0.000 -0.965 -2.247) 2.446 10.050 ( 0.000 -2.107 -10.662) 10.868 10.110 ( 0.000 -5.387 -4.555) 7.055 10.308 ( 0.000 -4.731 -1.151) 4.869 10.335 ( 0.000 0.261 3.915) 3.924 10.712 ( 0.000 -20.016 7.292) 21.303 11.166 ( 0.000 -4.050 -1.007) 4.174 11.935 ( 0.000 -1.185 4.729) 4.875 11.968 ( 0.000 -8.844 -8.658) 12.376 12.691 ( 0.000 1.324 -1.743) 2.189 12.880 ( 0.000 -7.210 2.224) 7.545 13.546 ( 0.000 10.926 -13.154) 17.100 13.573 ( 0.000 7.114 2.315) 7.482 14.291 ( 0.000 -0.037 -14.419) 14.419 14.303 ( 0.000 -1.027 0.300) 1.070 14.833 ( 0.000 5.288 -3.044) 6.102 15.387 ( 0.000 7.653 -7.689) 10.849 15.566 ( 0.000 -12.312 -10.839) 16.404 15.702 ( 0.000 -6.254 -8.737) 10.745 16.535 ( 0.000 -1.804 -9.217) 9.392 16.911 ( 0.000 -20.189 12.624) 23.811 17.250 ( 0.000 -18.399 18.636) 26.188 19.376 ( 0.000 -0.422 9.990) 9.999 19.391 ( 0.000 -0.217 9.502) 9.504 19.724 ( 0.000 -6.245 -13.156) 14.563 19.964 ( 0.000 -10.012 -0.959) 10.057 21.107 ( 0.000 1.109 -8.725) 8.795 21.535 ( 0.000 -2.161 4.427) 4.926 21.808 ( 0.000 -0.738 -0.488) 0.885 22.160 ( 0.000 4.739 -3.882) 6.126 22.547 ( 0.000 -1.373 5.048) 5.231 23.162 ( 0.000 3.980 11.892) 12.540 23.813 ( 0.000 7.315 -0.986) 7.381 24.039 ( 0.000 8.794 2.995) 9.289 24.207 ( 0.000 1.974 6.364) 6.663 24.714 ( 0.000 14.975 -3.651) 15.414 26.009 ( 0.000 -5.454 -2.583) 6.034 26.262 ( 0.000 -7.815 -1.894) 8.042 27.454 ( 0.000 0.676 -2.762) 2.844 27.711 ( 0.000 4.156 3.346) 5.336 28.100 ( 0.000 -6.487 3.926) 7.583 28.124 ( 0.000 2.264 3.686) 4.326 28.472 ( 0.000 -0.885 -1.024) 1.353 28.490 ( 0.000 1.067 6.921) 7.003 28.791 ( 0.000 -4.922 10.976) 12.029 28.798 ( 0.000 -1.231 3.173) 3.404 29.164 ( 0.000 3.534 5.930) 6.903 29.787 ( 0.000 -11.651 -6.050) 13.128 31.019 ( 0.000 16.170 -1.132) 16.210 32.038 ( 0.000 2.188 -8.380) 8.661 ======================= Grid point 71 (29/108) ======================= q-point: ( 0.25 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 4.575 4.711 2.239) 6.938 2.147 ( -0.089 11.566 1.003) 11.610 2.252 ( -4.265 3.814 -0.642) 5.757 2.429 ( -3.398 4.729 -1.574) 6.032 2.723 ( 5.492 4.821 0.596) 7.332 2.923 ( -1.596 7.240 0.677) 7.445 3.435 ( 11.456 17.226 9.367) 22.710 3.596 ( 8.924 8.952 17.440) 21.539 4.141 ( -19.605 8.771 15.306) 26.374 4.297 ( -17.727 6.747 1.685) 19.042 4.864 ( -1.982 4.492 -1.868) 5.254 5.068 ( 7.464 2.116 0.176) 7.760 5.388 ( 5.536 -1.825 4.608) 7.431 5.582 ( -5.428 8.773 9.791) 14.223 5.882 ( 10.293 7.944 -2.204) 13.188 6.215 ( 5.271 6.015 6.160) 10.095 6.671 ( 12.723 21.290 -0.947) 24.820 7.418 ( -7.046 28.032 -2.906) 29.050 7.837 ( -1.221 -11.171 2.824) 11.587 8.104 ( -6.960 6.487 -2.684) 9.886 8.267 ( 0.033 5.959 4.196) 7.288 8.727 ( 14.480 -4.916 -9.423) 17.961 9.153 ( -18.527 -2.411 0.602) 18.692 9.757 ( -17.484 -3.705 0.742) 17.888 10.147 ( -0.157 -5.988 -7.255) 9.408 10.191 ( -0.308 -0.811 -4.233) 4.321 10.645 ( 5.862 -13.225 2.339) 14.654 10.718 ( 6.405 -7.681 3.409) 10.566 11.417 ( 20.779 -3.045 -0.610) 21.010 11.893 ( 1.851 -0.278 3.738) 4.180 12.158 ( 5.056 -9.481 -3.182) 11.206 12.527 ( -9.267 0.050 -4.787) 10.431 12.754 ( -8.056 -5.023 -1.985) 9.699 13.399 ( -13.716 6.077 -14.156) 20.626 13.706 ( 9.717 9.127 1.830) 13.456 14.223 ( 1.689 0.382 -3.857) 4.228 14.488 ( 5.943 2.638 -1.612) 6.699 14.804 ( -0.895 -0.956 -7.125) 7.245 15.278 ( -6.766 -1.943 -12.638) 14.466 15.609 ( 3.475 -0.541 -2.767) 4.475 15.836 ( 9.075 -5.725 -13.750) 17.441 16.401 ( -10.960 -0.169 -8.397) 13.808 16.941 ( 2.433 -20.902 14.106) 25.334 17.191 ( -4.619 -17.596 19.003) 26.307 19.362 ( -0.993 -0.042 7.413) 7.480 19.390 ( -0.074 -0.302 10.999) 11.004 19.739 ( 1.579 -6.536 -11.856) 13.630 19.899 ( -4.928 -8.937 -3.806) 10.892 21.216 ( 8.739 0.532 -6.436) 10.866 21.583 ( 0.074 0.815 1.656) 1.847 21.779 ( 2.151 -4.048 0.117) 4.585 22.198 ( -1.329 0.247 -3.445) 3.700 22.535 ( 3.540 4.827 5.855) 8.373 23.077 ( -9.396 6.837 7.815) 14.004 23.805 ( 1.507 7.070 2.403) 7.618 24.093 ( -3.293 6.849 4.789) 8.982 24.155 ( 3.669 5.420 4.967) 8.217 24.587 ( -9.839 13.561 -0.546) 16.763 26.097 ( 6.933 -7.190 -3.122) 10.464 26.309 ( 1.685 -10.027 -3.125) 10.637 27.525 ( 5.744 -1.959 -2.768) 6.670 27.714 ( -0.387 1.932 2.593) 3.257 28.076 ( 1.217 -1.830 3.909) 4.485 28.203 ( 3.949 -1.824 0.546) 4.384 28.382 ( -5.265 0.765 4.377) 6.890 28.544 ( 2.091 1.257 -1.435) 2.830 28.736 ( -1.860 -5.963 12.125) 13.639 28.865 ( 2.392 -0.956 7.289) 7.731 29.193 ( 3.611 1.980 4.564) 6.147 29.634 ( -12.037 -8.243 -3.840) 15.086 31.206 ( 15.077 13.727 -3.112) 20.626 31.913 ( -11.068 4.259 -7.091) 13.818 ======================= Grid point 72 (30/108) ======================= q-point: (-0.50 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 1.896 0.428) 1.944 2.003 ( -0.000 3.151 2.492) 4.017 2.321 ( 0.000 10.044 -1.804) 10.205 2.330 ( -0.000 9.033 0.284) 9.038 2.828 ( 0.000 3.482 -0.860) 3.587 2.868 ( -0.000 4.442 0.603) 4.483 3.712 ( -0.000 8.365 13.751) 16.095 3.728 ( 0.000 10.312 10.742) 14.890 3.870 ( -0.000 10.471 7.953) 13.149 3.947 ( 0.000 12.598 15.402) 19.898 4.861 ( 0.000 3.199 -5.488) 6.352 5.147 ( 0.000 7.723 3.828) 8.619 5.463 ( 0.000 1.624 1.214) 2.028 5.506 ( 0.000 9.898 5.900) 11.523 6.036 ( 0.000 -0.610 1.456) 1.578 6.224 ( 0.000 10.417 9.064) 13.808 7.015 ( -0.000 21.754 -8.799) 23.466 7.138 ( 0.000 24.512 -1.370) 24.550 7.918 ( 0.000 -0.932 2.374) 2.551 7.930 ( -0.000 1.175 4.603) 4.751 8.522 ( 0.000 4.002 -2.011) 4.479 8.526 ( -0.000 -0.963 -1.680) 1.937 9.215 ( -0.000 -8.139 -4.776) 9.436 9.383 ( 0.000 -8.260 1.439) 8.384 10.178 ( 0.000 -7.349 -2.893) 7.898 10.179 ( -0.000 0.931 -5.624) 5.700 10.682 ( 0.000 -8.930 1.326) 9.028 10.812 ( 0.000 -8.849 4.211) 9.800 11.845 ( 0.000 -0.483 -3.885) 3.914 11.909 ( -0.000 2.255 -4.065) 4.648 12.136 ( 0.000 -9.566 5.773) 11.173 12.242 ( -0.000 -6.586 6.733) 9.419 12.920 ( 0.000 0.056 -16.715) 16.715 13.043 ( -0.000 1.258 -14.027) 14.083 13.872 ( 0.000 8.170 -2.467) 8.535 14.221 ( 0.000 11.037 12.017) 16.317 14.560 ( -0.000 -5.608 -11.086) 12.424 14.800 ( 0.000 -5.550 -4.636) 7.232 15.197 ( 0.000 -1.047 -16.010) 16.044 15.657 ( 0.000 -0.064 -0.785) 0.788 15.992 ( 0.000 -4.350 -16.121) 16.697 16.205 ( -0.000 2.978 -7.269) 7.856 16.985 ( 0.000 -22.580 16.752) 28.116 17.117 ( 0.000 -16.045 18.496) 24.485 19.349 ( 0.000 0.169 5.953) 5.955 19.389 ( 0.000 -0.273 11.415) 11.418 19.791 ( 0.000 -7.845 -6.814) 10.392 19.804 ( -0.000 -6.984 -10.093) 12.274 21.383 ( 0.000 -1.468 -3.622) 3.909 21.490 ( -0.000 3.717 -1.863) 4.157 21.918 ( 0.000 -7.278 -1.223) 7.380 22.077 ( -0.000 -1.921 1.575) 2.485 22.757 ( -0.000 10.702 3.533) 11.270 22.800 ( 0.000 9.819 4.650) 10.864 23.895 ( 0.000 6.027 5.253) 7.995 23.949 ( -0.000 4.147 7.453) 8.529 24.336 ( -0.000 10.232 2.102) 10.446 24.372 ( 0.000 10.596 2.371) 10.858 26.225 ( 0.000 -8.563 -4.386) 9.620 26.285 ( 0.000 -10.484 -2.605) 10.803 27.624 ( 0.000 -3.486 -2.053) 4.045 27.685 ( -0.000 -1.278 2.268) 2.603 28.138 ( 0.000 -2.855 1.177) 3.088 28.222 ( 0.000 -2.796 -0.615) 2.862 28.316 ( -0.000 3.503 3.349) 4.846 28.565 ( 0.000 0.719 -3.907) 3.973 28.721 ( 0.000 -5.486 14.682) 15.673 28.883 ( 0.000 -0.895 10.842) 10.879 29.328 ( 0.000 -1.431 -0.882) 1.681 29.393 ( -0.000 -3.626 1.292) 3.849 31.512 ( 0.000 12.233 -8.195) 14.724 31.656 ( -0.000 6.057 -2.363) 6.501 ======================= Grid point 75 (31/108) ======================= q-point: ( 0.00 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 0.564 0.863) 1.031 2.256 ( 0.000 -3.353 -1.461) 3.657 2.406 ( 0.000 9.419 0.483) 9.431 2.524 ( 0.000 1.923 0.202) 1.933 2.791 ( 0.000 5.438 -3.434) 6.432 3.018 ( 0.000 -0.371 -3.710) 3.728 3.703 ( 0.000 11.992 21.964) 25.025 3.755 ( 0.000 20.188 7.118) 21.406 4.323 ( 0.000 -15.736 0.976) 15.766 4.611 ( 0.000 1.527 5.640) 5.843 4.804 ( 0.000 8.204 15.307) 17.367 5.131 ( 0.000 0.865 1.310) 1.570 5.210 ( 0.000 -6.076 8.864) 10.746 5.622 ( 0.000 4.746 -6.673) 8.189 6.197 ( 0.000 13.285 -4.793) 14.123 6.213 ( 0.000 4.827 11.279) 12.268 6.944 ( 0.000 17.662 -1.420) 17.719 7.375 ( 0.000 -17.001 1.038) 17.033 8.164 ( 0.000 10.103 -2.804) 10.485 8.327 ( 0.000 10.746 -2.120) 10.953 8.367 ( 0.000 15.852 6.242) 17.037 8.708 ( 0.000 9.874 -8.564) 13.070 9.393 ( 0.000 0.111 -0.567) 0.577 9.720 ( 0.000 -20.545 -0.660) 20.556 9.976 ( 0.000 -8.876 2.060) 9.112 10.220 ( 0.000 -6.147 3.732) 7.191 10.330 ( 0.000 -11.774 3.597) 12.311 10.617 ( 0.000 15.487 -5.565) 16.456 11.052 ( 0.000 -5.471 -4.500) 7.084 11.837 ( 0.000 -4.241 -8.644) 9.628 11.953 ( 0.000 1.971 4.764) 5.155 12.689 ( 0.000 -9.977 2.129) 10.201 12.723 ( 0.000 1.517 -0.063) 1.519 13.747 ( 0.000 10.005 -1.229) 10.080 13.773 ( 0.000 11.207 -11.585) 16.118 14.203 ( 0.000 -8.360 -11.705) 14.384 14.205 ( 0.000 -8.067 -5.619) 9.831 14.946 ( 0.000 4.912 -6.811) 8.398 15.344 ( 0.000 -8.367 -12.348) 14.916 15.426 ( 0.000 -0.897 -18.661) 18.683 15.746 ( 0.000 6.738 -1.265) 6.855 16.399 ( 0.000 -9.454 1.306) 9.543 16.553 ( 0.000 -14.003 19.077) 23.665 17.027 ( 0.000 -4.283 17.804) 18.312 19.368 ( 0.000 -0.304 8.445) 8.451 19.382 ( 0.000 -0.671 7.374) 7.404 19.659 ( 0.000 -0.334 -11.869) 11.874 19.799 ( 0.000 -6.317 -3.245) 7.102 21.149 ( 0.000 2.505 -5.067) 5.652 21.475 ( 0.000 -3.027 1.913) 3.581 21.799 ( 0.000 -0.139 -2.017) 2.022 22.226 ( 0.000 1.718 -6.976) 7.185 22.519 ( 0.000 -1.184 7.535) 7.628 23.213 ( 0.000 1.349 12.357) 12.431 23.952 ( 0.000 6.246 0.995) 6.324 24.188 ( 0.000 5.460 2.839) 6.154 24.204 ( 0.000 -2.019 5.571) 5.926 24.965 ( 0.000 9.073 -4.843) 10.285 25.948 ( 0.000 -0.722 -1.658) 1.808 26.118 ( 0.000 -6.013 -1.550) 6.210 27.482 ( 0.000 1.835 -0.652) 1.948 27.772 ( 0.000 1.881 2.404) 3.052 27.915 ( 0.000 -9.509 -3.576) 10.159 28.157 ( 0.000 0.886 3.232) 3.351 28.465 ( 0.000 0.018 1.897) 1.897 28.534 ( 0.000 2.513 13.309) 13.544 28.708 ( 0.000 -3.185 6.365) 7.117 28.788 ( 0.000 -0.001 1.532) 1.532 29.230 ( 0.000 2.545 6.496) 6.977 29.635 ( 0.000 -3.967 -0.895) 4.067 31.265 ( 0.000 8.000 -2.555) 8.398 32.071 ( 0.000 1.060 -7.508) 7.582 ======================= Grid point 76 (32/108) ======================= q-point: ( 0.25 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.980 0.824 0.754) 4.134 2.177 ( -6.340 -1.448 -0.766) 6.548 2.432 ( 1.912 7.640 0.189) 7.878 2.511 ( -1.213 2.918 -0.086) 3.161 2.817 ( 2.439 3.857 -3.091) 5.512 2.981 ( -3.184 -0.409 -3.280) 4.589 3.738 ( 3.933 12.057 18.587) 22.501 3.827 ( 6.296 10.770 8.303) 14.986 4.153 ( -11.686 -3.832 7.937) 14.637 4.425 ( -15.556 2.566 9.710) 18.517 4.899 ( 4.019 5.141 5.077) 8.268 5.108 ( 3.528 1.450 1.930) 4.274 5.383 ( 13.122 0.016 6.480) 14.634 5.687 ( 1.362 1.744 1.924) 2.932 6.099 ( -3.226 10.259 -6.532) 12.582 6.308 ( 2.464 1.237 5.974) 6.580 7.116 ( 13.410 18.434 -3.386) 23.046 7.407 ( 1.993 -14.953 0.197) 15.087 8.083 ( -5.205 5.838 1.357) 7.938 8.235 ( -5.112 24.296 1.512) 24.874 8.439 ( 3.440 11.224 2.324) 11.968 8.721 ( 2.157 2.740 -10.884) 11.429 9.147 ( -15.419 1.551 2.596) 15.713 9.660 ( -21.346 -6.515 2.639) 22.473 9.847 ( 4.239 -17.801 -0.036) 18.299 10.126 ( -5.403 -11.222 2.257) 12.658 10.411 ( 10.694 -5.795 -0.792) 12.189 10.762 ( 4.132 7.690 -2.622) 9.115 11.328 ( 21.785 -3.973 -0.579) 22.152 11.907 ( 3.254 1.357 -0.768) 3.608 12.026 ( 5.548 -3.582 -1.617) 6.799 12.463 ( -18.227 -6.241 -1.590) 19.332 12.694 ( 2.230 -0.182 -2.228) 3.157 13.528 ( -19.529 5.804 -13.445) 24.409 13.922 ( 9.713 11.320 -3.396) 15.298 14.136 ( 6.996 -5.888 -7.167) 11.619 14.458 ( 8.185 -7.642 -6.339) 12.868 14.776 ( -12.353 -0.962 -4.379) 13.141 15.254 ( -1.493 1.658 -13.331) 13.517 15.582 ( 5.433 -2.248 -13.577) 14.796 15.818 ( 5.964 2.435 -7.033) 9.538 16.274 ( -8.699 -12.247 1.156) 15.067 16.619 ( 4.524 -8.597 19.634) 21.906 16.966 ( -5.116 -5.049 19.175) 20.478 19.362 ( -0.513 0.053 6.624) 6.644 19.381 ( -0.048 -0.644 8.260) 8.285 19.663 ( 0.489 -1.223 -10.845) 10.925 19.757 ( -3.213 -5.181 -5.028) 7.902 21.241 ( 7.581 1.705 -3.776) 8.639 21.559 ( 4.763 -2.844 2.158) 5.952 21.740 ( -2.340 0.369 -3.311) 4.071 22.169 ( -6.915 -2.222 -3.316) 7.984 22.621 ( 10.748 3.060 4.832) 12.175 23.167 ( -5.824 2.502 9.422) 11.356 23.926 ( -0.650 5.002 2.803) 5.771 24.129 ( -6.191 -1.277 6.134) 8.808 24.293 ( 8.971 5.986 2.137) 10.994 24.821 ( -11.696 8.586 -2.574) 14.736 26.012 ( 5.182 -1.592 -1.822) 5.719 26.149 ( 1.399 -5.764 -2.065) 6.280 27.495 ( 1.537 -0.555 -0.818) 1.828 27.687 ( -5.349 -4.529 1.490) 7.165 28.011 ( 6.023 -2.520 -2.729) 7.077 28.172 ( 0.787 -0.830 0.964) 1.496 28.420 ( -2.245 1.911 7.062) 7.652 28.572 ( -1.279 0.680 1.855) 2.353 28.667 ( 2.047 -0.937 11.850) 12.062 28.855 ( 2.673 -0.232 3.767) 4.625 29.231 ( 1.187 1.601 6.107) 6.424 29.526 ( -8.749 -2.837 0.397) 9.206 31.417 ( 12.518 6.888 -3.726) 14.766 31.976 ( -8.571 2.022 -6.933) 11.208 ======================= Grid point 77 (33/108) ======================= q-point: (-0.50 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.000 0.661 -0.508) 0.833 2.035 ( -0.000 0.276 0.973) 1.011 2.473 ( 0.000 4.945 0.311) 4.954 2.479 ( 0.000 5.233 -0.632) 5.271 2.877 ( 0.000 1.373 -3.435) 3.700 2.911 ( 0.000 0.161 -2.397) 2.403 3.856 ( -0.000 5.970 13.585) 14.839 3.902 ( 0.000 6.143 11.459) 13.002 4.050 ( -0.000 6.139 8.014) 10.096 4.111 ( 0.000 2.723 15.286) 15.527 4.951 ( 0.000 8.375 -2.836) 8.842 5.190 ( 0.000 0.732 8.255) 8.287 5.546 ( 0.000 5.504 -0.300) 5.512 5.692 ( 0.000 2.833 7.382) 7.907 6.073 ( 0.000 4.792 -6.262) 7.886 6.316 ( 0.000 -1.876 4.920) 5.265 7.301 ( 0.000 3.443 -9.467) 10.074 7.434 ( 0.000 -1.645 -0.744) 1.805 8.079 ( -0.000 21.138 3.107) 21.365 8.105 ( 0.000 18.935 7.230) 20.268 8.554 ( 0.000 2.720 -5.265) 5.926 8.641 ( -0.000 5.708 -2.367) 6.180 9.098 ( -0.000 -2.051 -0.503) 2.112 9.250 ( 0.000 -4.497 4.526) 6.380 9.945 ( 0.000 -15.173 -0.394) 15.179 10.030 ( -0.000 -15.594 1.799) 15.697 10.636 ( 0.000 3.009 -2.153) 3.700 10.714 ( -0.000 -1.335 0.720) 1.517 11.831 ( 0.000 -5.469 -1.022) 5.564 11.836 ( -0.000 -0.300 -2.199) 2.219 12.075 ( 0.000 0.665 1.681) 1.808 12.102 ( -0.000 -5.809 3.944) 7.022 12.962 ( 0.000 3.341 -14.718) 15.092 13.074 ( 0.000 0.544 -12.114) 12.126 14.075 ( 0.000 11.354 -8.322) 14.077 14.316 ( -0.000 -1.666 0.647) 1.787 14.420 ( 0.000 -6.129 -8.521) 10.496 14.652 ( 0.000 -8.560 -2.955) 9.056 15.259 ( 0.000 7.818 -13.276) 15.407 15.625 ( 0.000 -3.118 -7.088) 7.744 15.911 ( 0.000 -2.723 -11.862) 12.170 16.147 ( 0.000 -11.122 -2.756) 11.458 16.697 ( 0.000 -3.034 20.862) 21.082 16.876 ( 0.000 -8.132 21.391) 22.884 19.355 ( 0.000 0.393 5.296) 5.311 19.380 ( 0.000 -0.615 8.603) 8.625 19.685 ( 0.000 -2.870 -7.476) 8.008 19.699 ( 0.000 -3.386 -8.976) 9.593 21.385 ( 0.000 1.676 -3.101) 3.524 21.520 ( 0.000 -1.661 1.308) 2.115 21.832 ( 0.000 0.020 -4.813) 4.813 22.006 ( -0.000 -4.709 0.967) 4.808 22.919 ( -0.000 5.229 4.389) 6.827 22.937 ( 0.000 4.064 4.746) 6.248 23.974 ( 0.000 2.057 5.446) 5.821 23.995 ( -0.000 0.778 6.335) 6.383 24.526 ( -0.000 7.641 0.278) 7.646 24.553 ( 0.000 6.561 0.778) 6.607 26.111 ( -0.000 -3.007 -2.495) 3.907 26.136 ( 0.000 -4.494 -1.814) 4.847 27.539 ( 0.000 -3.746 -1.483) 4.029 27.599 ( -0.000 -5.857 1.784) 6.122 28.102 ( 0.000 -0.024 -1.898) 1.898 28.167 ( 0.000 -2.373 -2.068) 3.147 28.397 ( -0.000 3.744 6.439) 7.448 28.527 ( 0.000 -3.238 5.255) 6.172 28.737 ( 0.000 4.277 6.515) 7.794 28.864 ( 0.000 -1.292 8.752) 8.847 29.320 ( 0.000 0.127 2.857) 2.860 29.341 ( -0.000 -1.497 3.517) 3.822 31.696 ( 0.000 6.044 -6.672) 9.003 31.748 ( 0.000 2.844 -4.473) 5.301 ======================= Grid point 80 (34/108) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.000 0.000 1.022) 1.022 2.222 ( 0.000 0.000 -1.005) 1.005 2.503 ( 0.000 0.000 1.210) 1.210 2.541 ( 0.000 0.000 0.772) 0.772 2.853 ( 0.000 0.000 -5.861) 5.861 2.998 ( 0.000 0.000 -4.689) 4.689 3.911 ( 0.000 0.000 28.946) 28.946 3.980 ( 0.000 0.000 3.768) 3.768 4.079 ( 0.000 -0.000 -3.963) 3.963 4.606 ( 0.000 0.000 8.027) 8.027 4.908 ( 0.000 0.000 17.428) 17.428 5.133 ( 0.000 0.000 12.454) 12.454 5.151 ( 0.000 0.000 -2.024) 2.024 5.677 ( 0.000 0.000 -8.585) 8.585 6.257 ( 0.000 0.000 10.611) 10.611 6.328 ( 0.000 0.000 -6.832) 6.832 7.141 ( 0.000 0.000 -2.565) 2.565 7.165 ( 0.000 0.000 0.408) 0.408 8.193 ( 0.000 0.000 1.632) 1.632 8.489 ( 0.000 0.000 1.720) 1.720 8.722 ( 0.000 0.000 4.185) 4.185 8.792 ( 0.000 0.000 -21.549) 21.549 9.422 ( 0.000 0.000 1.533) 1.533 9.422 ( 0.000 0.000 6.523) 6.523 9.780 ( 0.000 0.000 12.956) 12.956 10.162 ( 0.000 0.000 -1.407) 1.407 10.243 ( 0.000 0.000 2.650) 2.650 10.767 ( 0.000 0.000 -12.921) 12.921 11.018 ( 0.000 0.000 -0.024) 0.024 11.789 ( 0.000 0.000 -9.270) 9.270 11.979 ( 0.000 0.000 4.175) 4.175 12.567 ( 0.000 0.000 2.545) 2.545 12.741 ( 0.000 0.000 0.613) 0.613 13.936 ( 0.000 0.000 -0.403) 0.403 13.976 ( 0.000 0.000 -5.002) 5.002 14.024 ( 0.000 -0.000 -12.709) 12.709 14.027 ( 0.000 -0.000 -12.715) 12.715 15.003 ( 0.000 0.000 -10.373) 10.373 15.253 ( 0.000 0.000 -13.775) 13.775 15.417 ( 0.000 0.000 -22.932) 22.932 15.836 ( 0.000 0.000 -0.077) 0.077 16.283 ( 0.000 0.000 10.992) 10.992 16.395 ( 0.000 0.000 22.733) 22.733 16.995 ( 0.000 0.000 13.498) 13.498 19.365 ( 0.000 0.000 7.960) 7.960 19.373 ( 0.000 0.000 5.691) 5.691 19.683 ( 0.000 -0.000 -10.903) 10.903 19.712 ( 0.000 0.000 -3.144) 3.144 21.181 ( 0.000 0.000 -1.984) 1.984 21.439 ( 0.000 0.000 -1.124) 1.124 21.799 ( 0.000 0.000 -2.932) 2.932 22.241 ( 0.000 0.000 -7.548) 7.548 22.506 ( 0.000 0.000 8.664) 8.664 23.226 ( 0.000 0.000 12.605) 12.605 24.036 ( 0.000 0.000 0.269) 0.269 24.162 ( 0.000 0.000 6.469) 6.469 24.246 ( 0.000 0.000 2.721) 2.721 25.061 ( 0.000 0.000 -5.124) 5.124 25.954 ( 0.000 0.000 -1.284) 1.284 26.044 ( 0.000 0.000 -1.549) 1.549 27.509 ( 0.000 0.000 2.400) 2.400 27.790 ( 0.000 0.000 2.071) 2.071 27.801 ( 0.000 0.000 -7.948) 7.948 28.165 ( 0.000 0.000 2.929) 2.929 28.466 ( 0.000 0.000 3.015) 3.015 28.566 ( 0.000 0.000 18.750) 18.750 28.671 ( 0.000 0.000 1.437) 1.437 28.789 ( 0.000 0.000 1.056) 1.056 29.257 ( 0.000 0.000 6.625) 6.625 29.599 ( 0.000 0.000 0.563) 0.563 31.346 ( 0.000 0.000 -2.957) 2.957 32.081 ( 0.000 0.000 -7.255) 7.255 ======================= Grid point 82 (35/108) ======================= q-point: ( 0.25 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.214 0.000 0.791) 4.287 2.160 ( -5.226 0.000 -0.624) 5.263 2.513 ( 0.698 0.000 1.004) 1.223 2.539 ( -0.257 0.000 0.703) 0.748 2.863 ( 0.942 0.000 -5.437) 5.518 2.962 ( -3.033 0.000 -4.443) 5.380 3.913 ( 0.618 0.000 25.138) 25.146 3.920 ( -0.332 0.000 4.057) 4.071 4.078 ( -2.390 0.000 4.921) 5.471 4.442 ( -15.204 0.000 7.735) 17.058 4.996 ( 7.679 0.000 12.822) 14.945 5.122 ( 1.740 0.000 0.091) 1.743 5.376 ( 17.605 0.000 9.172) 19.851 5.703 ( -0.424 0.000 -4.127) 4.149 6.245 ( -5.954 0.000 -6.669) 8.940 6.269 ( -0.188 0.000 5.427) 5.430 7.221 ( 4.491 0.000 -0.007) 4.491 7.319 ( 10.352 0.000 -4.327) 11.219 8.096 ( -1.639 0.000 3.742) 4.085 8.486 ( 0.009 0.000 -1.699) 1.699 8.740 ( -4.440 0.000 -16.481) 17.069 8.774 ( 2.189 0.000 4.286) 4.812 9.238 ( -15.119 0.000 6.597) 16.495 9.362 ( -6.465 -0.000 3.562) 7.381 9.742 ( -2.896 0.000 10.089) 10.497 9.918 ( -12.455 0.000 -2.518) 12.707 10.371 ( 13.284 0.000 -0.460) 13.292 10.855 ( 0.065 0.000 -5.623) 5.623 11.297 ( 21.827 0.000 0.924) 21.846 11.923 ( 7.800 0.000 -7.200) 10.615 11.995 ( 1.629 0.000 2.969) 3.387 12.377 ( -16.831 0.000 -1.839) 16.932 12.700 ( 2.902 0.000 -0.867) 3.029 13.598 ( -24.361 0.000 -13.494) 27.848 14.001 ( 10.094 0.000 -2.209) 10.333 14.210 ( 12.933 0.000 -6.225) 14.353 14.250 ( 5.984 -0.000 -11.606) 13.058 14.761 ( -16.304 0.000 -8.678) 18.470 15.300 ( 5.159 0.000 -9.814) 11.087 15.550 ( 5.030 0.000 -21.630) 22.207 15.868 ( 2.594 0.000 -2.496) 3.600 16.088 ( -11.063 0.000 11.098) 15.670 16.547 ( 8.824 0.000 20.971) 22.751 16.925 ( -6.291 0.000 15.207) 16.457 19.365 ( 0.004 0.000 7.427) 7.427 19.369 ( -0.232 0.000 5.614) 5.619 19.669 ( -0.922 -0.000 -10.167) 10.209 19.690 ( -1.684 0.000 -4.564) 4.865 21.264 ( 7.160 0.000 -1.764) 7.374 21.519 ( 4.426 0.000 -0.928) 4.522 21.752 ( -1.456 0.000 -2.662) 3.034 22.140 ( -8.858 0.000 -3.211) 9.422 22.652 ( 12.696 0.000 4.614) 13.508 23.191 ( -4.687 0.000 10.030) 11.071 23.991 ( -2.622 0.000 1.958) 3.272 24.099 ( -4.857 0.000 6.907) 8.444 24.357 ( 9.375 0.000 1.811) 9.548 24.911 ( -12.230 0.000 -3.160) 12.632 26.006 ( 4.202 0.000 -1.523) 4.470 26.083 ( 2.276 0.000 -1.833) 2.922 27.501 ( -0.468 0.000 1.779) 1.840 27.611 ( -7.038 0.000 -1.254) 7.149 27.991 ( 8.168 0.000 -4.199) 9.185 28.163 ( -0.388 0.000 1.544) 1.592 28.441 ( -0.770 0.000 7.665) 7.704 28.574 ( -6.115 0.000 2.972) 6.799 28.666 ( 7.294 0.000 12.389) 14.376 28.853 ( 2.459 0.000 1.934) 3.129 29.249 ( 0.282 0.000 6.523) 6.530 29.500 ( -7.942 0.000 1.607) 8.103 31.486 ( 11.625 0.000 -3.944) 12.276 31.996 ( -7.745 0.000 -6.839) 10.332 ======================= Grid point 84 (36/108) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -6.310 -0.185 0.135) 6.315 2.027 ( 6.310 0.185 0.135) 6.315 2.528 ( -0.463 -0.242 0.715) 0.886 2.528 ( 0.463 0.242 0.715) 0.886 2.897 ( -1.874 -0.620 -4.570) 4.978 2.897 ( 1.874 0.620 -4.570) 4.978 3.946 ( -0.541 -1.902 15.567) 15.692 3.946 ( 0.541 1.902 15.567) 15.692 4.114 ( -10.766 -0.201 6.984) 12.835 4.114 ( 10.766 0.201 6.984) 12.835 5.140 ( -0.737 -6.934 5.820) 9.083 5.140 ( 0.737 6.934 5.820) 9.083 5.654 ( -2.713 -3.870 2.530) 5.361 5.654 ( 2.713 3.870 2.530) 5.361 6.204 ( -0.943 -6.995 -1.878) 7.304 6.204 ( 0.943 6.995 -1.878) 7.304 7.334 ( -3.413 -2.831 -2.849) 5.270 7.334 ( 3.413 2.831 -2.849) 5.270 8.365 ( -18.295 -0.118 -1.809) 18.384 8.365 ( 18.295 0.118 -1.809) 18.384 8.665 ( -0.164 -6.004 -2.100) 6.363 8.665 ( 0.164 6.004 -2.100) 6.363 9.165 ( -5.172 -4.680 6.633) 9.625 9.165 ( 5.172 4.680 6.633) 9.625 9.751 ( -1.959 -3.032 1.487) 3.903 9.751 ( 1.959 3.032 1.487) 3.903 10.694 ( -13.162 -0.413 -1.395) 13.242 10.694 ( 13.162 0.413 -1.395) 13.242 11.806 ( -21.333 -0.390 1.459) 21.386 11.806 ( 21.333 0.390 1.459) 21.386 12.062 ( -5.331 -0.504 -1.644) 5.601 12.062 ( 5.331 0.504 -1.644) 5.601 13.039 ( -24.197 -1.003 -11.389) 26.762 13.039 ( 24.197 1.003 -11.389) 26.762 14.248 ( -5.849 -2.728 -5.999) 8.811 14.248 ( 5.849 2.728 -5.999) 8.811 14.443 ( -5.439 -8.578 -9.364) 13.815 14.443 ( 5.439 8.578 -9.364) 13.815 15.482 ( -3.839 -10.425 -8.551) 14.019 15.482 ( 3.839 10.425 -8.551) 14.019 15.931 ( -1.046 -5.660 -1.946) 6.076 15.931 ( 1.046 5.660 -1.946) 6.076 16.748 ( -6.492 -3.714 19.131) 20.542 16.748 ( 6.492 3.714 19.131) 20.542 19.366 ( -0.003 -0.695 6.186) 6.225 19.366 ( 0.003 0.695 6.186) 6.225 19.662 ( -0.328 -0.297 -7.651) 7.664 19.662 ( 0.328 0.297 -7.651) 7.664 21.447 ( -6.186 -2.856 -1.524) 6.982 21.447 ( 6.186 2.856 -1.524) 6.982 21.900 ( -9.146 -3.418 -1.629) 9.899 21.900 ( 9.146 3.418 -1.629) 9.899 22.974 ( -14.804 -0.019 4.924) 15.601 22.974 ( 14.804 0.019 4.924) 15.601 23.996 ( -3.334 -0.122 5.796) 6.688 23.996 ( 3.334 0.122 5.796) 6.688 24.616 ( -13.845 -0.075 -0.085) 13.846 24.616 ( 13.845 0.075 -0.085) 13.846 26.088 ( -2.087 -0.224 -1.870) 2.811 26.088 ( 2.087 0.224 -1.870) 2.811 27.512 ( -1.168 -1.423 0.289) 1.864 27.512 ( 1.168 1.423 0.289) 1.864 28.125 ( -2.820 -1.231 -2.411) 3.909 28.125 ( 2.820 1.231 -2.411) 3.909 28.464 ( -1.607 -2.659 6.868) 7.539 28.464 ( 1.607 2.659 6.868) 7.539 28.819 ( -3.627 -2.470 6.700) 8.009 28.819 ( 3.627 2.470 6.700) 8.009 29.325 ( -6.878 -0.035 4.038) 7.975 29.325 ( 6.878 0.035 4.038) 7.975 31.767 ( -12.778 -0.190 -5.638) 13.967 31.767 ( 12.778 0.190 -5.638) 13.967 ======================= Grid point 110 (37/108) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 0.000 32.111) 32.111 1.438 ( 0.000 0.000 28.293) 28.293 2.194 ( 0.000 0.000 5.278) 5.278 2.420 ( 0.000 0.000 42.546) 42.546 2.517 ( 0.000 0.000 7.198) 7.198 2.594 ( 0.000 0.000 -13.617) 13.617 2.746 ( 0.000 0.000 3.252) 3.252 3.193 ( 0.000 0.000 9.342) 9.342 3.906 ( 0.000 0.000 21.352) 21.352 4.404 ( 0.000 0.000 17.354) 17.354 4.454 ( 0.000 0.000 30.422) 30.422 5.015 ( 0.000 0.000 0.025) 0.025 5.209 ( 0.000 0.000 -9.573) 9.573 5.692 ( 0.000 0.000 -10.917) 10.917 5.967 ( 0.000 0.000 -8.529) 8.529 5.988 ( 0.000 0.000 1.211) 1.211 6.009 ( 0.000 0.000 1.182) 1.182 6.573 ( 0.000 0.000 5.625) 5.625 7.462 ( 0.000 0.000 15.037) 15.037 8.049 ( 0.000 0.000 8.223) 8.223 8.474 ( 0.000 0.000 -13.225) 13.225 8.657 ( 0.000 0.000 -3.733) 3.733 9.424 ( 0.000 0.000 -4.971) 4.971 9.664 ( 0.000 0.000 -9.814) 9.814 10.061 ( 0.000 0.000 -2.556) 2.556 10.514 ( 0.000 0.000 -7.706) 7.706 10.861 ( 0.000 0.000 -12.681) 12.681 11.192 ( 0.000 0.000 -0.924) 0.924 11.423 ( 0.000 0.000 16.194) 16.194 12.256 ( 0.000 0.000 -15.076) 15.076 12.388 ( 0.000 0.000 -0.598) 0.598 12.694 ( 0.000 0.000 -1.145) 1.145 12.955 ( 0.000 0.000 -0.197) 0.197 13.054 ( 0.000 0.000 -4.327) 4.327 13.652 ( 0.000 0.000 -1.540) 1.540 13.763 ( 0.000 0.000 9.495) 9.495 14.042 ( 0.000 0.000 -7.403) 7.403 14.545 ( 0.000 0.000 -9.269) 9.269 15.003 ( 0.000 0.000 4.641) 4.641 15.364 ( 0.000 0.000 -13.944) 13.944 16.065 ( 0.000 0.000 -18.465) 18.465 16.281 ( 0.000 0.000 -12.357) 12.357 17.659 ( 0.000 0.000 -10.653) 10.653 18.025 ( 0.000 0.000 -7.351) 7.351 19.631 ( 0.000 0.000 1.562) 1.562 19.778 ( 0.000 0.000 19.832) 19.832 19.854 ( 0.000 0.000 -17.945) 17.945 20.868 ( 0.000 0.000 -11.117) 11.117 21.416 ( 0.000 0.000 -6.651) 6.651 21.522 ( 0.000 0.000 -6.474) 6.474 21.641 ( 0.000 0.000 12.240) 12.240 22.219 ( 0.000 0.000 12.941) 12.941 22.380 ( 0.000 0.000 19.492) 19.492 23.036 ( 0.000 0.000 13.146) 13.146 23.188 ( 0.000 0.000 4.384) 4.384 23.705 ( 0.000 0.000 4.386) 4.386 24.097 ( 0.000 0.000 10.766) 10.766 24.416 ( 0.000 0.000 16.346) 16.346 26.397 ( 0.000 0.000 -2.379) 2.379 26.432 ( 0.000 0.000 -10.570) 10.570 27.540 ( 0.000 0.000 -5.684) 5.684 27.594 ( 0.000 0.000 7.314) 7.314 28.073 ( 0.000 0.000 3.577) 3.577 28.430 ( 0.000 0.000 5.810) 5.810 28.447 ( 0.000 0.000 3.364) 3.364 28.500 ( 0.000 0.000 -3.393) 3.393 28.867 ( 0.000 0.000 -0.283) 0.283 29.247 ( 0.000 0.000 -5.891) 5.891 29.360 ( 0.000 0.000 6.669) 6.669 30.103 ( 0.000 0.000 14.036) 14.036 30.448 ( 0.000 0.000 -14.045) 14.045 31.330 ( 0.000 0.000 -4.461) 4.461 ======================= Grid point 111 (38/108) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 10.056 0.000 18.604) 21.148 1.599 ( 13.229 0.000 25.032) 28.312 2.156 ( -4.767 0.000 4.860) 6.808 2.272 ( -15.428 0.000 0.195) 15.430 2.508 ( 10.081 0.000 37.050) 38.397 2.709 ( 3.606 0.000 -1.314) 3.838 3.019 ( 20.120 0.000 3.229) 20.378 3.215 ( 2.243 0.000 10.983) 11.210 3.729 ( -11.655 0.000 18.229) 21.637 4.187 ( -19.298 0.000 22.207) 29.421 4.309 ( -4.598 0.000 22.564) 23.028 4.776 ( -18.888 0.000 8.316) 20.638 5.412 ( 12.256 0.000 -7.391) 14.312 5.773 ( 0.726 0.000 -7.144) 7.180 5.952 ( 4.382 0.000 -8.860) 9.885 6.042 ( 3.168 0.000 0.941) 3.305 6.202 ( 14.090 0.000 0.443) 14.097 6.655 ( 2.292 0.000 9.587) 9.857 7.352 ( -2.670 0.000 4.889) 5.570 7.894 ( -13.450 0.000 7.680) 15.488 8.567 ( 3.867 0.000 -9.212) 9.990 8.591 ( -3.754 0.000 -4.534) 5.887 9.492 ( 4.425 0.000 -2.499) 5.082 9.627 ( -3.165 0.000 -6.261) 7.015 10.119 ( 7.324 0.000 -4.683) 8.693 10.480 ( -3.362 0.000 -11.863) 12.330 10.928 ( 5.545 0.000 -9.811) 11.269 11.136 ( -3.062 0.000 -1.538) 3.427 11.666 ( 16.049 0.000 10.856) 19.376 12.025 ( -17.340 0.000 0.836) 17.360 12.114 ( -7.102 0.000 -11.192) 13.256 12.718 ( -14.406 0.000 -7.124) 16.072 13.138 ( 12.932 0.000 -2.474) 13.167 13.186 ( 13.610 0.000 10.262) 17.046 13.641 ( -0.501 0.000 -11.552) 11.563 13.712 ( -4.299 0.000 9.311) 10.256 14.254 ( 15.477 0.000 -9.433) 18.125 14.559 ( 0.740 0.000 -8.832) 8.863 14.952 ( -3.142 0.000 5.052) 5.949 15.231 ( -11.034 0.000 -13.068) 17.103 16.089 ( 1.654 0.000 -17.612) 17.690 16.208 ( -4.981 0.000 -13.113) 14.028 17.719 ( 5.146 0.000 -10.086) 11.323 17.976 ( -4.365 0.000 -7.740) 8.886 19.611 ( -1.288 0.000 2.386) 2.712 19.668 ( -4.726 0.000 4.503) 6.528 20.046 ( 12.616 0.000 -0.537) 12.628 20.843 ( -11.901 0.000 -5.170) 12.975 21.109 ( -13.390 0.000 2.302) 13.587 21.329 ( -7.074 0.000 -6.547) 9.638 21.768 ( 8.140 0.000 13.231) 15.534 22.182 ( -6.283 0.000 16.455) 17.614 22.434 ( 7.486 0.000 14.425) 16.252 22.922 ( -10.645 0.000 11.305) 15.528 23.377 ( 13.786 0.000 4.988) 14.661 23.739 ( 1.216 0.000 4.584) 4.743 24.055 ( -2.139 0.000 11.275) 11.476 24.288 ( -8.704 0.000 15.167) 17.487 26.527 ( 8.055 0.000 -11.264) 13.848 26.688 ( 12.609 0.000 -13.812) 18.702 27.594 ( 5.508 0.000 -5.947) 8.106 27.620 ( 2.306 0.000 6.516) 6.912 28.107 ( 2.845 0.000 4.218) 5.088 28.362 ( -5.564 0.000 4.088) 6.904 28.415 ( -0.313 0.000 1.073) 1.118 28.500 ( -0.632 0.000 -2.913) 2.981 28.960 ( 6.883 0.000 -2.259) 7.244 29.212 ( -3.309 0.000 -6.092) 6.933 29.421 ( 6.000 0.000 6.217) 8.640 29.910 ( -13.232 0.000 5.936) 14.502 30.637 ( 12.978 0.000 -4.643) 13.784 31.201 ( -10.730 0.000 -1.294) 10.807 ======================= Grid point 112 (39/108) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -5.522 0.000 7.350) 9.193 1.817 ( 5.522 0.000 7.350) 9.193 2.003 ( -2.080 0.000 12.131) 12.308 2.003 ( 2.080 0.000 12.131) 12.308 2.702 ( -4.940 0.000 12.314) 13.268 2.702 ( 4.940 0.000 12.314) 13.268 3.283 ( -0.267 0.000 14.363) 14.366 3.283 ( 0.267 0.000 14.363) 14.366 3.753 ( -15.120 0.000 11.353) 18.908 3.753 ( 15.120 0.000 11.353) 18.908 4.378 ( -12.624 0.000 21.767) 25.163 4.378 ( 12.624 0.000 21.767) 25.163 5.647 ( -8.655 0.000 -6.975) 11.116 5.647 ( 8.655 0.000 -6.975) 11.116 6.076 ( -0.266 0.000 -3.277) 3.287 6.076 ( 0.266 0.000 -3.277) 3.287 6.508 ( -9.671 0.000 6.351) 11.570 6.508 ( 9.671 0.000 6.351) 11.570 7.541 ( -16.852 0.000 2.870) 17.095 7.541 ( 16.852 0.000 2.870) 17.095 8.570 ( -0.223 0.000 -5.515) 5.519 8.570 ( 0.223 0.000 -5.515) 5.519 9.565 ( -2.428 0.000 -1.001) 2.626 9.565 ( 2.428 0.000 -1.001) 2.626 10.338 ( -5.845 0.000 -12.534) 13.830 10.338 ( 5.845 0.000 -12.534) 13.830 11.055 ( -4.101 0.000 -5.508) 6.867 11.055 ( 4.101 0.000 -5.508) 6.867 11.813 ( -2.082 0.000 -0.344) 2.110 11.813 ( 2.082 0.000 -0.344) 2.110 12.297 ( -16.909 0.000 -0.050) 16.910 12.297 ( 16.909 0.000 -0.050) 16.910 13.346 ( -0.258 0.000 -0.075) 0.268 13.346 ( 0.258 0.000 -0.075) 0.268 13.626 ( -0.260 0.000 2.126) 2.142 13.626 ( 0.260 0.000 2.126) 2.142 14.524 ( -2.285 0.000 -10.708) 10.949 14.524 ( 2.285 0.000 -10.708) 10.949 14.986 ( -3.635 0.000 -4.492) 5.778 14.986 ( 3.635 0.000 -4.492) 5.778 16.128 ( -0.933 0.000 -15.770) 15.798 16.128 ( 0.933 0.000 -15.770) 15.798 17.852 ( -6.398 0.000 -8.816) 10.893 17.852 ( 6.398 0.000 -8.816) 10.893 19.605 ( -0.151 0.000 3.164) 3.168 19.605 ( 0.151 0.000 3.164) 3.168 20.389 ( -15.882 0.000 5.088) 16.677 20.389 ( 15.882 0.000 5.088) 16.677 21.160 ( -4.749 0.000 -6.595) 8.127 21.160 ( 4.749 0.000 -6.595) 8.127 21.981 ( -6.816 0.000 15.865) 17.267 21.981 ( 6.816 0.000 15.865) 17.267 22.662 ( -12.007 0.000 12.209) 17.124 22.662 ( 12.007 0.000 12.209) 17.124 23.645 ( -9.906 0.000 5.162) 11.170 23.645 ( 9.906 0.000 5.162) 11.170 24.109 ( -6.959 0.000 12.361) 14.185 24.109 ( 6.959 0.000 12.361) 14.185 26.712 ( -5.879 0.000 -13.263) 14.507 26.712 ( 5.879 0.000 -13.263) 14.507 27.666 ( -0.123 0.000 1.715) 1.719 27.666 ( 0.123 0.000 1.715) 1.719 28.216 ( -4.941 0.000 2.943) 5.751 28.216 ( 4.941 0.000 2.943) 5.751 28.460 ( -0.712 0.000 -3.089) 3.170 28.460 ( 0.712 0.000 -3.089) 3.170 29.108 ( -6.197 0.000 -5.473) 8.267 29.108 ( 6.197 0.000 -5.473) 8.267 29.623 ( -7.119 0.000 4.679) 8.519 29.623 ( 7.119 0.000 4.679) 8.519 30.929 ( -5.102 0.000 -0.146) 5.104 30.929 ( 5.102 0.000 -0.146) 5.104 ======================= Grid point 115 (40/108) ======================= q-point: ( 0.00 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 9.746 21.595) 23.693 1.574 ( 0.000 9.674 23.001) 24.953 2.230 ( 0.000 3.402 2.056) 3.975 2.504 ( 0.000 -6.150 -10.706) 12.347 2.514 ( 0.000 9.658 24.009) 25.879 2.582 ( 0.000 6.819 19.360) 20.526 2.864 ( 0.000 8.929 4.958) 10.213 3.419 ( 0.000 18.421 9.446) 20.702 3.992 ( 0.000 8.822 14.644) 17.096 4.400 ( 0.000 2.342 19.161) 19.304 4.574 ( 0.000 10.184 31.490) 33.096 5.126 ( 0.000 -7.827 -9.462) 12.280 5.180 ( 0.000 15.292 2.268) 15.459 5.546 ( 0.000 -7.744 -5.372) 9.425 5.927 ( 0.000 -4.335 1.839) 4.709 5.983 ( 0.000 3.586 -7.931) 8.704 6.227 ( 0.000 9.732 2.683) 10.095 6.689 ( 0.000 10.857 6.022) 12.415 7.455 ( 0.000 3.196 8.748) 9.314 8.087 ( 0.000 3.415 8.090) 8.781 8.408 ( 0.000 -6.749 -10.009) 12.072 8.673 ( 0.000 0.800 -4.976) 5.039 9.421 ( 0.000 -0.486 -4.977) 5.001 9.623 ( 0.000 -2.619 -10.909) 11.219 10.075 ( 0.000 0.131 -3.172) 3.174 10.448 ( 0.000 -4.393 -6.897) 8.177 10.819 ( 0.000 -5.499 -8.751) 10.336 11.208 ( 0.000 -0.222 0.765) 0.796 11.336 ( 0.000 -6.138 10.979) 12.579 12.133 ( 0.000 -6.713 -9.272) 11.447 12.518 ( 0.000 -16.805 5.068) 17.553 12.535 ( 0.000 8.655 -3.922) 9.502 12.872 ( 0.000 1.115 -11.055) 11.111 13.297 ( 0.000 -15.777 2.990) 16.057 13.298 ( 0.000 13.161 -0.547) 13.173 13.972 ( 0.000 -4.641 -9.565) 10.632 14.066 ( 0.000 12.632 -0.815) 12.658 14.717 ( 0.000 14.068 -7.300) 15.850 14.877 ( 0.000 -7.571 3.355) 8.281 15.520 ( 0.000 7.896 -13.833) 15.928 15.955 ( 0.000 -10.136 -17.076) 19.858 16.274 ( 0.000 0.347 -11.326) 11.331 17.593 ( 0.000 -6.544 -7.780) 10.166 17.979 ( 0.000 -4.705 -4.171) 6.287 19.478 ( 0.000 -8.984 -6.274) 10.958 19.747 ( 0.000 -2.573 18.859) 19.034 19.915 ( 0.000 -0.006 -10.179) 10.179 20.899 ( 0.000 -29.698 8.958) 31.020 20.928 ( 0.000 3.929 -9.229) 10.030 21.536 ( 0.000 -6.038 6.614) 8.956 21.739 ( 0.000 5.254 -8.860) 10.301 22.240 ( 0.000 -0.312 12.663) 12.667 22.515 ( 0.000 9.138 8.939) 12.783 23.130 ( 0.000 8.384 13.406) 15.812 23.262 ( 0.000 8.190 1.429) 8.314 23.770 ( 0.000 6.101 4.872) 7.808 24.185 ( 0.000 7.542 10.559) 12.976 24.423 ( 0.000 1.177 15.475) 15.519 26.264 ( 0.000 -9.123 -5.895) 10.862 26.443 ( 0.000 -2.074 -5.869) 6.224 27.471 ( 0.000 -5.080 -4.787) 6.980 27.628 ( 0.000 3.296 6.989) 7.727 28.097 ( 0.000 2.224 3.869) 4.462 28.338 ( 0.000 -1.086 9.052) 9.117 28.475 ( 0.000 -1.919 -2.853) 3.438 28.554 ( 0.000 2.180 2.434) 3.268 28.909 ( 0.000 3.271 1.138) 3.464 29.274 ( 0.000 1.362 1.904) 2.341 29.285 ( 0.000 -5.084 8.824) 10.183 30.150 ( 0.000 -20.792 -12.219) 24.117 30.293 ( 0.000 16.040 8.800) 18.296 31.537 ( 0.000 12.680 -11.782) 17.309 ======================= Grid point 116 (41/108) ======================= q-point: ( 0.25 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 9.167 7.760 14.297) 18.672 1.709 ( 10.797 8.149 19.199) 23.486 2.177 ( -5.578 2.462 3.650) 7.106 2.275 ( -13.455 0.326 -1.301) 13.522 2.618 ( 6.994 8.380 23.060) 25.513 2.711 ( 4.806 1.221 3.941) 6.334 3.072 ( 17.404 6.760 6.447) 19.753 3.461 ( 4.576 19.350 12.415) 23.442 3.824 ( -12.627 9.404 12.174) 19.901 4.210 ( -18.181 3.199 22.952) 29.454 4.386 ( -4.414 8.216 22.842) 24.673 4.901 ( -17.158 10.278 10.134) 22.422 5.448 ( 12.355 3.965 -6.224) 14.391 5.639 ( 6.631 -8.721 -2.974) 11.352 5.931 ( 0.706 1.270 -5.693) 5.875 6.125 ( 11.037 -3.391 1.332) 11.623 6.262 ( 3.453 9.999 1.285) 10.656 6.702 ( -2.428 4.605 8.739) 10.172 7.418 ( 1.950 8.375 1.714) 8.769 7.942 ( -12.291 4.496 6.852) 14.773 8.458 ( 1.115 -6.645 -6.894) 9.640 8.662 ( 0.213 2.238 -6.617) 6.989 9.460 ( 2.174 -4.702 -1.881) 5.511 9.623 ( -0.305 1.198 -6.315) 6.435 10.062 ( 0.678 -4.793 -5.133) 7.055 10.372 ( -3.741 -8.871 -11.467) 14.973 10.954 ( 8.710 1.222 -6.788) 11.111 11.149 ( -3.780 -0.615 -0.489) 3.861 11.541 ( 14.382 -8.737 7.419) 18.390 11.994 ( -7.326 -2.225 -0.472) 7.671 12.211 ( -13.941 7.104 -7.295) 17.264 12.692 ( -11.363 -5.499 -6.281) 14.101 12.866 ( 11.938 -11.752 2.489) 16.935 13.266 ( 3.008 -7.456 -1.551) 8.188 13.547 ( 10.280 5.553 0.282) 11.688 13.857 ( -5.404 3.739 -6.831) 9.479 14.243 ( 10.586 2.061 -6.881) 12.793 14.683 ( -2.970 6.282 -3.978) 8.007 14.901 ( 2.782 1.309 -2.718) 4.104 15.417 ( -8.365 11.297 -9.534) 16.986 15.978 ( 1.468 -9.801 -16.812) 19.515 16.183 ( -6.289 -1.777 -11.705) 13.406 17.654 ( 5.276 -6.396 -7.174) 10.964 17.926 ( -4.658 -5.060 -4.365) 8.146 19.480 ( 0.273 -7.613 -3.370) 8.330 19.692 ( -3.739 -0.873 7.665) 8.573 19.999 ( 7.168 -5.515 0.576) 9.062 20.658 ( -17.443 -20.015 10.046) 28.386 21.023 ( 6.645 2.288 -7.943) 10.606 21.447 ( -8.425 2.116 -4.154) 9.629 21.762 ( 6.098 2.926 3.992) 7.854 22.281 ( -4.107 3.506 10.285) 11.616 22.445 ( 2.443 3.874 13.585) 14.336 22.919 ( -12.612 1.446 11.963) 17.443 23.492 ( 13.125 9.670 4.989) 17.049 23.814 ( 2.290 6.810 4.807) 8.644 24.129 ( -3.383 6.505 11.487) 13.627 24.320 ( -7.479 3.242 13.917) 16.129 26.405 ( 8.916 -10.328 -9.696) 16.739 26.612 ( 8.505 -7.335 -11.179) 15.847 27.540 ( 6.479 -3.668 -5.062) 9.003 27.654 ( 2.152 2.747 5.853) 6.814 28.124 ( 2.313 1.932 4.718) 5.598 28.318 ( -0.741 -0.397 7.309) 7.357 28.420 ( -5.012 -0.742 -0.808) 5.131 28.535 ( -0.764 0.513 -0.836) 1.243 28.999 ( 6.960 3.091 -0.974) 7.678 29.234 ( -2.582 0.762 2.122) 3.427 29.347 ( 4.687 -4.429 6.695) 9.295 29.875 ( -14.953 -9.566 -2.665) 17.951 30.564 ( 14.272 4.907 1.114) 15.133 31.413 ( -9.824 12.831 -7.915) 17.994 ======================= Grid point 117 (42/108) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 4.648 5.408) 7.131 1.913 ( 0.000 8.430 4.364) 9.492 2.021 ( 0.000 2.347 9.061) 9.360 2.022 ( -0.000 1.872 10.227) 10.397 2.733 ( -0.000 2.084 5.947) 6.302 2.739 ( 0.000 3.681 11.719) 12.283 3.365 ( 0.000 11.416 8.120) 14.009 3.564 ( 0.000 18.452 18.085) 25.837 3.661 ( 0.000 0.255 8.497) 8.501 3.885 ( 0.000 6.801 19.750) 20.889 4.479 ( -0.000 11.414 21.194) 24.072 4.525 ( 0.000 12.910 19.746) 23.592 5.608 ( 0.000 -2.583 -4.105) 4.851 5.685 ( 0.000 -1.107 -6.756) 6.846 5.960 ( 0.000 1.422 -1.453) 2.033 6.261 ( 0.000 3.442 2.720) 4.387 6.388 ( 0.000 1.873 2.158) 2.857 6.579 ( 0.000 0.151 6.138) 6.139 7.625 ( -0.000 8.214 0.750) 8.248 7.629 ( 0.000 8.501 2.997) 9.013 8.472 ( 0.000 -4.022 -7.074) 8.137 8.645 ( 0.000 1.103 -3.993) 4.143 9.526 ( 0.000 -4.453 0.196) 4.458 9.577 ( 0.000 0.995 0.077) 0.998 10.096 ( 0.000 -13.998 -15.386) 20.800 10.330 ( 0.000 -6.308 -9.691) 11.563 11.083 ( -0.000 3.360 -5.449) 6.402 11.088 ( 0.000 -1.073 -1.471) 1.821 11.782 ( 0.000 -1.853 -1.455) 2.356 11.796 ( -0.000 -1.892 4.063) 4.482 12.198 ( 0.000 -0.063 -6.679) 6.680 12.394 ( 0.000 0.989 0.232) 1.016 13.121 ( 0.000 -10.187 4.658) 11.201 13.220 ( 0.000 -17.309 -6.766) 18.585 13.690 ( 0.000 0.460 -10.236) 10.246 13.776 ( 0.000 14.958 7.622) 16.787 14.389 ( 0.000 -3.463 -10.031) 10.612 14.635 ( 0.000 2.067 -4.483) 4.936 14.966 ( 0.000 5.083 -12.382) 13.385 15.275 ( 0.000 17.223 0.021) 17.223 15.998 ( 0.000 -9.351 -15.941) 18.481 16.101 ( 0.000 -4.551 -13.629) 14.369 17.777 ( -0.000 -6.619 -6.893) 9.556 17.811 ( 0.000 -5.034 -4.260) 6.594 19.486 ( 0.000 -6.229 0.097) 6.229 19.642 ( 0.000 -0.773 1.765) 1.927 20.154 ( 0.000 -13.659 7.391) 15.530 20.371 ( 0.000 -9.662 8.659) 12.974 21.143 ( 0.000 3.098 -7.164) 7.805 21.304 ( 0.000 6.477 -8.682) 10.832 21.905 ( 0.000 0.949 8.995) 9.045 22.128 ( 0.000 6.434 11.243) 12.954 22.644 ( 0.000 -2.741 12.157) 12.462 22.646 ( -0.000 1.582 13.430) 13.523 23.730 ( 0.000 7.104 7.569) 10.381 23.758 ( -0.000 9.839 3.814) 10.553 24.153 ( 0.000 4.484 10.981) 11.861 24.165 ( -0.000 4.783 12.816) 13.680 26.561 ( 0.000 -11.377 -10.744) 15.648 26.640 ( -0.000 -8.630 -12.100) 14.862 27.635 ( 0.000 -1.275 -1.437) 1.921 27.690 ( 0.000 1.028 3.391) 3.543 28.188 ( 0.000 1.619 4.066) 4.376 28.287 ( 0.000 2.274 3.147) 3.883 28.350 ( 0.000 -3.407 0.873) 3.517 28.527 ( 0.000 -0.213 -2.964) 2.972 29.145 ( -0.000 2.138 0.422) 2.179 29.150 ( 0.000 3.924 -4.261) 5.793 29.458 ( -0.000 -5.596 3.801) 6.764 29.640 ( 0.000 -10.860 3.021) 11.273 30.764 ( 0.000 5.205 0.566) 5.235 31.255 ( -0.000 12.815 -4.517) 13.588 ======================= Grid point 120 (43/108) ======================= q-point: ( 0.00 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 8.131 9.130) 12.226 1.814 ( 0.000 14.481 9.808) 17.490 2.324 ( 0.000 5.174 -0.588) 5.208 2.381 ( 0.000 -5.649 -7.873) 9.690 2.620 ( 0.000 3.924 5.982) 7.154 2.834 ( 0.000 11.061 13.795) 17.682 3.107 ( 0.000 15.991 12.049) 20.023 3.765 ( 0.000 12.731 19.171) 23.013 4.248 ( 0.000 14.994 4.777) 15.737 4.606 ( 0.000 16.032 12.393) 20.264 4.800 ( 0.000 10.915 28.445) 30.467 4.950 ( 0.000 -6.782 -3.933) 7.840 5.450 ( 0.000 -1.394 -2.405) 2.780 5.488 ( 0.000 8.707 5.321) 10.204 5.950 ( 0.000 11.242 7.328) 13.420 6.037 ( 0.000 -0.866 1.239) 1.512 6.320 ( 0.000 4.259 6.782) 8.009 7.007 ( 0.000 20.715 5.582) 21.454 7.688 ( 0.000 17.456 -4.451) 18.015 8.187 ( 0.000 7.046 6.003) 9.257 8.201 ( 0.000 -13.400 -4.788) 14.230 8.625 ( 0.000 -6.659 -3.930) 7.732 9.389 ( 0.000 -2.637 -4.241) 4.994 9.641 ( 0.000 5.828 -13.577) 14.775 10.059 ( 0.000 -0.966 -4.715) 4.813 10.362 ( 0.000 -4.713 -4.310) 6.387 10.615 ( 0.000 -13.211 -1.212) 13.266 11.124 ( 0.000 -8.914 3.126) 9.446 11.241 ( 0.000 -3.885 1.809) 4.285 12.039 ( 0.000 -2.104 -1.983) 2.891 12.142 ( 0.000 -18.180 0.451) 18.186 12.667 ( 0.000 3.657 2.459) 4.406 12.911 ( 0.000 1.103 -7.832) 7.909 13.130 ( 0.000 -0.029 -9.311) 9.311 13.503 ( 0.000 5.971 -1.076) 6.068 13.915 ( 0.000 -0.342 -15.753) 15.757 14.231 ( 0.000 3.706 -6.638) 7.602 14.759 ( 0.000 -3.946 -0.593) 3.990 15.026 ( 0.000 14.633 -5.303) 15.564 15.533 ( 0.000 -6.674 -13.757) 15.291 15.702 ( 0.000 -13.018 -13.569) 18.804 16.332 ( 0.000 5.007 -7.641) 9.135 17.400 ( 0.000 -11.954 -0.273) 11.958 17.830 ( 0.000 -9.805 5.792) 11.388 19.340 ( 0.000 -4.672 -14.410) 15.148 19.690 ( 0.000 -2.853 17.331) 17.564 19.810 ( 0.000 -8.787 -2.465) 9.127 20.363 ( 0.000 -21.651 11.942) 24.726 20.957 ( 0.000 -0.583 -5.069) 5.102 21.515 ( 0.000 3.278 -2.108) 3.897 21.778 ( 0.000 -0.159 -5.459) 5.461 22.179 ( 0.000 -4.886 7.032) 8.562 22.644 ( 0.000 3.636 6.791) 7.703 23.317 ( 0.000 8.669 15.207) 17.504 23.502 ( 0.000 13.614 -4.532) 14.349 23.933 ( 0.000 9.298 5.356) 10.731 24.338 ( 0.000 5.495 11.834) 13.048 24.499 ( 0.000 7.471 9.883) 12.389 26.077 ( 0.000 -8.381 -4.961) 9.739 26.352 ( 0.000 -6.223 -4.102) 7.454 27.391 ( 0.000 -2.237 -4.373) 4.912 27.712 ( 0.000 4.364 5.700) 7.178 28.153 ( 0.000 2.880 4.151) 5.052 28.346 ( 0.000 -1.465 10.079) 10.185 28.445 ( 0.000 -0.458 -1.485) 1.554 28.542 ( 0.000 -0.961 0.821) 1.264 28.953 ( 0.000 0.228 6.328) 6.332 29.231 ( 0.000 0.596 7.874) 7.897 29.247 ( 0.000 -4.642 16.702) 17.335 29.794 ( 0.000 -12.412 -15.005) 19.473 30.655 ( 0.000 17.946 1.705) 18.027 31.728 ( 0.000 6.357 -13.859) 15.247 ======================= Grid point 121 (44/108) ======================= q-point: ( 0.25 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 6.368 6.443 5.951) 10.839 1.900 ( 7.254 11.937 7.907) 16.051 2.227 ( -7.831 0.824 1.087) 7.949 2.298 ( -6.436 3.177 -3.269) 7.887 2.700 ( 5.232 2.178 3.629) 6.730 2.839 ( 0.083 7.424 9.048) 11.704 3.288 ( 14.993 14.177 10.018) 22.938 3.826 ( 5.841 13.926 21.146) 25.985 4.067 ( -15.418 12.330 0.631) 19.752 4.350 ( -18.099 9.970 23.472) 31.272 4.661 ( -0.003 17.775 15.841) 23.810 5.068 ( -2.805 4.943 7.787) 9.641 5.483 ( 4.409 -3.979 -1.789) 6.203 5.615 ( -2.727 7.561 6.113) 10.098 5.918 ( 15.099 0.140 5.377) 16.028 6.198 ( 3.438 9.825 0.328) 10.414 6.366 ( 6.037 3.843 6.351) 9.568 6.917 ( -9.410 17.413 2.481) 19.948 7.702 ( 3.811 17.245 -2.678) 17.863 8.045 ( -9.181 3.358 4.716) 10.854 8.311 ( 4.530 -5.982 -1.380) 7.629 8.653 ( 2.183 -3.523 -8.897) 9.815 9.288 ( -4.635 -10.021 -1.225) 11.109 9.716 ( 0.943 6.871 -5.192) 8.663 9.951 ( -8.720 -5.506 -6.937) 12.429 10.195 ( -2.396 -6.874 -8.777) 11.403 10.899 ( 13.792 -7.670 -1.150) 15.823 11.042 ( -4.955 -9.888 3.175) 11.507 11.431 ( 15.365 -1.914 0.888) 15.509 11.962 ( -3.321 -0.521 1.130) 3.547 12.300 ( -0.282 -4.004 -6.640) 7.759 12.482 ( -1.459 -6.516 0.063) 6.677 12.751 ( -12.228 -1.798 -3.648) 12.886 13.123 ( -3.844 -5.018 -7.294) 9.652 13.633 ( 5.198 1.347 -3.795) 6.575 13.943 ( 6.965 5.877 -13.122) 15.976 14.323 ( 5.031 4.086 -8.880) 10.994 14.696 ( -4.504 -2.571 -1.219) 5.328 15.049 ( 1.077 7.964 -7.635) 11.086 15.529 ( 0.887 -0.740 -8.002) 8.085 15.744 ( 3.162 -11.810 -15.236) 19.535 16.199 ( -10.697 4.381 -6.887) 13.455 17.464 ( 5.525 -11.844 0.754) 13.091 17.769 ( -5.221 -10.077 5.564) 12.639 19.352 ( 1.123 -4.799 -11.070) 12.117 19.653 ( -3.364 -2.524 5.566) 6.976 19.824 ( 2.284 -10.211 5.622) 11.878 20.235 ( -9.577 -18.895 12.250) 24.470 21.078 ( 9.463 1.744 -5.426) 11.047 21.483 ( -4.659 3.230 -3.750) 6.797 21.826 ( 6.423 1.061 -3.532) 7.406 22.220 ( 0.868 -6.123 4.735) 7.789 22.585 ( -2.236 6.372 9.214) 11.424 23.045 ( -16.674 10.312 9.738) 21.891 23.701 ( 11.255 9.903 5.595) 16.001 23.989 ( 3.596 9.807 4.925) 11.549 24.265 ( -4.709 5.424 12.640) 14.538 24.430 ( -5.899 7.853 9.319) 13.539 26.184 ( 7.943 -10.019 -6.242) 14.228 26.424 ( 3.076 -10.103 -6.939) 12.637 27.480 ( 7.734 -2.195 -5.150) 9.548 27.721 ( 0.450 3.407 4.501) 5.663 28.175 ( 2.084 2.234 5.115) 5.958 28.333 ( -0.659 -1.417 7.284) 7.450 28.413 ( -3.774 1.245 1.481) 4.241 28.500 ( -2.193 -1.686 -1.559) 3.175 29.035 ( 6.728 -0.746 5.113) 8.483 29.219 ( -0.360 -2.152 11.392) 11.599 29.274 ( 1.720 -2.857 11.970) 12.425 29.633 ( -12.283 -8.657 -10.032) 18.068 30.826 ( 12.917 16.028 -2.122) 20.694 31.614 ( -9.564 7.115 -11.004) 16.224 ======================= Grid point 122 (45/108) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 2.686 0.877) 2.825 2.031 ( 0.000 2.122 4.475) 4.953 2.109 ( -0.000 6.457 2.385) 6.883 2.148 ( 0.000 10.077 3.055) 10.530 2.781 ( 0.000 2.585 2.514) 3.606 2.823 ( -0.000 3.860 5.570) 6.777 3.646 ( 0.000 14.013 4.930) 14.855 3.693 ( -0.000 6.526 4.295) 7.812 4.008 ( -0.000 19.731 24.272) 31.280 4.044 ( 0.000 8.910 25.105) 26.639 4.762 ( -0.000 11.975 11.817) 16.824 4.887 ( 0.000 21.223 13.804) 25.318 5.549 ( 0.000 -2.957 1.975) 3.557 5.585 ( 0.000 -5.200 0.840) 5.267 6.135 ( 0.000 9.709 3.611) 10.358 6.236 ( 0.000 4.099 11.251) 11.974 6.568 ( 0.000 2.896 -0.664) 2.972 6.661 ( 0.000 18.169 -2.352) 18.321 7.839 ( -0.000 9.921 0.951) 9.966 7.847 ( 0.000 11.989 1.720) 12.112 8.422 ( 0.000 -0.257 -5.274) 5.280 8.591 ( -0.000 -5.777 -2.822) 6.429 9.361 ( -0.000 -11.263 -0.417) 11.270 9.538 ( 0.000 -7.535 -1.765) 7.739 9.919 ( 0.000 0.634 -12.035) 12.051 10.197 ( 0.000 -5.138 -6.976) 8.664 10.973 ( 0.000 -9.797 2.771) 10.181 11.070 ( 0.000 -6.310 -0.024) 6.310 11.772 ( 0.000 0.902 -2.885) 3.022 11.787 ( -0.000 1.653 0.737) 1.810 12.276 ( 0.000 5.574 -5.227) 7.641 12.371 ( 0.000 -1.532 -2.366) 2.819 12.825 ( 0.000 -19.491 -6.968) 20.699 12.924 ( 0.000 -9.660 -0.455) 9.670 13.691 ( 0.000 0.933 -11.692) 11.729 14.078 ( 0.000 13.751 -3.492) 14.188 14.368 ( 0.000 -0.093 -11.016) 11.016 14.635 ( 0.000 -2.140 -5.384) 5.793 15.058 ( 0.000 1.664 -8.882) 9.037 15.558 ( 0.000 6.307 -3.187) 7.066 15.805 ( 0.000 -7.707 -14.742) 16.635 16.021 ( 0.000 0.569 -7.387) 7.409 17.582 ( -0.000 -12.357 2.028) 12.522 17.656 ( 0.000 -9.710 5.036) 10.938 19.371 ( 0.000 -4.893 -6.204) 7.902 19.601 ( 0.000 -2.801 -3.930) 4.826 19.879 ( 0.000 -12.257 10.126) 15.899 20.089 ( 0.000 -14.948 12.202) 19.296 21.256 ( 0.000 7.029 -7.249) 10.097 21.356 ( 0.000 -0.421 -3.642) 3.666 21.991 ( 0.000 4.554 -3.698) 5.866 22.136 ( -0.000 -7.024 4.121) 8.143 22.674 ( 0.000 7.487 10.945) 13.260 22.748 ( -0.000 7.918 11.482) 13.948 23.894 ( 0.000 8.379 9.186) 12.434 23.972 ( -0.000 9.713 5.621) 11.222 24.275 ( -0.000 7.025 9.282) 11.641 24.289 ( 0.000 7.151 10.532) 12.730 26.318 ( 0.000 -11.052 -6.657) 12.903 26.417 ( 0.000 -11.778 -8.238) 14.373 27.609 ( 0.000 -1.727 -4.177) 4.520 27.715 ( 0.000 1.247 2.160) 2.494 28.247 ( 0.000 1.515 5.368) 5.577 28.278 ( 0.000 -3.084 0.646) 3.151 28.358 ( 0.000 4.064 7.529) 8.556 28.479 ( 0.000 -2.216 -3.766) 4.370 29.155 ( -0.000 -1.053 10.865) 10.916 29.211 ( 0.000 -2.717 4.043) 4.871 29.333 ( 0.000 -9.881 6.466) 11.809 29.409 ( 0.000 -0.128 -1.509) 1.515 31.034 ( 0.000 16.551 -6.459) 17.767 31.445 ( 0.000 6.624 -6.558) 9.321 ======================= Grid point 125 (46/108) ======================= q-point: ( 0.00 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 2.458 2.433) 3.459 2.129 ( 0.000 15.213 -0.029) 15.213 2.282 ( 0.000 -4.007 -4.466) 6.000 2.425 ( 0.000 4.635 -1.940) 5.025 2.696 ( 0.000 3.067 2.891) 4.215 2.953 ( 0.000 1.020 -0.624) 1.196 3.513 ( 0.000 22.472 13.761) 26.351 3.950 ( 0.000 6.604 21.292) 22.292 4.528 ( 0.000 10.834 -1.756) 10.975 4.669 ( 0.000 -6.667 5.332) 8.536 5.006 ( 0.000 10.127 26.561) 28.427 5.052 ( 0.000 9.754 5.963) 11.432 5.474 ( 0.000 0.813 0.086) 0.818 5.554 ( 0.000 1.859 6.486) 6.747 5.997 ( 0.000 2.053 11.633) 11.812 6.270 ( 0.000 13.899 12.159) 18.467 6.543 ( 0.000 16.860 0.387) 16.864 7.523 ( 0.000 26.119 4.360) 26.481 7.888 ( 0.000 -14.324 -0.530) 14.333 7.999 ( 0.000 11.213 -9.295) 14.564 8.402 ( 0.000 13.022 2.079) 13.187 8.452 ( 0.000 -7.135 0.305) 7.142 9.349 ( 0.000 0.064 -2.296) 2.297 9.801 ( 0.000 4.855 -14.461) 15.254 10.036 ( 0.000 -1.852 -2.757) 3.322 10.267 ( 0.000 -3.552 -2.891) 4.580 10.385 ( 0.000 -5.560 0.476) 5.580 10.845 ( 0.000 -17.688 5.140) 18.420 11.119 ( 0.000 -8.746 -3.172) 9.303 11.838 ( 0.000 -10.890 -3.888) 11.563 12.043 ( 0.000 1.803 5.517) 5.804 12.709 ( 0.000 1.573 4.552) 4.817 12.876 ( 0.000 -5.136 -3.009) 5.952 13.251 ( 0.000 10.148 -16.293) 19.195 13.560 ( 0.000 1.569 -5.209) 5.440 13.936 ( 0.000 0.879 -20.607) 20.626 14.221 ( 0.000 -4.521 -8.447) 9.581 14.707 ( 0.000 -1.496 -10.891) 10.993 15.179 ( 0.000 -3.580 -14.326) 14.766 15.310 ( 0.000 -13.516 -14.634) 19.920 15.577 ( 0.000 5.281 -0.982) 5.371 16.436 ( 0.000 4.690 -0.105) 4.691 17.136 ( 0.000 -13.224 8.267) 15.596 17.602 ( 0.000 -11.733 15.971) 19.818 19.281 ( 0.000 -1.093 -20.057) 20.087 19.631 ( 0.000 -7.835 0.691) 7.865 19.635 ( 0.000 -2.448 15.715) 15.904 20.022 ( 0.000 -12.363 9.743) 15.741 20.968 ( 0.000 2.541 -4.407) 5.087 21.568 ( 0.000 -0.055 -1.646) 1.647 21.756 ( 0.000 -1.697 -5.197) 5.468 22.085 ( 0.000 -3.385 -3.057) 4.561 22.690 ( 0.000 1.421 9.313) 9.421 23.456 ( 0.000 4.925 17.136) 17.829 23.759 ( 0.000 11.047 -4.048) 11.765 24.121 ( 0.000 8.654 5.312) 10.154 24.391 ( 0.000 0.481 12.043) 12.052 24.704 ( 0.000 11.053 3.254) 11.522 25.947 ( 0.000 -4.156 -3.417) 5.380 26.212 ( 0.000 -7.190 -3.211) 7.874 27.383 ( 0.000 1.350 -4.184) 4.396 27.787 ( 0.000 2.845 4.055) 4.954 28.170 ( 0.000 -14.139 1.406) 14.209 28.194 ( 0.000 0.893 2.169) 2.346 28.471 ( 0.000 2.816 2.223) 3.588 28.598 ( 0.000 5.038 5.678) 7.591 28.931 ( 0.000 -1.515 10.398) 10.507 29.119 ( 0.000 -6.395 20.579) 21.549 29.289 ( 0.000 4.000 6.375) 7.526 29.648 ( 0.000 -3.246 -7.359) 8.043 30.980 ( 0.000 13.438 -3.006) 13.770 31.821 ( 0.000 3.239 -13.368) 13.755 ======================= Grid point 126 (47/108) ======================= q-point: ( 0.25 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 3.877 1.734 1.860) 4.637 2.141 ( -1.298 7.484 -1.025) 7.665 2.234 ( -1.269 3.761 -1.614) 4.285 2.396 ( -2.583 5.474 -1.338) 6.199 2.746 ( 4.011 1.802 1.690) 4.711 2.925 ( -2.420 0.756 -0.744) 2.643 3.631 ( 9.699 18.480 10.877) 23.535 4.033 ( 7.258 6.917 22.059) 24.231 4.252 ( -17.193 5.945 0.292) 18.194 4.571 ( -10.482 9.967 18.031) 23.115 4.917 ( -4.312 5.799 8.763) 11.359 5.194 ( 7.840 7.764 14.171) 17.960 5.439 ( 3.359 0.037 3.431) 4.802 5.729 ( -10.094 6.727 0.237) 12.133 5.944 ( 16.214 -0.799 13.003) 20.799 6.381 ( 3.405 7.980 9.740) 13.044 6.638 ( 8.666 19.999 -1.730) 21.864 7.378 ( -12.983 24.320 -1.422) 27.605 7.909 ( 5.240 -5.460 5.689) 9.468 8.054 ( -1.280 10.171 -2.960) 10.670 8.349 ( -1.009 5.121 3.363) 6.209 8.536 ( 6.904 -4.624 -8.054) 11.572 9.154 ( -11.775 -1.812 -0.456) 11.923 9.744 ( -18.864 -4.626 -2.948) 19.645 9.960 ( 3.766 4.391 -9.882) 11.451 10.117 ( 0.260 -0.473 -3.402) 3.444 10.671 ( 9.632 -13.519 0.369) 16.603 10.809 ( 1.227 -10.770 4.748) 11.834 11.385 ( 19.296 -3.999 -2.631) 19.881 11.941 ( 3.446 -4.268 0.018) 5.486 12.094 ( 8.672 -6.681 -3.210) 11.408 12.498 ( -12.893 2.162 3.590) 13.557 12.718 ( -13.240 -3.291 -2.606) 13.889 13.084 ( -15.332 2.529 -15.733) 22.113 13.668 ( 6.171 3.181 -7.750) 10.405 14.022 ( 11.108 0.214 -14.665) 18.398 14.369 ( 7.662 -0.555 -12.924) 15.035 14.623 ( -7.195 -3.924 -10.832) 13.583 15.070 ( -5.408 -5.705 -9.988) 12.710 15.423 ( 5.811 -10.566 -16.260) 20.244 15.638 ( 5.535 5.083 -2.375) 7.881 16.322 ( -9.447 6.155 1.169) 11.336 17.200 ( 5.426 -13.178 10.093) 17.464 17.543 ( -4.996 -11.289 15.553) 19.857 19.284 ( 0.402 -1.796 -16.908) 17.008 19.572 ( -4.043 -6.210 -5.262) 9.088 19.666 ( 2.248 -3.827 15.423) 16.049 19.935 ( -6.251 -10.482 11.247) 16.597 21.111 ( 11.129 2.091 -3.726) 11.921 21.561 ( -4.675 3.753 -3.848) 7.124 21.766 ( 5.361 -6.636 -2.275) 8.829 22.114 ( -0.247 -3.823 -4.247) 5.720 22.692 ( 2.760 4.543 9.612) 10.984 23.254 ( -15.488 8.801 9.001) 19.959 23.877 ( 8.540 7.305 5.563) 12.539 24.186 ( 3.470 8.854 4.907) 10.701 24.331 ( -3.083 1.430 12.258) 12.720 24.621 ( -7.082 9.946 4.485) 13.007 26.027 ( 6.336 -5.253 -3.769) 9.052 26.233 ( 0.506 -8.234 -4.359) 9.331 27.448 ( 5.763 -0.835 -4.721) 7.496 27.770 ( -2.114 0.671 2.506) 3.347 28.152 ( -0.380 -8.876 2.071) 9.122 28.211 ( 0.447 -3.439 -0.353) 3.486 28.468 ( -0.328 3.917 4.670) 6.104 28.561 ( -2.461 5.410 4.819) 7.651 28.980 ( 3.474 -3.262 11.734) 12.664 29.119 ( 0.173 -4.608 18.077) 18.656 29.303 ( 1.390 3.256 6.575) 7.467 29.548 ( -7.737 -1.358 -4.364) 8.987 31.122 ( 11.563 12.284 -5.394) 17.711 31.724 ( -8.452 4.152 -11.846) 15.133 ======================= Grid point 127 (48/108) ======================= q-point: (-0.50 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 0.580 -0.855) 1.033 2.057 ( 0.000 0.563 2.211) 2.282 2.270 ( 0.000 8.636 -3.015) 9.147 2.342 ( 0.000 8.514 0.951) 8.567 2.822 ( 0.000 0.938 0.298) 0.984 2.869 ( -0.000 0.240 -0.601) 0.647 3.883 ( 0.000 11.232 6.036) 12.751 3.895 ( -0.000 10.503 5.867) 12.030 4.225 ( -0.000 7.714 24.080) 25.286 4.355 ( 0.000 12.778 20.421) 24.089 4.880 ( 0.000 2.715 8.401) 8.829 5.275 ( 0.000 13.922 10.953) 17.714 5.503 ( 0.000 -0.361 4.236) 4.252 5.580 ( 0.000 6.572 1.884) 6.837 6.165 ( 0.000 -4.884 11.076) 12.105 6.417 ( 0.000 7.603 10.497) 12.961 6.826 ( 0.000 18.325 -9.678) 20.724 7.119 ( 0.000 26.295 0.173) 26.295 7.950 ( 0.000 1.681 0.449) 1.740 8.056 ( 0.000 8.748 8.312) 12.067 8.472 ( 0.000 -4.470 -4.201) 6.134 8.478 ( -0.000 4.494 -1.884) 4.873 9.145 ( -0.000 -7.308 -2.201) 7.632 9.366 ( 0.000 -5.909 -2.695) 6.495 10.041 ( 0.000 6.866 -7.231) 9.971 10.121 ( 0.000 -3.694 -2.796) 4.633 10.740 ( 0.000 -11.387 3.531) 11.922 10.869 ( 0.000 -10.996 1.654) 11.119 11.774 ( 0.000 -1.234 -3.523) 3.733 11.831 ( -0.000 1.169 -3.186) 3.394 12.280 ( -0.000 -8.823 6.439) 10.922 12.349 ( 0.000 -2.597 1.686) 3.096 12.582 ( -0.000 0.349 -15.407) 15.411 12.765 ( 0.000 -3.798 -10.316) 10.993 13.745 ( 0.000 4.293 -11.398) 12.179 14.296 ( -0.000 5.925 -9.179) 10.926 14.333 ( 0.000 -3.997 -12.764) 13.375 14.536 ( 0.000 -6.923 -15.619) 17.084 15.010 ( 0.000 -4.988 -7.302) 8.843 15.489 ( 0.000 -8.976 -14.937) 17.427 15.745 ( 0.000 2.149 -5.808) 6.193 16.164 ( 0.000 9.167 3.783) 9.917 17.300 ( 0.000 -14.076 13.133) 19.251 17.449 ( 0.000 -9.936 13.855) 17.050 19.293 ( 0.000 -2.585 -12.239) 12.509 19.515 ( 0.000 -5.971 -12.846) 14.166 19.708 ( 0.000 -4.006 15.128) 15.650 19.843 ( 0.000 -8.662 13.104) 15.708 21.335 ( 0.000 -0.932 -1.478) 1.748 21.400 ( -0.000 6.502 -6.580) 9.251 21.928 ( 0.000 -11.044 1.275) 11.118 22.027 ( -0.000 -1.054 -6.004) 6.096 22.873 ( -0.000 9.946 7.792) 12.635 22.923 ( 0.000 8.109 7.527) 11.064 24.047 ( 0.000 6.096 9.828) 11.566 24.117 ( -0.000 4.304 8.692) 9.699 24.425 ( -0.000 7.547 6.918) 10.238 24.446 ( 0.000 7.970 6.144) 10.064 26.141 ( 0.000 -6.264 -3.915) 7.387 26.205 ( 0.000 -8.456 -5.100) 9.875 27.555 ( 0.000 -3.390 -4.760) 5.844 27.714 ( -0.000 -2.277 0.112) 2.280 28.161 ( -0.000 -7.116 -0.194) 7.119 28.204 ( 0.000 -3.748 0.203) 3.753 28.463 ( 0.000 5.521 9.036) 10.589 28.530 ( 0.000 5.384 1.926) 5.718 29.027 ( 0.000 -6.842 15.463) 16.909 29.125 ( 0.000 -1.617 13.896) 13.990 29.347 ( 0.000 3.176 3.452) 4.691 29.414 ( -0.000 0.304 1.106) 1.148 31.337 ( 0.000 12.412 -9.527) 15.647 31.550 ( 0.000 4.021 -8.305) 9.228 ======================= Grid point 130 (49/108) ======================= q-point: ( 0.00 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 0.719 1.668) 1.816 2.219 ( 0.000 -2.177 -2.266) 3.143 2.395 ( 0.000 10.403 -2.450) 10.688 2.510 ( 0.000 3.482 -1.594) 3.830 2.730 ( 0.000 0.133 -2.086) 2.091 2.916 ( 0.000 -3.419 -6.351) 7.213 3.921 ( 0.000 14.927 9.085) 17.474 4.041 ( 0.000 2.285 9.752) 10.017 4.558 ( 0.000 -3.288 18.119) 18.415 4.683 ( 0.000 5.991 1.430) 6.159 5.170 ( 0.000 2.982 10.369) 10.789 5.231 ( 0.000 10.939 24.455) 26.791 5.420 ( 0.000 -3.951 8.525) 9.396 5.591 ( 0.000 0.847 6.813) 6.865 6.125 ( 0.000 6.856 -0.211) 6.859 6.438 ( 0.000 3.708 11.311) 11.903 6.905 ( 0.000 15.161 -2.636) 15.388 7.417 ( 0.000 -18.249 3.443) 18.571 8.132 ( 0.000 14.250 -0.513) 14.259 8.201 ( 0.000 10.336 -11.199) 15.240 8.508 ( 0.000 17.416 8.492) 19.376 8.581 ( 0.000 2.220 -2.594) 3.415 9.433 ( 0.000 8.176 4.340) 9.256 9.680 ( 0.000 -13.711 -4.008) 14.285 9.994 ( 0.000 -1.593 0.408) 1.645 10.220 ( 0.000 -2.846 -2.095) 3.534 10.425 ( 0.000 2.337 -14.407) 14.596 10.466 ( 0.000 -16.658 7.281) 18.179 10.974 ( 0.000 -0.956 -1.908) 2.134 11.679 ( 0.000 -5.992 -6.953) 9.179 12.084 ( 0.000 1.838 8.315) 8.515 12.720 ( 0.000 -8.566 0.951) 8.618 12.745 ( 0.000 1.785 2.724) 3.256 13.496 ( 0.000 13.234 -15.703) 20.536 13.620 ( 0.000 4.453 -12.420) 13.194 13.908 ( 0.000 -3.713 -18.126) 18.502 14.059 ( 0.000 -10.877 -8.882) 14.042 14.696 ( 0.000 0.508 -18.559) 18.566 15.031 ( 0.000 -6.775 -21.703) 22.736 15.041 ( 0.000 -11.737 -18.133) 21.600 15.779 ( 0.000 10.092 5.927) 11.704 16.517 ( 0.000 3.228 10.289) 10.784 16.894 ( 0.000 -9.659 14.268) 17.230 17.391 ( 0.000 -8.184 18.097) 19.861 19.295 ( 0.000 2.399 -18.351) 18.507 19.492 ( 0.000 -6.120 -5.660) 8.336 19.595 ( 0.000 -1.375 14.295) 14.360 19.847 ( 0.000 -5.132 11.307) 12.417 21.057 ( 0.000 5.468 -3.647) 6.573 21.501 ( 0.000 -5.388 0.401) 5.402 21.721 ( 0.000 -1.454 -6.196) 6.365 22.049 ( 0.000 -0.614 -10.361) 10.379 22.712 ( 0.000 0.742 11.558) 11.582 23.524 ( 0.000 1.944 18.336) 18.439 23.943 ( 0.000 6.938 -2.247) 7.293 24.266 ( 0.000 5.197 4.974) 7.194 24.373 ( 0.000 -1.843 11.606) 11.752 24.901 ( 0.000 7.433 -0.596) 7.457 25.906 ( 0.000 -0.052 -2.445) 2.445 26.075 ( 0.000 -5.839 -2.807) 6.479 27.444 ( 0.000 4.668 -3.167) 5.641 27.828 ( 0.000 1.209 3.024) 3.257 27.862 ( 0.000 -14.549 -2.852) 14.826 28.197 ( 0.000 -0.211 -0.023) 0.212 28.533 ( 0.000 2.551 5.642) 6.192 28.693 ( 0.000 3.690 6.258) 7.265 28.910 ( 0.000 -0.547 11.416) 11.429 29.017 ( 0.000 -3.551 21.427) 21.719 29.363 ( 0.000 2.840 6.488) 7.083 29.618 ( 0.000 -0.348 -0.610) 0.702 31.188 ( 0.000 6.886 -5.370) 8.733 31.869 ( 0.000 1.558 -12.811) 12.905 ======================= Grid point 131 (50/108) ======================= q-point: ( 0.25 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.465 0.805 1.277) 3.780 2.157 ( -5.004 -1.073 -1.275) 5.274 2.414 ( 1.386 8.840 -2.932) 9.416 2.499 ( -0.839 4.220 -0.811) 4.379 2.756 ( 2.323 -0.804 -2.517) 3.518 2.889 ( -2.377 -3.355 -5.731) 7.054 3.967 ( 4.245 12.358 8.730) 15.714 4.101 ( 5.076 1.022 11.650) 12.748 4.362 ( -10.165 4.611 10.103) 15.055 4.659 ( -10.118 -0.601 12.191) 15.854 5.071 ( -2.178 10.562 15.814) 19.141 5.320 ( 7.484 4.638 16.129) 18.376 5.499 ( 6.267 5.198 10.205) 13.055 5.763 ( 6.872 -5.339 2.685) 9.107 6.012 ( -3.988 8.140 2.023) 9.288 6.450 ( -0.327 -1.290 8.434) 8.538 7.020 ( 7.288 14.743 -5.601) 17.374 7.444 ( 1.220 -12.329 3.398) 12.847 8.095 ( -0.853 12.584 -1.097) 12.660 8.238 ( 0.558 6.926 -2.597) 7.418 8.483 ( -0.637 16.190 -0.382) 16.207 8.556 ( -0.539 4.466 -0.316) 4.510 9.214 ( -11.573 6.685 3.936) 13.932 9.676 ( -21.737 -3.050 -1.245) 21.986 9.837 ( 6.430 -12.227 -1.054) 13.855 10.156 ( -5.142 -3.800 0.380) 6.406 10.400 ( 8.748 -9.091 -0.188) 12.618 10.701 ( 7.347 -0.513 -3.467) 8.140 11.301 ( 23.128 -1.684 -2.173) 23.291 11.809 ( 10.803 -6.131 -7.733) 14.632 12.069 ( -1.202 1.014 4.656) 4.914 12.457 ( -17.037 -6.660 1.650) 18.367 12.679 ( -6.326 1.429 0.914) 6.549 13.199 ( -21.465 6.600 -18.270) 28.950 13.778 ( 7.912 7.832 -11.835) 16.248 13.957 ( 9.455 -4.946 -11.369) 15.592 14.248 ( 8.652 -10.846 -14.455) 20.036 14.566 ( -10.635 -2.475 -16.567) 19.842 14.957 ( -0.249 -2.256 -18.367) 18.506 15.205 ( 7.323 -9.564 -22.560) 25.575 15.814 ( 3.112 9.499 6.828) 12.105 16.397 ( -9.181 0.256 10.594) 14.021 16.982 ( 6.603 -6.783 15.896) 18.502 17.342 ( -4.154 -7.841 18.117) 20.173 19.282 ( -0.845 1.530 -16.702) 16.793 19.442 ( -3.544 -5.824 -8.882) 11.197 19.628 ( 2.487 -0.910 13.407) 13.666 19.796 ( -3.936 -3.795 12.080) 13.260 21.169 ( 9.005 3.455 -3.192) 10.159 21.584 ( 2.977 -5.426 -0.381) 6.201 21.650 ( -1.734 0.411 -5.555) 5.834 22.051 ( -2.096 -2.549 -8.114) 8.760 22.768 ( 7.090 2.720 9.515) 12.174 23.384 ( -12.652 4.056 11.107) 17.318 23.997 ( 5.120 4.442 4.889) 8.357 24.299 ( -4.929 0.533 9.755) 10.943 24.366 ( 7.128 3.757 6.507) 10.357 24.799 ( -8.598 6.745 1.135) 10.987 25.966 ( 4.805 -0.955 -2.697) 5.592 26.096 ( 0.876 -5.206 -3.315) 6.234 27.455 ( 1.384 1.850 -3.259) 3.995 27.705 ( -6.300 -7.443 -0.283) 9.755 27.981 ( 5.963 -4.223 -0.678) 7.338 28.181 ( -1.695 -0.971 -0.630) 2.053 28.544 ( 0.888 2.915 6.789) 7.441 28.651 ( -2.834 2.840 6.609) 7.731 28.948 ( 2.369 0.411 14.033) 14.237 29.048 ( 2.600 -2.860 17.428) 17.851 29.363 ( 0.364 2.279 6.711) 7.097 29.540 ( -6.198 0.132 1.103) 6.297 31.311 ( 10.228 6.206 -7.029) 13.875 31.788 ( -7.251 2.136 -11.981) 14.166 ======================= Grid point 132 (51/108) ======================= q-point: (-0.50 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 1.175 -0.387) 1.237 2.055 ( -0.000 -0.670 0.907) 1.128 2.435 ( 0.000 7.195 -4.047) 8.255 2.485 ( 0.000 5.321 0.667) 5.363 2.810 ( 0.000 -1.813 -2.823) 3.355 2.833 ( 0.000 -3.236 -5.289) 6.200 4.088 ( 0.000 8.819 7.070) 11.303 4.105 ( 0.000 9.653 8.914) 13.140 4.315 ( -0.000 0.838 18.827) 18.846 4.425 ( 0.000 -4.839 11.792) 12.747 5.066 ( 0.000 15.797 16.035) 22.509 5.458 ( 0.000 4.876 19.553) 20.152 5.560 ( 0.000 5.519 2.514) 6.065 5.757 ( 0.000 4.702 -1.724) 5.008 6.061 ( 0.000 -1.234 6.841) 6.951 6.428 ( 0.000 -6.153 7.855) 9.978 7.115 ( 0.000 9.188 -8.450) 12.483 7.435 ( 0.000 -1.056 0.693) 1.263 8.106 ( 0.000 14.107 -0.219) 14.108 8.239 ( 0.000 5.865 3.263) 6.712 8.475 ( 0.000 8.609 -0.136) 8.610 8.565 ( 0.000 6.536 -5.060) 8.266 9.131 ( -0.000 5.396 3.601) 6.487 9.323 ( 0.000 0.330 3.065) 3.083 9.967 ( 0.000 -11.949 2.519) 12.212 10.027 ( -0.000 -10.543 -2.169) 10.764 10.607 ( 0.000 -0.248 -0.894) 0.928 10.710 ( 0.000 -4.069 -0.992) 4.189 11.759 ( 0.000 1.049 -5.498) 5.598 11.814 ( -0.000 -1.285 -0.556) 1.400 12.098 ( 0.000 -6.633 -1.477) 6.795 12.204 ( 0.000 -10.155 5.604) 11.599 12.693 ( 0.000 7.178 -9.627) 12.008 12.792 ( 0.000 3.742 -14.214) 14.698 13.866 ( 0.000 7.650 -13.058) 15.134 14.227 ( -0.000 -4.751 -12.182) 13.075 14.236 ( 0.000 -9.146 -8.367) 12.395 14.402 ( 0.000 -8.253 -20.316) 21.928 14.970 ( 0.000 3.220 -19.412) 19.677 15.295 ( 0.000 -9.459 -22.907) 24.783 15.872 ( 0.000 9.531 8.514) 12.780 16.255 ( 0.000 -2.080 10.899) 11.095 17.090 ( 0.000 -4.531 18.124) 18.682 17.264 ( -0.000 -8.221 17.425) 19.266 19.273 ( 0.000 0.570 -14.259) 14.271 19.394 ( 0.000 -5.206 -13.385) 14.362 19.677 ( 0.000 -0.100 13.260) 13.260 19.727 ( -0.000 -3.321 12.701) 13.128 21.337 ( 0.000 1.414 -2.106) 2.537 21.476 ( 0.000 -0.717 -5.641) 5.686 21.776 ( 0.000 -1.559 -1.109) 1.914 21.962 ( -0.000 -4.894 -5.147) 7.102 23.035 ( -0.000 5.549 6.867) 8.829 23.051 ( 0.000 4.316 6.459) 7.768 24.131 ( 0.000 2.359 10.322) 10.588 24.160 ( 0.000 0.565 10.095) 10.111 24.568 ( -0.000 5.845 4.163) 7.176 24.588 ( 0.000 5.219 3.342) 6.197 26.057 ( 0.000 -2.309 -2.969) 3.761 26.081 ( 0.000 -3.891 -3.626) 5.318 27.492 ( 0.000 -2.048 -3.353) 3.929 27.610 ( -0.000 -6.814 -1.160) 6.913 28.074 ( 0.000 -1.093 -1.319) 1.713 28.136 ( 0.000 -2.870 -0.857) 2.996 28.559 ( -0.000 3.689 9.275) 9.982 28.611 ( 0.000 1.825 5.458) 5.755 28.977 ( 0.000 1.195 16.048) 16.092 29.088 ( 0.000 -2.211 14.428) 14.596 29.400 ( 0.000 1.881 5.139) 5.473 29.420 ( -0.000 0.320 4.239) 4.251 31.529 ( 0.000 6.571 -10.190) 12.125 31.609 ( 0.000 1.724 -9.529) 9.684 ======================= Grid point 135 (52/108) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 0.000 1.989) 1.989 2.196 ( 0.000 0.000 -1.587) 1.587 2.527 ( 0.000 0.000 0.732) 0.732 2.537 ( 0.000 -0.000 -2.433) 2.433 2.720 ( 0.000 0.000 -6.088) 6.088 2.869 ( 0.000 0.000 -8.122) 8.122 4.059 ( 0.000 0.000 2.498) 2.498 4.069 ( 0.000 0.000 4.982) 4.982 4.529 ( 0.000 0.000 24.914) 24.914 4.766 ( 0.000 0.000 5.918) 5.918 5.198 ( 0.000 0.000 13.645) 13.645 5.368 ( 0.000 0.000 27.985) 27.985 5.375 ( 0.000 0.000 10.538) 10.538 5.582 ( 0.000 0.000 1.151) 1.151 6.200 ( 0.000 0.000 -4.225) 4.225 6.475 ( 0.000 0.000 11.741) 11.741 7.065 ( 0.000 0.000 -5.256) 5.256 7.194 ( 0.000 0.000 3.079) 3.079 8.239 ( 0.000 0.000 2.857) 2.857 8.370 ( 0.000 0.000 -20.525) 20.525 8.541 ( 0.000 -0.000 3.352) 3.352 8.837 ( 0.000 0.000 7.522) 7.522 9.457 ( 0.000 0.000 1.988) 1.988 9.577 ( 0.000 0.000 8.709) 8.709 9.963 ( 0.000 0.000 5.744) 5.744 10.128 ( 0.000 0.000 -1.791) 1.791 10.317 ( 0.000 0.000 4.342) 4.342 10.400 ( 0.000 0.000 -23.932) 23.932 11.036 ( 0.000 0.000 2.220) 2.220 11.598 ( 0.000 0.000 -9.814) 9.814 12.105 ( 0.000 0.000 8.529) 8.529 12.616 ( 0.000 0.000 2.444) 2.444 12.766 ( 0.000 0.000 2.117) 2.117 13.696 ( 0.000 0.000 -20.094) 20.094 13.725 ( 0.000 0.000 -16.935) 16.935 13.837 ( 0.000 0.000 -10.848) 10.848 13.852 ( 0.000 -0.000 -7.352) 7.352 14.715 ( 0.000 0.000 -18.501) 18.501 14.898 ( 0.000 0.000 -22.135) 22.135 14.960 ( 0.000 0.000 -24.311) 24.311 15.895 ( 0.000 0.000 7.093) 7.093 16.555 ( 0.000 0.000 15.984) 15.984 16.786 ( 0.000 0.000 16.439) 16.439 17.301 ( 0.000 0.000 16.462) 16.462 19.356 ( 0.000 0.000 -8.395) 8.395 19.395 ( 0.000 -0.000 -17.839) 17.839 19.581 ( 0.000 0.000 13.755) 13.755 19.798 ( 0.000 0.000 12.778) 12.778 21.134 ( 0.000 0.000 -2.677) 2.677 21.423 ( 0.000 0.000 -0.213) 0.213 21.705 ( 0.000 0.000 -6.765) 6.765 22.044 ( 0.000 0.000 -11.912) 11.912 22.720 ( 0.000 0.000 12.490) 12.490 23.542 ( 0.000 0.000 18.725) 18.725 24.021 ( 0.000 0.000 -2.241) 2.241 24.321 ( 0.000 0.000 4.773) 4.773 24.346 ( 0.000 0.000 12.165) 12.165 24.980 ( 0.000 0.000 -1.929) 1.929 25.920 ( 0.000 0.000 -2.079) 2.079 26.002 ( 0.000 0.000 -2.759) 2.759 27.545 ( 0.000 0.000 0.598) 0.598 27.654 ( 0.000 0.000 -7.078) 7.078 27.840 ( 0.000 0.000 2.700) 2.700 28.194 ( 0.000 0.000 -0.632) 0.632 28.560 ( 0.000 0.000 6.708) 6.708 28.733 ( 0.000 0.000 5.346) 5.346 28.905 ( 0.000 0.000 11.573) 11.573 28.979 ( 0.000 0.000 22.564) 22.564 29.393 ( 0.000 0.000 6.604) 6.604 29.617 ( 0.000 0.000 1.337) 1.337 31.258 ( 0.000 0.000 -6.055) 6.055 31.885 ( 0.000 0.000 -12.583) 12.583 ======================= Grid point 137 (53/108) ======================= q-point: ( 0.25 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 3.602 0.000 1.529) 3.913 2.144 ( -4.401 0.000 -0.968) 4.507 2.531 ( 0.214 0.000 0.312) 0.378 2.536 ( -0.103 -0.000 -2.026) 2.029 2.737 ( 1.542 0.000 -6.039) 6.233 2.841 ( -2.380 0.000 -7.389) 7.762 4.059 ( 4.417 0.000 9.638) 10.602 4.150 ( 4.235 0.000 2.830) 5.093 4.400 ( -8.298 0.000 15.042) 17.179 4.646 ( -14.699 0.000 14.696) 20.785 5.231 ( 7.683 0.000 14.676) 16.566 5.365 ( 2.510 0.000 20.806) 20.957 5.588 ( 12.639 0.000 12.865) 18.035 5.650 ( 2.697 0.000 0.508) 2.744 6.127 ( -4.086 0.000 -2.476) 4.778 6.403 ( -5.447 0.000 8.351) 9.970 7.223 ( 8.674 0.000 -4.883) 9.954 7.233 ( 2.862 -0.000 1.651) 3.304 8.137 ( -2.448 0.000 -2.222) 3.306 8.455 ( -7.515 0.001 -1.714) 7.708 8.456 ( 6.322 -0.001 -9.521) 11.429 8.881 ( 1.280 0.000 6.380) 6.507 9.386 ( -15.320 0.000 7.627) 17.114 9.409 ( -3.583 -0.000 1.910) 4.060 9.848 ( -8.169 0.000 -4.430) 9.293 9.945 ( -8.110 -0.000 9.710) 12.652 10.354 ( 11.714 0.000 -1.305) 11.786 10.700 ( 8.933 0.000 -9.760) 13.231 11.321 ( 21.449 0.000 1.537) 21.504 11.727 ( 11.768 0.000 -12.024) 16.824 12.090 ( -1.415 0.000 6.500) 6.652 12.359 ( -19.436 0.000 0.197) 19.437 12.708 ( -3.804 0.000 1.928) 4.265 13.277 ( -23.406 0.000 -17.909) 29.472 13.894 ( 9.368 0.000 -8.628) 12.736 13.959 ( 7.614 0.000 -17.275) 18.879 14.026 ( 7.856 -0.000 -12.792) 15.011 14.525 ( -13.233 0.000 -15.216) 20.165 14.978 ( 6.778 0.000 -22.514) 23.512 15.074 ( 5.632 0.000 -26.683) 27.271 15.935 ( 4.145 0.000 9.471) 10.338 16.369 ( -12.865 0.000 16.429) 20.867 16.928 ( 9.180 0.000 17.025) 19.342 17.254 ( -4.374 0.000 17.050) 17.602 19.332 ( -1.763 0.000 -10.407) 10.556 19.350 ( -2.922 0.000 -15.798) 16.066 19.619 ( 2.812 0.000 12.245) 12.564 19.760 ( -3.088 0.000 12.710) 13.080 21.218 ( 7.146 0.000 -2.915) 7.717 21.498 ( 3.027 0.000 -1.222) 3.264 21.671 ( 0.395 0.000 -5.559) 5.573 22.021 ( -3.932 0.000 -8.527) 9.389 22.796 ( 8.579 0.000 9.507) 12.806 23.424 ( -11.397 0.000 12.126) 16.641 24.046 ( 3.178 0.000 4.114) 5.198 24.288 ( -4.962 0.000 12.011) 12.995 24.415 ( 8.216 0.000 4.371) 9.306 24.871 ( -9.181 0.000 -0.105) 9.182 25.966 ( 3.710 0.000 -2.461) 4.452 26.034 ( 1.967 0.000 -3.072) 3.647 27.523 ( -1.752 0.000 -0.166) 1.760 27.561 ( -5.064 -0.000 -3.883) 6.381 27.951 ( 7.046 0.000 -0.329) 7.053 28.170 ( -2.348 0.000 -1.084) 2.586 28.574 ( 1.225 0.000 7.311) 7.412 28.677 ( -3.639 0.000 7.297) 8.154 28.972 ( 4.379 0.000 11.121) 11.952 29.004 ( 1.960 0.000 20.328) 20.422 29.387 ( -0.131 0.000 6.891) 6.892 29.543 ( -5.883 0.000 2.697) 6.471 31.374 ( 9.676 0.000 -7.505) 12.245 31.810 ( -6.755 0.000 -11.940) 13.719 ======================= Grid point 139 (54/108) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -4.808 -0.728 0.337) 4.874 2.032 ( 4.808 0.728 0.337) 4.874 2.534 ( -0.003 -1.426 -0.840) 1.655 2.534 ( 0.003 1.426 -0.840) 1.655 2.783 ( -2.507 -0.119 -6.303) 6.784 2.783 ( 2.507 0.119 -6.303) 6.784 4.237 ( -7.399 -0.143 5.002) 8.932 4.237 ( 7.399 0.143 5.002) 8.932 4.294 ( -12.700 -0.946 17.318) 21.496 4.294 ( 12.700 0.946 17.318) 21.496 5.390 ( -0.344 -12.375 19.421) 23.031 5.390 ( 0.344 12.375 19.421) 23.032 5.690 ( -0.368 -6.468 0.760) 6.523 5.690 ( 0.368 6.468 0.760) 6.523 6.218 ( -4.624 -11.357 5.610) 13.485 6.218 ( 4.624 11.357 5.610) 13.485 7.284 ( -0.102 -9.018 -1.873) 9.211 7.284 ( 0.102 9.018 -1.873) 9.211 8.253 ( -9.520 -0.660 -8.643) 12.876 8.253 ( 9.520 0.660 -8.643) 12.876 8.687 ( -14.373 -0.997 3.120) 14.742 8.687 ( 14.373 0.997 3.120) 14.742 9.297 ( -2.411 -5.825 6.610) 9.134 9.297 ( 2.411 5.825 6.610) 9.134 9.795 ( -1.085 -2.395 3.050) 4.027 9.795 ( 1.085 2.395 3.050) 4.027 10.653 ( -10.073 -1.230 -2.808) 10.529 10.653 ( 10.073 1.230 -2.808) 10.529 11.809 ( -19.112 -0.256 -2.501) 19.277 11.809 ( 19.112 0.256 -2.501) 19.277 12.037 ( -0.628 -2.990 -0.428) 3.085 12.037 ( 0.628 2.990 -0.428) 3.085 12.810 ( -14.965 -1.055 -9.825) 17.933 12.810 ( 14.965 1.055 -9.825) 17.933 14.046 ( -0.002 -9.326 -13.992) 16.815 14.046 ( 0.002 9.326 -13.992) 16.815 14.223 ( -10.350 -3.737 -13.151) 17.148 14.223 ( 10.350 3.737 -13.151) 17.148 15.109 ( -0.542 -8.631 -26.020) 27.419 15.109 ( 0.542 8.631 -26.020) 27.419 16.096 ( -4.806 -10.180 14.879) 18.657 16.096 ( 4.806 10.180 14.879) 18.657 17.119 ( -4.664 -4.543 17.659) 18.821 17.119 ( 4.664 4.543 17.659) 18.821 19.311 ( -0.019 -2.991 -13.719) 14.041 19.311 ( 0.019 2.991 -13.719) 14.041 19.687 ( -2.939 -0.533 12.330) 12.687 19.687 ( 2.939 0.533 12.330) 12.687 21.398 ( -5.947 -3.266 -3.567) 7.666 21.398 ( 5.947 3.266 -3.567) 7.666 21.846 ( -7.623 -4.340 -3.762) 9.544 21.846 ( 7.623 4.340 -3.762) 9.544 23.093 ( -17.174 -0.010 6.641) 18.413 23.093 ( 17.174 0.010 6.641) 18.413 24.158 ( -6.340 -0.122 10.473) 12.243 24.158 ( 6.340 0.122 10.473) 12.243 24.637 ( -11.479 -0.059 2.731) 11.800 24.637 ( 11.479 0.059 2.731) 11.800 26.039 ( -1.834 -0.203 -3.067) 3.579 26.039 ( 1.834 0.203 -3.067) 3.579 27.500 ( -0.029 -3.118 -1.866) 3.634 27.500 ( 0.029 3.118 -1.866) 3.634 28.088 ( -4.380 -1.032 -1.395) 4.711 28.088 ( 4.380 1.032 -1.395) 4.711 28.611 ( -1.475 -1.100 8.168) 8.372 28.611 ( 1.475 1.100 8.168) 8.372 29.032 ( -0.021 -3.199 14.902) 15.241 29.032 ( 0.021 3.199 14.902) 15.241 29.422 ( -4.030 -0.053 5.480) 6.803 29.422 ( 4.030 0.053 5.480) 6.803 31.611 ( -10.611 -0.522 -10.081) 14.645 31.611 ( 10.611 0.522 -10.081) 14.645 ======================= Grid point 165 (55/108) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 0.000 10.076) 10.076 1.960 ( 0.000 0.000 20.678) 20.678 2.258 ( 0.000 0.000 2.974) 2.974 2.322 ( 0.000 0.000 -13.527) 13.527 2.687 ( 0.000 0.000 10.236) 10.236 2.925 ( 0.000 0.000 15.497) 15.497 3.019 ( 0.000 0.000 18.085) 18.085 3.451 ( 0.000 0.000 17.308) 17.308 4.370 ( 0.000 0.000 25.650) 25.650 4.613 ( 0.000 0.000 -9.190) 9.190 4.848 ( 0.000 0.000 24.540) 24.540 5.083 ( 0.000 0.000 -3.017) 3.017 5.366 ( 0.000 0.000 27.363) 27.363 5.450 ( 0.000 0.000 -13.427) 13.427 5.822 ( 0.000 0.000 -5.166) 5.166 6.034 ( 0.000 0.000 0.956) 0.956 6.039 ( 0.000 0.000 4.323) 4.323 6.714 ( 0.000 0.000 8.696) 8.696 7.726 ( 0.000 0.000 12.404) 12.404 8.222 ( 0.000 0.000 -10.635) 10.635 8.245 ( 0.000 0.000 11.936) 11.936 8.608 ( 0.000 0.000 -0.871) 0.871 9.308 ( 0.000 0.000 -5.863) 5.863 9.499 ( 0.000 0.000 -6.473) 6.473 10.012 ( 0.000 0.000 -2.384) 2.384 10.415 ( 0.000 0.000 -2.219) 2.219 10.602 ( 0.000 0.000 -13.902) 13.902 11.189 ( 0.000 0.000 0.478) 0.478 11.767 ( 0.000 0.000 18.669) 18.669 11.922 ( 0.000 0.000 -18.972) 18.972 12.289 ( 0.000 0.000 -9.875) 9.875 12.421 ( 0.000 0.000 -21.620) 21.620 12.774 ( 0.000 0.000 -18.432) 18.432 13.104 ( 0.000 0.000 3.187) 3.187 13.638 ( 0.000 0.000 0.695) 0.695 13.935 ( 0.000 0.000 7.232) 7.232 13.956 ( 0.000 0.000 -0.024) 0.024 14.505 ( 0.000 0.000 5.202) 5.202 15.091 ( 0.000 0.000 3.891) 3.891 15.109 ( 0.000 0.000 -11.243) 11.243 15.729 ( 0.000 0.000 -14.999) 14.999 16.077 ( 0.000 0.000 -7.486) 7.486 17.327 ( 0.000 0.000 -22.864) 22.864 17.703 ( 0.000 0.000 -24.803) 24.803 19.620 ( 0.000 0.000 -5.995) 5.995 19.643 ( 0.000 0.000 -0.309) 0.309 20.119 ( 0.000 0.000 14.793) 14.793 20.711 ( 0.000 0.000 -5.396) 5.396 21.321 ( 0.000 0.000 -3.196) 3.196 21.418 ( 0.000 0.000 -4.138) 4.138 21.938 ( 0.000 0.000 17.777) 17.777 22.467 ( 0.000 0.000 11.867) 11.867 22.780 ( 0.000 0.000 20.538) 20.538 23.259 ( 0.000 0.000 9.556) 9.556 23.268 ( 0.000 0.000 3.877) 3.877 23.772 ( 0.000 0.000 1.755) 1.755 24.279 ( 0.000 0.000 8.166) 8.166 24.720 ( 0.000 0.000 13.330) 13.330 26.258 ( 0.000 0.000 -6.728) 6.728 26.344 ( 0.000 0.000 -2.976) 2.976 27.461 ( 0.000 0.000 -1.472) 1.472 27.735 ( 0.000 0.000 7.178) 7.178 28.130 ( 0.000 0.000 1.920) 1.920 28.467 ( 0.000 0.000 0.031) 0.031 28.480 ( 0.000 0.000 -2.054) 2.054 28.517 ( 0.000 0.000 3.880) 3.880 28.845 ( 0.000 0.000 -2.158) 2.158 29.101 ( 0.000 0.000 -8.442) 8.442 29.537 ( 0.000 0.000 11.460) 11.460 30.269 ( 0.000 0.000 -3.075) 3.075 30.322 ( 0.000 0.000 7.822) 7.822 31.214 ( 0.000 0.000 -7.582) 7.582 ======================= Grid point 166 (56/108) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 1.933 0.000 7.908) 8.141 1.996 ( 1.672 0.000 13.840) 13.941 2.213 ( -6.738 0.000 -4.341) 8.015 2.241 ( -1.614 0.000 3.884) 4.206 2.769 ( 5.808 0.000 7.056) 9.139 2.957 ( -1.513 0.000 11.239) 11.340 3.222 ( 20.462 0.000 16.108) 26.042 3.502 ( 4.787 0.000 18.283) 18.899 4.131 ( -16.267 0.000 22.044) 27.396 4.333 ( -19.365 0.000 -1.754) 19.444 4.839 ( 0.088 0.000 27.674) 27.674 5.159 ( -6.388 0.000 13.984) 15.374 5.347 ( 6.469 0.000 8.373) 10.581 5.653 ( 8.880 0.000 -5.222) 10.301 5.759 ( 1.137 0.000 -9.192) 9.262 6.047 ( 0.592 0.000 -0.484) 0.764 6.230 ( 14.449 0.000 2.906) 14.738 6.818 ( 3.620 0.000 7.210) 8.068 7.448 ( -11.012 0.000 5.207) 12.181 8.062 ( -16.811 0.000 8.584) 18.876 8.431 ( 9.436 0.000 -2.905) 9.873 8.545 ( -2.718 0.000 1.624) 3.166 9.420 ( 7.293 0.000 -4.475) 8.556 9.514 ( 1.307 0.000 -4.758) 4.934 10.033 ( 2.605 0.000 -4.011) 4.783 10.283 ( -7.702 0.000 -8.414) 11.407 10.756 ( 9.710 0.000 -7.398) 12.207 11.119 ( -5.666 0.000 -0.315) 5.675 11.770 ( -6.054 0.000 -10.279) 11.930 11.950 ( -16.654 0.000 -8.883) 18.874 11.992 ( 13.916 0.000 8.782) 16.455 12.552 ( -1.243 0.000 -11.436) 11.503 12.904 ( 9.344 0.000 -21.033) 23.015 13.163 ( 0.591 0.000 -11.945) 11.960 13.591 ( 3.065 0.000 7.693) 8.281 13.892 ( -3.937 0.000 8.002) 8.918 14.118 ( 10.873 0.000 -3.982) 11.580 14.492 ( -2.486 0.000 0.496) 2.535 15.033 ( -4.617 0.000 -4.998) 6.805 15.064 ( -2.431 0.000 5.675) 6.174 15.768 ( 2.949 0.000 -14.598) 14.893 15.987 ( -7.007 0.000 -8.471) 10.993 17.392 ( 5.534 0.000 -22.850) 23.510 17.656 ( -4.246 0.000 -24.268) 24.637 19.606 ( -0.850 0.000 -3.868) 3.961 19.624 ( -1.381 0.000 -0.324) 1.418 20.227 ( 9.601 0.000 12.117) 15.460 20.719 ( -1.794 0.000 -4.670) 5.003 21.177 ( -14.126 0.000 2.569) 14.357 21.242 ( -6.497 0.000 -2.734) 7.049 22.077 ( 10.382 0.000 17.782) 20.591 22.502 ( -0.858 0.000 14.779) 14.804 22.735 ( -0.056 0.000 16.437) 16.437 23.111 ( -9.361 0.000 7.965) 12.290 23.469 ( 12.509 0.000 4.569) 13.317 23.813 ( 1.503 0.000 2.371) 2.807 24.247 ( -0.954 0.000 8.505) 8.558 24.574 ( -11.024 0.000 12.686) 16.806 26.344 ( 7.101 0.000 -7.096) 10.039 26.488 ( 7.363 0.000 -7.551) 10.546 27.507 ( 5.532 0.000 -2.363) 6.015 27.736 ( -0.451 0.000 5.306) 5.325 28.175 ( 3.509 0.000 2.319) 4.206 28.390 ( -5.773 0.000 -1.273) 5.912 28.465 ( -2.954 0.000 3.718) 4.749 28.478 ( -1.077 0.000 -0.269) 1.110 28.910 ( 4.574 0.000 -3.136) 5.546 29.071 ( -2.540 0.000 -7.563) 7.978 29.578 ( 4.182 0.000 9.993) 10.833 29.983 ( -13.521 0.000 3.455) 13.955 30.624 ( 14.956 0.000 1.667) 15.049 31.136 ( -7.106 0.000 -5.252) 8.836 ======================= Grid point 167 (57/108) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -6.374 0.000 3.086) 7.082 1.923 ( 6.374 0.000 3.086) 7.082 2.188 ( -2.792 0.000 7.021) 7.556 2.188 ( 2.792 0.000 7.021) 7.556 2.887 ( -3.400 0.000 7.556) 8.286 2.887 ( 3.400 0.000 7.556) 8.286 3.601 ( -0.387 0.000 16.493) 16.497 3.601 ( 0.387 0.000 16.493) 16.497 3.943 ( -3.187 0.000 10.860) 11.318 3.943 ( 3.187 0.000 10.860) 11.318 4.932 ( -7.902 0.000 27.791) 28.892 4.932 ( 7.902 0.000 27.791) 28.892 5.543 ( -8.901 0.000 -3.108) 9.428 5.543 ( 8.901 0.000 -3.108) 9.428 5.988 ( -3.765 0.000 -4.947) 6.216 5.988 ( 3.765 0.000 -4.947) 6.216 6.596 ( -16.340 0.000 3.284) 16.667 6.596 ( 16.340 0.000 3.284) 16.667 7.620 ( -20.614 0.000 4.738) 21.152 7.620 ( 20.614 0.000 4.738) 21.152 8.522 ( -0.045 0.000 2.439) 2.440 8.522 ( 0.045 0.000 2.439) 2.440 9.523 ( -1.594 0.000 -3.152) 3.532 9.523 ( 1.594 0.000 -3.152) 3.532 10.133 ( -1.797 0.000 -8.463) 8.651 10.133 ( 1.797 0.000 -8.463) 8.651 10.961 ( -5.774 0.000 -3.812) 6.919 10.961 ( 5.774 0.000 -3.812) 6.919 11.717 ( -2.365 0.000 -9.166) 9.466 11.717 ( 2.365 0.000 -9.166) 9.466 12.345 ( -10.567 0.000 4.079) 11.326 12.345 ( 10.567 0.000 4.079) 11.326 13.081 ( -4.368 0.000 -22.925) 23.337 13.081 ( 4.368 0.000 -22.925) 23.337 13.761 ( -2.787 0.000 8.806) 9.236 13.761 ( 2.787 0.000 8.806) 9.236 14.351 ( -5.551 0.000 -7.079) 8.996 14.351 ( 5.551 0.000 -7.079) 8.996 15.005 ( -0.160 0.000 6.073) 6.075 15.005 ( 0.160 0.000 6.073) 6.075 15.848 ( -2.653 0.000 -12.117) 12.404 15.848 ( 2.653 0.000 -12.117) 12.404 17.533 ( -5.297 0.000 -23.294) 23.889 17.533 ( 5.297 0.000 -23.294) 23.889 19.601 ( -0.038 0.000 -1.290) 1.291 19.601 ( 0.038 0.000 -1.290) 1.291 20.504 ( -12.650 0.000 5.857) 13.940 20.504 ( 12.650 0.000 5.857) 13.940 21.099 ( -2.585 0.000 -0.766) 2.696 21.099 ( 2.585 0.000 -0.766) 2.696 22.329 ( -8.452 0.000 18.763) 20.578 22.329 ( 8.452 0.000 18.763) 20.578 22.883 ( -10.317 0.000 10.189) 14.500 22.883 ( 10.317 0.000 10.189) 14.500 23.726 ( -8.396 0.000 3.149) 8.967 23.726 ( 8.396 0.000 3.149) 8.967 24.339 ( -8.908 0.000 10.173) 13.522 24.339 ( 8.908 0.000 10.173) 13.522 26.500 ( -5.089 0.000 -8.266) 9.707 26.500 ( 5.089 0.000 -8.266) 9.707 27.670 ( -4.219 0.000 -0.806) 4.295 27.670 ( 4.219 0.000 -0.806) 4.295 28.262 ( -3.845 0.000 1.368) 4.081 28.262 ( 3.845 0.000 1.368) 4.081 28.447 ( -0.373 0.000 1.296) 1.349 28.447 ( 0.373 0.000 1.296) 1.349 29.002 ( -3.579 0.000 -5.234) 6.341 29.002 ( 3.579 0.000 -5.234) 6.341 29.728 ( -7.021 0.000 6.612) 9.644 29.728 ( 7.021 0.000 6.612) 9.644 30.923 ( -6.123 0.000 -1.112) 6.223 30.923 ( 6.123 0.000 -1.112) 6.223 ======================= Grid point 170 (58/108) ======================= q-point: ( 0.00 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 1.727 7.496) 7.692 1.968 ( 0.000 0.514 16.796) 16.803 2.270 ( 0.000 1.534 2.324) 2.785 2.282 ( 0.000 -3.094 -11.300) 11.716 2.701 ( 0.000 1.321 8.606) 8.707 3.026 ( 0.000 0.169 13.212) 13.213 3.066 ( 0.000 12.537 15.439) 19.888 3.680 ( 0.000 20.220 16.795) 26.285 4.230 ( 0.000 -3.748 7.424) 8.317 4.826 ( 0.000 -2.686 16.804) 17.017 4.985 ( 0.000 24.628 11.166) 27.041 5.046 ( 0.000 -1.140 4.853) 4.985 5.401 ( 0.000 -3.084 -9.346) 9.842 5.442 ( 0.000 7.090 22.193) 23.298 5.860 ( 0.000 5.197 -3.203) 6.105 6.005 ( 0.000 -1.144 6.948) 7.042 6.256 ( 0.000 15.982 0.470) 15.989 6.823 ( 0.000 9.837 6.821) 11.970 7.651 ( 0.000 -4.820 11.413) 12.389 8.225 ( 0.000 -0.225 -6.761) 6.765 8.266 ( 0.000 1.583 10.129) 10.252 8.607 ( 0.000 -0.362 -1.232) 1.284 9.311 ( 0.000 0.249 -5.137) 5.143 9.430 ( 0.000 -5.331 -8.234) 9.810 10.017 ( 0.000 -0.468 -2.496) 2.539 10.353 ( 0.000 -4.140 -2.946) 5.081 10.612 ( 0.000 -0.297 -12.037) 12.040 11.225 ( 0.000 0.862 0.560) 1.028 11.580 ( 0.000 -14.264 12.575) 19.016 11.890 ( 0.000 -0.349 -14.731) 14.735 12.397 ( 0.000 8.981 -10.887) 14.113 12.497 ( 0.000 -2.851 -11.488) 11.837 12.603 ( 0.000 -6.928 -13.004) 14.734 13.161 ( 0.000 4.513 -11.323) 12.189 13.406 ( 0.000 -16.181 7.561) 17.860 13.900 ( 0.000 -4.735 1.792) 5.063 14.026 ( 0.000 3.840 -2.747) 4.721 14.679 ( 0.000 14.202 3.072) 14.530 14.883 ( 0.000 -9.951 -3.490) 10.545 15.305 ( 0.000 6.097 -7.692) 9.815 15.649 ( 0.000 -7.045 -12.783) 14.596 16.105 ( 0.000 4.010 -4.701) 6.179 17.319 ( 0.000 -1.013 -19.947) 19.973 17.731 ( 0.000 2.582 -21.262) 21.418 19.370 ( 0.000 -13.440 -2.131) 13.608 19.781 ( 0.000 2.479 -5.177) 5.740 20.078 ( 0.000 -3.194 14.689) 15.033 20.798 ( 0.000 6.979 -4.611) 8.365 21.021 ( 0.000 -19.780 4.833) 20.362 21.568 ( 0.000 5.839 -8.026) 9.926 21.733 ( 0.000 -14.623 13.481) 19.888 22.465 ( 0.000 -3.982 9.618) 10.410 22.781 ( 0.000 0.928 16.083) 16.110 23.318 ( 0.000 4.879 3.534) 6.024 23.365 ( 0.000 10.082 10.596) 14.626 23.860 ( 0.000 7.722 3.713) 8.568 24.367 ( 0.000 7.643 8.367) 11.333 24.723 ( 0.000 0.417 13.767) 13.773 26.152 ( 0.000 -7.840 -4.640) 9.110 26.347 ( 0.000 -1.631 -4.345) 4.642 27.400 ( 0.000 -4.647 -1.459) 4.870 27.761 ( 0.000 2.385 6.612) 7.029 28.157 ( 0.000 2.348 1.787) 2.950 28.457 ( 0.000 -0.578 1.084) 1.229 28.494 ( 0.000 3.285 6.314) 7.118 28.547 ( 0.000 -1.171 -4.023) 4.190 28.910 ( 0.000 5.811 -1.226) 5.939 29.179 ( 0.000 7.566 -8.611) 11.463 29.495 ( 0.000 -3.339 12.842) 13.269 30.071 ( 0.000 -15.995 3.580) 16.391 30.430 ( 0.000 9.575 4.474) 10.569 31.315 ( 0.000 7.414 -11.485) 13.670 ======================= Grid point 171 (59/108) ======================= q-point: ( 0.25 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 2.233 1.862 6.042) 6.705 2.022 ( 3.060 1.587 11.520) 12.024 2.186 ( -6.154 -1.357 -4.287) 7.622 2.255 ( -2.052 0.956 2.808) 3.607 2.765 ( 4.828 0.201 6.506) 8.104 2.974 ( -2.738 0.937 9.850) 10.266 3.279 ( 15.524 7.011 13.445) 21.701 3.755 ( 6.891 19.963 16.404) 26.741 4.042 ( -13.317 -1.148 9.263) 16.262 4.535 ( -19.318 11.340 12.319) 25.564 4.890 ( -0.571 5.009 25.064) 25.566 5.217 ( -3.581 3.567 10.954) 12.064 5.369 ( 5.171 4.720 1.723) 7.210 5.627 ( 7.148 0.707 3.474) 7.979 5.829 ( 3.021 7.525 -2.499) 8.485 6.158 ( 9.449 0.429 2.884) 9.889 6.285 ( 4.271 12.638 0.926) 13.372 6.850 ( -2.546 2.299 5.743) 6.689 7.486 ( -4.202 5.167 5.503) 8.639 8.088 ( -15.630 2.435 7.217) 17.388 8.368 ( 5.548 -3.387 0.086) 6.501 8.572 ( 0.284 0.043 -1.289) 1.320 9.398 ( 4.967 -4.318 -4.053) 7.730 9.504 ( 6.657 0.999 -5.098) 8.444 9.971 ( -6.247 -4.262 -4.337) 8.718 10.198 ( -4.744 -7.828 -5.981) 10.934 10.808 ( 11.011 4.209 -7.921) 14.203 11.146 ( -5.739 0.420 -0.166) 5.756 11.663 ( 3.034 -9.168 1.092) 9.718 11.896 ( 3.455 -2.563 -6.299) 7.628 12.079 ( -14.009 7.500 -6.288) 17.089 12.562 ( -5.256 -3.432 -7.815) 10.024 12.769 ( 12.303 -9.313 -13.849) 20.734 13.150 ( -1.389 -1.150 -14.655) 14.766 13.455 ( 3.292 -9.025 1.963) 9.805 13.870 ( -1.172 -3.279 4.397) 5.609 14.123 ( 7.318 0.113 -5.394) 9.092 14.641 ( -4.350 9.929 -3.248) 11.316 14.868 ( -0.276 -4.231 1.883) 4.639 15.305 ( 0.325 9.921 -3.013) 10.374 15.675 ( 2.079 -7.767 -12.884) 15.187 16.003 ( -8.039 2.712 -5.256) 9.981 17.384 ( 5.477 -0.831 -20.150) 20.898 17.681 ( -4.350 2.238 -20.515) 21.090 19.403 ( 2.920 -11.935 -1.819) 12.421 19.686 ( -6.509 -1.052 -3.134) 7.300 20.192 ( 8.926 -3.337 12.617) 15.812 20.755 ( -8.662 -2.258 0.615) 8.973 20.970 ( 1.026 -7.423 1.807) 7.708 21.366 ( -11.524 4.021 -4.047) 12.859 21.925 ( 12.203 -10.109 12.079) 19.925 22.495 ( -1.711 -4.323 10.447) 11.435 22.726 ( -0.215 0.934 14.685) 14.717 23.121 ( -10.914 1.757 8.558) 13.980 23.591 ( 12.474 10.789 5.210) 17.296 23.906 ( 2.350 8.068 4.135) 9.366 24.326 ( -2.052 6.942 8.854) 11.436 24.598 ( -9.626 2.193 12.947) 16.282 26.252 ( 7.681 -7.700 -5.660) 12.261 26.439 ( 4.599 -4.938 -6.923) 9.667 27.457 ( 6.006 -3.739 -2.578) 7.530 27.759 ( -0.724 1.796 4.718) 5.100 28.197 ( 3.285 2.127 2.141) 4.460 28.412 ( -4.624 1.525 0.484) 4.893 28.464 ( -1.929 1.604 5.873) 6.386 28.501 ( -2.752 -0.844 -2.539) 3.838 28.965 ( 4.179 5.134 -2.419) 7.048 29.145 ( -2.969 6.995 -7.665) 10.794 29.535 ( 3.709 -3.315 11.945) 12.939 29.907 ( -10.400 -8.760 5.835) 14.796 30.617 ( 12.143 3.333 2.474) 12.833 31.245 ( -6.024 7.607 -9.456) 13.549 ======================= Grid point 172 (60/108) ======================= q-point: (-0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 1.200 1.300) 1.769 1.963 ( -0.000 3.916 1.045) 4.053 2.173 ( 0.000 -1.016 6.262) 6.344 2.196 ( -0.000 0.823 7.111) 7.158 2.847 ( 0.000 -1.118 6.253) 6.352 2.920 ( -0.000 0.745 7.043) 7.082 3.552 ( 0.000 5.419 10.592) 11.897 3.757 ( 0.000 -4.198 5.659) 7.046 3.987 ( -0.000 23.180 20.974) 31.260 4.214 ( 0.000 13.583 14.799) 20.088 4.938 ( -0.000 2.823 20.213) 20.410 5.049 ( 0.000 7.986 28.099) 29.211 5.552 ( 0.000 1.897 -6.547) 6.816 5.568 ( -0.000 2.023 0.622) 2.117 5.956 ( 0.000 5.017 1.809) 5.333 6.226 ( 0.000 14.749 -2.717) 14.997 6.494 ( -0.000 -3.132 6.026) 6.791 6.655 ( 0.000 -0.150 1.735) 1.741 7.674 ( 0.000 7.300 4.679) 8.670 7.700 ( -0.000 6.192 3.076) 6.913 8.415 ( 0.000 -3.903 3.732) 5.400 8.590 ( 0.000 0.206 -0.417) 0.465 9.511 ( 0.000 -2.614 -2.092) 3.348 9.557 ( 0.000 2.807 -1.890) 3.384 9.852 ( 0.000 -14.514 -9.256) 17.215 10.183 ( 0.000 -4.670 -5.040) 6.871 10.957 ( -0.000 4.773 -6.916) 8.403 11.059 ( 0.000 2.125 -1.419) 2.555 11.686 ( 0.000 -0.947 -8.684) 8.735 11.802 ( -0.000 5.083 -5.679) 7.621 12.127 ( 0.000 -9.382 1.051) 9.440 12.405 ( 0.000 -3.483 0.816) 3.578 12.950 ( 0.000 -9.844 -20.409) 22.659 13.115 ( 0.000 -0.322 -13.970) 13.973 13.481 ( 0.000 -12.151 -0.377) 12.157 13.870 ( 0.000 -0.127 2.977) 2.980 14.241 ( 0.000 -4.210 -6.449) 7.701 14.552 ( 0.000 8.609 -7.825) 11.634 14.872 ( 0.000 0.176 5.424) 5.426 15.315 ( 0.000 14.781 2.564) 15.001 15.715 ( 0.000 -8.037 -11.837) 14.307 15.876 ( 0.000 0.293 -7.645) 7.650 17.491 ( -0.000 -1.269 -21.875) 21.911 17.589 ( 0.000 2.504 -18.276) 18.447 19.461 ( 0.000 -9.354 -0.811) 9.389 19.586 ( 0.000 -4.645 -3.379) 5.744 20.379 ( 0.000 -7.804 11.896) 14.227 20.534 ( -0.000 -3.558 7.200) 8.031 21.051 ( -0.000 0.552 -2.662) 2.718 21.191 ( 0.000 4.929 -3.776) 6.210 22.139 ( 0.000 -10.420 14.331) 17.719 22.366 ( 0.000 -2.228 12.466) 12.664 22.876 ( 0.000 -2.127 11.053) 11.256 22.878 ( -0.000 1.783 10.031) 10.189 23.810 ( 0.000 10.209 2.169) 10.437 23.868 ( 0.000 9.649 6.322) 11.536 24.366 ( 0.000 3.838 10.111) 10.815 24.411 ( -0.000 5.131 11.176) 12.298 26.399 ( 0.000 -7.997 -5.776) 9.865 26.437 ( -0.000 -6.611 -8.249) 10.571 27.585 ( 0.000 -3.779 -2.872) 4.747 27.724 ( 0.000 1.144 0.359) 1.199 28.269 ( 0.000 2.954 2.486) 3.860 28.308 ( 0.000 1.443 0.471) 1.518 28.445 ( 0.000 1.661 6.103) 6.325 28.465 ( 0.000 -0.938 -2.026) 2.232 29.050 ( -0.000 5.201 -4.385) 6.803 29.073 ( 0.000 6.019 -5.704) 8.293 29.618 ( -0.000 -5.024 10.914) 12.015 29.746 ( 0.000 -4.245 7.461) 8.584 30.794 ( 0.000 0.360 1.063) 1.122 31.137 ( -0.000 8.920 -7.231) 11.483 ======================= Grid point 175 (61/108) ======================= q-point: ( 0.00 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 1.481 3.288) 3.606 2.001 ( 0.000 3.645 9.097) 9.800 2.225 ( 0.000 -2.161 -7.707) 8.004 2.323 ( 0.000 3.392 0.613) 3.447 2.732 ( 0.000 1.473 5.461) 5.656 3.004 ( 0.000 -2.637 4.030) 4.816 3.386 ( 0.000 18.300 15.681) 24.099 4.104 ( 0.000 16.800 14.986) 22.513 4.275 ( 0.000 7.008 -1.169) 7.105 4.738 ( 0.000 -4.542 0.508) 4.570 5.122 ( 0.000 8.316 16.446) 18.429 5.374 ( 0.000 1.481 -3.831) 4.107 5.382 ( 0.000 10.775 28.011) 30.012 5.620 ( 0.000 9.769 8.287) 12.810 6.038 ( 0.000 11.980 2.570) 12.253 6.137 ( 0.000 16.202 11.743) 20.010 6.503 ( 0.000 6.267 8.760) 10.771 7.090 ( 0.000 16.487 0.928) 16.513 7.652 ( 0.000 6.370 2.249) 6.755 8.190 ( 0.000 -3.394 5.911) 6.816 8.314 ( 0.000 3.834 6.221) 7.307 8.559 ( 0.000 -5.343 -1.959) 5.691 9.312 ( 0.000 0.052 -2.089) 2.090 9.376 ( 0.000 2.230 -12.864) 13.056 9.994 ( 0.000 -0.687 -1.762) 1.891 10.281 ( 0.000 -3.606 -4.071) 5.438 10.531 ( 0.000 -8.168 -7.417) 11.033 11.142 ( 0.000 -9.039 -1.785) 9.213 11.313 ( 0.000 -11.018 5.628) 12.372 11.969 ( 0.000 7.399 -4.403) 8.610 12.141 ( 0.000 -20.469 -2.686) 20.644 12.615 ( 0.000 12.093 -10.042) 15.718 12.688 ( 0.000 5.186 -13.878) 14.815 13.103 ( 0.000 -12.369 7.590) 14.511 13.255 ( 0.000 4.230 -21.088) 21.508 13.772 ( 0.000 -7.884 -0.211) 7.886 14.049 ( 0.000 -1.078 -10.746) 10.800 14.673 ( 0.000 -11.119 -7.887) 13.632 14.933 ( 0.000 6.011 -7.363) 9.505 15.273 ( 0.000 -8.860 -13.151) 15.857 15.527 ( 0.000 -0.806 -0.738) 1.093 16.273 ( 0.000 11.669 2.188) 11.872 17.277 ( 0.000 -3.249 -12.308) 12.730 17.792 ( 0.000 2.818 -11.235) 11.583 19.106 ( 0.000 -12.034 -5.623) 13.283 19.732 ( 0.000 -6.569 -5.835) 8.786 20.014 ( 0.000 -2.948 15.426) 15.705 20.610 ( 0.000 -18.905 12.517) 22.673 20.914 ( 0.000 3.111 -0.842) 3.223 21.509 ( 0.000 -5.374 3.169) 6.239 21.630 ( 0.000 0.550 -9.132) 9.149 22.290 ( 0.000 -11.753 3.538) 12.274 22.827 ( 0.000 3.119 11.318) 11.740 23.468 ( 0.000 9.633 0.032) 9.633 23.602 ( 0.000 11.353 13.569) 17.692 24.046 ( 0.000 9.817 5.734) 11.369 24.539 ( 0.000 8.068 9.130) 12.184 24.744 ( 0.000 1.976 13.438) 13.583 25.994 ( 0.000 -6.950 -3.073) 7.599 26.269 ( 0.000 -5.567 -4.439) 7.120 27.322 ( 0.000 -2.423 -1.885) 3.070 27.816 ( 0.000 2.634 4.945) 5.603 28.197 ( 0.000 0.844 -0.166) 0.860 28.409 ( 0.000 -11.802 -6.989) 13.716 28.476 ( 0.000 3.285 4.973) 5.961 28.609 ( 0.000 7.012 8.534) 11.045 29.046 ( 0.000 6.675 2.328) 7.070 29.366 ( 0.000 9.430 -5.952) 11.151 29.434 ( 0.000 -1.984 13.547) 13.691 29.748 ( 0.000 -13.917 12.855) 18.945 30.662 ( 0.000 12.186 -1.519) 12.280 31.448 ( 0.000 5.278 -14.858) 15.767 ======================= Grid point 176 (62/108) ======================= q-point: ( 0.25 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 2.594 1.941 1.976) 3.795 2.054 ( 3.526 2.472 6.756) 8.011 2.170 ( -3.997 -0.336 -4.765) 6.229 2.297 ( -2.426 3.406 1.914) 4.599 2.780 ( 3.693 0.766 4.389) 5.787 2.967 ( -2.915 -1.940 3.874) 5.222 3.507 ( 10.006 14.603 11.875) 21.316 4.048 ( -12.639 8.157 -0.001) 15.042 4.223 ( 7.145 14.918 16.737) 23.531 4.704 ( -8.165 5.863 12.072) 15.709 5.012 ( -3.923 6.386 15.459) 17.180 5.267 ( -0.353 3.249 5.368) 6.284 5.531 ( 3.448 9.220 12.718) 16.083 5.731 ( -2.348 6.106 6.179) 8.999 6.060 ( 13.541 13.114 8.434) 20.651 6.229 ( 5.461 11.601 5.441) 13.928 6.522 ( 1.085 6.802 7.353) 10.076 6.958 ( -11.914 11.764 1.084) 16.778 7.691 ( 5.062 13.932 1.289) 14.879 8.126 ( -9.352 0.304 4.674) 10.460 8.364 ( 3.508 3.331 7.683) 9.079 8.511 ( 0.088 -5.377 -4.384) 6.938 9.238 ( -0.177 -8.955 -3.553) 9.636 9.582 ( 9.627 5.312 -6.386) 12.715 9.874 ( -17.706 -5.684 -2.213) 18.727 10.058 ( 0.131 -3.449 -4.640) 5.783 10.834 ( 14.509 -3.751 -5.622) 16.005 11.075 ( -4.292 -7.542 -0.194) 8.680 11.473 ( 12.341 -7.883 2.806) 14.910 11.920 ( -4.044 4.517 -5.570) 8.233 12.165 ( -1.930 -7.951 -7.008) 10.772 12.401 ( -9.457 1.169 -8.154) 12.542 12.680 ( -2.918 -2.573 -6.421) 7.507 13.055 ( -1.430 -7.916 -1.787) 8.240 13.371 ( 2.381 0.967 -15.458) 15.670 13.777 ( 3.755 -4.889 -4.955) 7.909 14.110 ( 3.819 -1.576 -11.092) 11.837 14.615 ( -4.355 -9.162 -8.682) 13.352 14.942 ( 0.122 2.403 -5.118) 5.656 15.334 ( 5.122 -7.463 -13.018) 15.855 15.559 ( 2.900 0.742 -0.213) 3.001 16.160 ( -9.209 12.406 3.472) 15.836 17.353 ( 6.403 -2.366 -12.155) 13.940 17.730 ( -5.429 1.982 -10.664) 12.130 19.157 ( 4.525 -11.716 -5.217) 13.600 19.596 ( -9.628 -7.159 -5.188) 13.071 20.095 ( 5.694 -5.600 15.353) 17.306 20.503 ( -8.311 -15.716 13.547) 22.351 21.004 ( 6.969 4.292 -3.112) 8.756 21.406 ( -7.259 1.418 -4.396) 8.604 21.775 ( 11.122 -4.864 0.163) 12.140 22.305 ( -1.017 -12.500 3.513) 13.024 22.792 ( -0.481 4.586 11.202) 12.114 23.213 ( -14.521 7.327 6.985) 17.702 23.832 ( 12.507 11.473 7.467) 18.542 24.097 ( 3.210 10.004 5.762) 11.982 24.485 ( -3.699 7.492 9.905) 12.959 24.657 ( -7.015 3.626 12.541) 14.820 26.085 ( 7.215 -7.715 -3.580) 11.153 26.303 ( 1.086 -7.769 -5.382) 9.513 27.391 ( 6.481 -2.452 -3.238) 7.649 27.793 ( -2.597 1.293 2.726) 3.981 28.224 ( 2.183 -0.808 -0.979) 2.525 28.358 ( -3.811 -9.189 -5.361) 11.300 28.481 ( 0.281 3.659 5.326) 6.468 28.568 ( -3.122 7.105 9.051) 11.923 29.091 ( 3.718 6.281 0.778) 7.340 29.312 ( -4.338 8.027 -4.845) 10.331 29.477 ( 3.255 -1.769 13.054) 13.569 29.683 ( -4.806 -10.670 14.461) 18.603 30.780 ( 9.150 10.784 -3.219) 14.504 31.377 ( -6.006 5.220 -13.145) 15.366 ======================= Grid point 177 (63/108) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.000 0.354 -0.662) 0.751 2.044 ( 0.000 2.957 -1.459) 3.297 2.165 ( 0.000 0.878 3.156) 3.276 2.244 ( 0.000 4.405 5.173) 6.794 2.845 ( 0.000 0.286 3.753) 3.764 2.912 ( -0.000 -1.662 3.381) 3.768 3.747 ( 0.000 11.785 5.181) 12.874 3.774 ( -0.000 6.034 4.414) 7.477 4.433 ( -0.000 17.918 18.588) 25.817 4.477 ( 0.000 11.857 18.491) 21.966 5.002 ( 0.000 2.670 10.132) 10.478 5.221 ( 0.000 8.435 14.548) 16.817 5.621 ( 0.000 5.618 6.166) 8.341 5.640 ( -0.000 3.696 7.351) 8.228 6.211 ( 0.000 18.337 4.797) 18.954 6.429 ( -0.000 8.011 7.022) 10.653 6.586 ( 0.000 -5.326 1.981) 5.683 6.672 ( -0.000 19.643 4.323) 20.113 7.835 ( 0.000 5.707 -2.089) 6.077 7.917 ( 0.000 15.455 5.465) 16.392 8.405 ( 0.000 3.613 5.859) 6.884 8.523 ( 0.000 -6.222 -2.945) 6.884 9.359 ( -0.000 -12.097 -0.035) 12.097 9.468 ( 0.000 -11.551 -4.044) 12.238 9.764 ( 0.000 6.645 -4.188) 7.855 10.085 ( 0.000 -2.583 -3.763) 4.564 11.009 ( 0.000 -7.163 0.956) 7.226 11.019 ( -0.000 -1.806 -4.976) 5.294 11.695 ( 0.000 2.104 -5.805) 6.174 11.807 ( -0.000 -3.219 -0.597) 3.274 12.120 ( 0.000 6.564 -8.592) 10.812 12.264 ( 0.000 -7.467 -6.834) 10.122 12.699 ( 0.000 -13.191 -8.273) 15.570 13.001 ( 0.000 -11.038 3.552) 11.595 13.377 ( 0.000 1.776 -15.476) 15.577 13.856 ( 0.000 0.164 -13.065) 13.066 14.160 ( 0.000 -4.257 -10.566) 11.391 14.550 ( 0.000 -7.233 -7.530) 10.441 14.939 ( 0.000 -0.593 -5.007) 5.042 15.409 ( 0.000 -7.194 -12.044) 14.029 15.623 ( 0.000 2.602 -1.040) 2.802 16.008 ( 0.000 13.911 6.102) 15.191 17.474 ( -0.000 -0.861 -13.271) 13.299 17.622 ( 0.000 0.489 -8.914) 8.927 19.248 ( 0.000 -10.997 -3.879) 11.661 19.443 ( 0.000 -8.681 -6.561) 10.882 20.195 ( 0.000 -9.112 16.822) 19.131 20.364 ( 0.000 -11.206 13.834) 17.803 21.128 ( -0.000 6.063 -5.910) 8.467 21.280 ( 0.000 2.918 -4.977) 5.770 21.977 ( 0.000 -5.240 3.026) 6.051 22.219 ( 0.000 -11.831 4.391) 12.620 22.889 ( 0.000 4.600 10.162) 11.155 22.948 ( -0.000 4.930 8.584) 9.899 24.055 ( 0.000 12.132 3.826) 12.721 24.073 ( -0.000 9.857 8.637) 13.105 24.473 ( 0.000 6.037 10.462) 12.079 24.522 ( -0.000 5.342 11.853) 13.001 26.221 ( 0.000 -8.458 -3.225) 9.052 26.269 ( -0.000 -8.921 -6.379) 10.967 27.518 ( 0.000 -2.999 -4.400) 5.325 27.726 ( 0.000 -0.813 -1.020) 1.304 28.270 ( -0.000 -6.027 -5.055) 7.867 28.292 ( 0.000 -3.192 -0.234) 3.200 28.489 ( 0.000 6.293 6.827) 9.285 28.519 ( 0.000 5.714 8.897) 10.574 29.174 ( -0.000 5.698 -2.121) 6.079 29.219 ( 0.000 7.438 -2.941) 7.998 29.541 ( -0.000 -2.597 13.843) 14.085 29.601 ( 0.000 -7.453 15.369) 17.081 30.925 ( 0.000 10.415 -5.453) 11.757 31.272 ( -0.000 4.669 -10.766) 11.735 ======================= Grid point 180 (64/108) ======================= q-point: ( 0.00 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 1.179 1.901) 2.237 2.126 ( 0.000 8.127 0.019) 8.127 2.192 ( 0.000 -1.246 -4.576) 4.743 2.398 ( 0.000 3.902 -0.906) 4.006 2.745 ( 0.000 -0.626 1.892) 1.993 2.918 ( 0.000 -5.528 -2.641) 6.127 3.780 ( 0.000 19.092 12.769) 22.968 4.261 ( 0.000 -0.364 11.584) 11.589 4.454 ( 0.000 9.569 -4.739) 10.678 4.688 ( 0.000 -0.578 -1.827) 1.916 5.306 ( 0.000 8.294 6.156) 10.329 5.487 ( 0.000 3.567 19.382) 19.707 5.495 ( 0.000 9.798 11.053) 14.771 5.832 ( 0.000 9.994 22.718) 24.819 6.258 ( 0.000 5.177 14.218) 15.132 6.490 ( 0.000 13.343 10.281) 16.845 6.607 ( 0.000 9.075 6.216) 11.000 7.475 ( 0.000 18.073 -8.914) 20.152 7.835 ( 0.000 8.799 -5.789) 10.533 8.078 ( 0.000 -6.973 19.061) 20.297 8.439 ( 0.000 7.754 0.597) 7.777 8.469 ( 0.000 1.599 2.540) 3.001 9.351 ( 0.000 5.250 3.547) 6.336 9.501 ( 0.000 6.807 -16.105) 17.485 10.006 ( 0.000 1.197 -0.231) 1.219 10.201 ( 0.000 -3.459 -3.830) 5.160 10.326 ( 0.000 -10.229 -6.463) 12.099 10.888 ( 0.000 -15.224 -0.891) 15.250 11.102 ( 0.000 -10.132 2.346) 10.400 11.785 ( 0.000 -13.659 -3.023) 13.989 12.135 ( 0.000 7.712 3.873) 8.630 12.753 ( 0.000 0.793 -9.949) 9.980 12.837 ( 0.000 3.969 1.149) 4.132 12.965 ( 0.000 4.296 -6.103) 7.464 13.322 ( 0.000 2.000 -20.577) 20.674 13.597 ( 0.000 -8.169 -9.934) 12.861 14.001 ( 0.000 -3.561 -13.618) 14.076 14.432 ( 0.000 -11.797 -15.449) 19.438 14.835 ( 0.000 -11.974 -20.029) 23.336 15.002 ( 0.000 -16.439 -17.036) 23.674 15.700 ( 0.000 14.298 12.438) 18.951 16.528 ( 0.000 12.619 8.756) 15.359 17.187 ( 0.000 -5.391 -3.203) 6.271 17.806 ( 0.000 -2.473 2.910) 3.819 18.918 ( 0.000 -5.262 -13.533) 14.520 19.549 ( 0.000 -10.701 -7.569) 13.107 19.954 ( 0.000 -2.974 16.424) 16.691 20.299 ( 0.000 -11.281 16.099) 19.658 20.948 ( 0.000 1.812 1.459) 2.326 21.490 ( 0.000 1.075 -4.759) 4.879 21.608 ( 0.000 -2.244 -9.738) 9.993 22.041 ( 0.000 -11.636 -2.209) 11.844 22.892 ( 0.000 3.084 11.050) 11.473 23.683 ( 0.000 10.706 -3.546) 11.278 23.789 ( 0.000 6.882 16.326) 17.717 24.235 ( 0.000 8.367 6.017) 10.305 24.640 ( 0.000 1.464 12.523) 12.609 24.828 ( 0.000 6.230 8.813) 10.792 25.888 ( 0.000 -3.273 -2.307) 4.005 26.140 ( 0.000 -6.719 -4.101) 7.872 27.310 ( 0.000 1.240 -2.761) 3.027 27.859 ( 0.000 1.581 3.330) 3.687 28.105 ( 0.000 -16.848 -8.053) 18.673 28.187 ( 0.000 -1.361 -2.344) 2.711 28.582 ( 0.000 6.056 8.519) 10.452 28.750 ( 0.000 6.252 9.702) 11.542 29.153 ( 0.000 3.473 9.555) 10.167 29.430 ( 0.000 1.598 10.117) 10.243 29.520 ( 0.000 -0.167 -2.904) 2.909 29.543 ( 0.000 -0.703 19.676) 19.689 30.893 ( 0.000 9.961 -6.258) 11.764 31.534 ( 0.000 3.321 -15.895) 16.238 ======================= Grid point 181 (65/108) ======================= q-point: ( 0.25 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 2.376 1.179 0.958) 2.821 2.122 ( -2.046 2.192 -1.102) 3.194 2.188 ( 1.288 3.775 -2.452) 4.682 2.384 ( -1.198 4.826 -0.221) 4.977 2.776 ( 2.571 -1.496 1.138) 3.185 2.895 ( -1.994 -4.901 -2.078) 5.684 3.833 ( 4.750 16.117 9.106) 19.111 4.205 ( -12.181 6.753 -1.615) 14.021 4.408 ( 9.934 3.651 13.726) 17.332 4.781 ( -0.481 1.779 5.827) 6.112 5.166 ( -5.947 9.494 10.660) 15.464 5.392 ( 0.508 8.878 3.867) 9.697 5.746 ( 5.054 9.161 24.926) 27.033 5.798 ( -6.437 4.115 12.649) 14.778 6.232 ( 9.452 1.360 13.627) 16.640 6.513 ( 0.754 11.012 2.137) 11.243 6.687 ( 3.666 12.386 8.780) 15.619 7.341 ( -10.384 22.246 -2.599) 24.687 7.926 ( 2.520 5.785 -6.660) 9.175 8.151 ( 7.433 2.008 16.049) 17.801 8.322 ( -3.872 -2.745 -4.333) 6.427 8.529 ( 1.610 5.494 6.226) 8.458 9.141 ( -8.231 1.514 -0.912) 8.419 9.629 ( -11.256 -1.830 -7.143) 13.456 9.835 ( -0.057 3.207 -2.849) 4.290 10.064 ( 1.434 3.127 -1.823) 3.893 10.651 ( 11.897 -12.714 -2.766) 17.630 10.868 ( 0.521 -11.831 0.648) 11.860 11.334 ( 17.831 -6.559 -1.877) 19.091 11.885 ( 8.403 -12.952 -5.492) 16.387 12.047 ( -7.536 6.317 -1.370) 9.929 12.543 ( -17.469 4.511 -11.716) 21.512 12.650 ( -8.089 1.572 4.623) 9.448 12.896 ( -8.270 -5.695 -2.882) 10.447 13.431 ( 3.356 3.899 -14.557) 15.440 13.693 ( 11.351 -3.247 -17.071) 20.756 14.065 ( 2.620 -2.615 -16.466) 16.877 14.378 ( -3.891 -13.111 -13.253) 19.044 14.801 ( -2.589 -12.883 -17.732) 22.071 15.075 ( 5.285 -15.955 -18.554) 25.035 15.753 ( 4.488 14.661 12.637) 19.869 16.434 ( -7.514 12.994 9.339) 17.678 17.283 ( 7.971 -4.369 -1.876) 9.282 17.732 ( -6.416 -2.425 2.280) 7.228 18.963 ( 4.141 -6.249 -12.317) 14.419 19.418 ( -9.909 -9.740 -8.551) 16.315 19.993 ( 3.070 -4.066 16.922) 17.672 20.236 ( -4.886 -9.873 16.797) 20.087 21.067 ( 9.225 2.361 -1.587) 9.653 21.451 ( -5.641 2.605 -7.010) 9.367 21.684 ( 9.057 -4.919 -4.912) 11.417 22.055 ( -0.709 -10.869 -2.104) 11.093 22.887 ( 1.554 4.477 10.056) 11.117 23.388 ( -16.852 8.836 4.396) 19.529 24.027 ( 12.078 7.508 9.362) 17.026 24.291 ( 3.629 8.621 5.756) 10.982 24.585 ( -3.743 2.075 12.820) 13.516 24.757 ( -6.086 6.069 8.959) 12.415 25.962 ( 5.915 -4.215 -2.627) 7.724 26.148 ( -0.229 -7.078 -4.300) 8.285 27.361 ( 4.778 -0.390 -3.702) 6.057 27.792 ( -6.106 -2.421 -0.711) 6.607 28.104 ( 0.523 -10.522 -5.336) 11.809 28.200 ( 0.609 -3.472 -1.579) 3.862 28.599 ( 1.619 6.477 8.935) 11.154 28.715 ( -2.863 6.602 9.862) 12.209 29.191 ( 3.138 3.314 7.849) 9.079 29.415 ( -2.702 1.721 7.020) 7.716 29.492 ( -0.714 1.867 3.178) 3.755 29.535 ( -0.662 -2.182 19.053) 19.189 30.994 ( 8.307 9.417 -7.970) 14.873 31.464 ( -6.092 3.513 -14.720) 16.313 ======================= Grid point 182 (66/108) ======================= q-point: (-0.50 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 0.969 -0.651) 1.167 2.072 ( 0.000 0.203 -0.538) 0.575 2.219 ( 0.000 4.349 -1.853) 4.728 2.364 ( 0.000 6.461 0.883) 6.521 2.832 ( 0.000 -1.800 0.445) 1.854 2.846 ( -0.000 -4.830 -1.579) 5.082 3.974 ( 0.000 12.316 3.411) 12.780 3.977 ( -0.000 10.214 2.550) 10.528 4.646 ( -0.000 2.311 10.915) 11.157 4.660 ( 0.000 5.154 19.825) 20.484 5.102 ( 0.000 9.493 10.715) 14.315 5.400 ( 0.000 9.804 -1.882) 9.983 5.674 ( 0.000 0.771 12.775) 12.799 5.806 ( 0.000 12.153 24.020) 26.920 6.379 ( 0.000 -6.448 7.255) 9.707 6.630 ( 0.000 7.548 10.963) 13.310 6.688 ( -0.000 17.650 -2.004) 17.764 7.152 ( 0.000 25.171 2.877) 25.335 7.924 ( 0.000 5.184 -3.399) 6.199 8.232 ( 0.000 11.695 4.136) 12.405 8.383 ( 0.000 -3.803 1.231) 3.997 8.489 ( 0.000 -0.047 4.468) 4.468 9.140 ( -0.000 -4.357 1.963) 4.779 9.310 ( 0.000 -2.007 -2.361) 3.098 9.928 ( 0.000 7.394 -3.945) 8.380 10.076 ( 0.000 0.489 -1.520) 1.596 10.793 ( 0.000 -12.602 1.538) 12.696 10.873 ( 0.000 -10.637 -1.599) 10.756 11.705 ( 0.000 -2.985 -3.664) 4.726 11.784 ( -0.000 0.847 -2.186) 2.344 12.137 ( 0.000 -8.175 -16.207) 18.152 12.217 ( 0.000 3.659 -12.311) 12.843 12.565 ( 0.000 2.925 8.374) 8.870 12.747 ( 0.000 -12.162 4.905) 13.113 13.467 ( 0.000 5.830 -15.213) 16.292 13.888 ( -0.000 2.607 -25.216) 25.351 14.054 ( 0.000 -6.085 -15.116) 16.295 14.327 ( 0.000 -13.693 -9.672) 16.765 14.765 ( 0.000 -13.283 -17.072) 21.631 15.146 ( 0.000 -16.104 -19.186) 25.049 15.829 ( 0.000 14.741 12.373) 19.245 16.316 ( 0.000 13.947 10.752) 17.610 17.433 ( 0.000 -3.395 -0.322) 3.410 17.602 ( 0.000 -2.554 1.158) 2.804 19.049 ( 0.000 -7.557 -9.876) 12.436 19.258 ( 0.000 -8.869 -10.816) 13.987 20.050 ( 0.000 -4.907 17.809) 18.473 20.155 ( 0.000 -8.398 16.810) 18.791 21.257 ( -0.000 5.800 -7.839) 9.752 21.299 ( 0.000 -0.599 -3.338) 3.391 21.903 ( 0.000 -2.784 -4.965) 5.692 21.951 ( -0.000 -12.746 1.099) 12.794 23.028 ( -0.000 7.708 7.438) 10.711 23.064 ( 0.000 5.929 6.381) 8.710 24.249 ( 0.000 7.036 10.116) 12.323 24.261 ( -0.000 7.559 6.295) 9.836 24.592 ( -0.000 5.428 9.821) 11.222 24.620 ( 0.000 4.399 10.799) 11.661 26.078 ( 0.000 -5.427 -2.459) 5.958 26.105 ( -0.000 -6.749 -4.755) 8.256 27.458 ( 0.000 -2.825 -4.738) 5.516 27.677 ( -0.000 -4.510 -3.872) 5.944 28.116 ( 0.000 -6.505 -3.527) 7.400 28.205 ( 0.000 -4.687 -0.856) 4.765 28.649 ( -0.000 7.630 9.254) 11.994 28.649 ( 0.000 6.214 10.033) 11.801 29.250 ( 0.000 1.961 5.662) 5.992 29.348 ( 0.000 4.858 3.746) 6.135 29.506 ( -0.000 -0.930 13.313) 13.346 29.516 ( 0.000 -0.687 15.041) 15.057 31.143 ( 0.000 9.937 -10.564) 14.503 31.344 ( 0.000 2.723 -12.564) 12.856 ======================= Grid point 185 (67/108) ======================= q-point: ( 0.00 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 1.188 2.330) 2.615 2.171 ( 0.000 -0.793 -2.512) 2.634 2.299 ( 0.000 8.155 -6.374) 10.351 2.477 ( 0.000 3.386 -2.500) 4.209 2.700 ( 0.000 -3.348 -1.633) 3.725 2.800 ( 0.000 -5.502 -4.589) 7.165 4.084 ( 0.000 9.315 7.384) 11.887 4.200 ( 0.000 -3.541 7.658) 8.437 4.655 ( 0.000 9.891 -3.889) 10.628 4.680 ( 0.000 -0.536 -2.294) 2.356 5.455 ( 0.000 6.030 4.368) 7.446 5.603 ( 0.000 8.075 16.039) 17.957 5.691 ( 0.000 7.874 26.610) 27.751 5.965 ( 0.000 1.265 25.876) 25.907 6.253 ( 0.000 -2.437 13.237) 13.459 6.653 ( 0.000 5.127 11.404) 12.503 6.842 ( 0.000 9.846 -3.552) 10.467 7.503 ( 0.000 -13.200 4.811) 14.049 7.977 ( 0.000 5.400 -9.247) 10.708 8.144 ( 0.000 11.602 1.740) 11.732 8.565 ( 0.000 3.751 -0.607) 3.800 8.717 ( 0.000 20.113 13.661) 24.313 9.535 ( 0.000 -3.044 -11.991) 12.372 9.549 ( 0.000 12.919 7.331) 14.854 10.012 ( 0.000 -0.185 1.913) 1.922 10.114 ( 0.000 -12.856 -14.684) 19.516 10.168 ( 0.000 -0.821 -3.114) 3.220 10.561 ( 0.000 -15.362 2.335) 15.539 10.998 ( 0.000 2.897 3.777) 4.760 11.559 ( 0.000 -9.902 -5.758) 11.454 12.252 ( 0.000 3.534 8.115) 8.851 12.716 ( 0.000 -3.661 -2.194) 4.268 12.823 ( 0.000 -0.408 4.051) 4.071 13.212 ( 0.000 14.135 -11.493) 18.218 13.308 ( 0.000 -3.027 -18.262) 18.511 13.515 ( 0.000 0.449 -20.392) 20.397 13.873 ( 0.000 -9.830 -9.985) 14.012 14.268 ( 0.000 -2.250 -24.047) 24.152 14.585 ( 0.000 -10.561 -23.762) 26.003 14.655 ( 0.000 -16.440 -20.882) 26.577 15.980 ( 0.000 11.448 13.946) 18.043 16.763 ( 0.000 9.823 14.171) 17.243 17.073 ( 0.000 -5.231 3.794) 6.463 17.692 ( 0.000 -7.329 11.949) 14.018 18.916 ( 0.000 4.493 -18.413) 18.953 19.319 ( 0.000 -11.356 -10.775) 15.654 19.901 ( 0.000 -1.996 16.591) 16.711 20.145 ( 0.000 -4.389 16.932) 17.491 21.016 ( 0.000 4.437 -1.020) 4.553 21.480 ( 0.000 -2.590 -2.538) 3.626 21.559 ( 0.000 -2.109 -10.333) 10.546 21.858 ( 0.000 -5.580 -8.472) 10.145 22.946 ( 0.000 2.063 12.175) 12.348 23.870 ( 0.000 6.974 -5.010) 8.587 23.886 ( 0.000 2.849 18.024) 18.248 24.372 ( 0.000 4.807 5.597) 7.378 24.634 ( 0.000 -1.216 14.416) 14.467 24.950 ( 0.000 4.850 5.150) 7.074 25.859 ( 0.000 0.217 -2.250) 2.261 26.012 ( 0.000 -5.519 -3.640) 6.611 27.373 ( 0.000 5.005 -3.685) 6.216 27.773 ( 0.000 -14.896 -6.509) 16.256 27.882 ( 0.000 0.669 2.492) 2.581 28.160 ( 0.000 -1.040 -3.159) 3.326 28.687 ( 0.000 3.755 9.776) 10.473 28.848 ( 0.000 3.210 9.627) 10.148 29.196 ( 0.000 1.146 15.630) 15.672 29.429 ( 0.000 -3.009 17.169) 17.431 29.478 ( 0.000 2.363 6.485) 6.903 29.633 ( 0.000 3.383 5.072) 6.096 31.051 ( 0.000 5.400 -8.859) 10.375 31.586 ( 0.000 1.810 -15.975) 16.077 ======================= Grid point 186 (68/108) ======================= q-point: ( 0.25 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 2.427 1.279 1.610) 3.181 2.129 ( -3.449 -0.395 -1.601) 3.823 2.316 ( 1.179 7.150 -6.159) 9.510 2.477 ( -0.024 3.598 -2.431) 4.342 2.714 ( 1.076 -4.074 -2.334) 4.817 2.789 ( -0.917 -4.985 -3.546) 6.186 4.095 ( 1.913 8.575 4.345) 9.802 4.288 ( 2.646 1.057 7.070) 7.623 4.449 ( -2.929 1.524 1.897) 3.808 4.814 ( -0.606 2.418 3.998) 4.712 5.398 ( -1.552 12.658 8.878) 15.538 5.591 ( -0.096 9.317 14.787) 17.478 5.776 ( -1.292 -0.622 11.884) 11.970 5.970 ( 1.631 2.567 25.258) 25.441 6.209 ( 2.243 1.516 14.768) 15.015 6.617 ( 0.367 0.145 7.237) 7.247 6.953 ( 4.592 12.440 0.991) 13.298 7.518 ( -1.843 -8.441 3.509) 9.325 8.009 ( 3.218 -0.234 -6.038) 6.846 8.197 ( 5.227 13.564 0.063) 14.537 8.425 ( -8.564 1.320 -4.286) 9.667 8.712 ( -2.198 17.577 12.932) 21.932 9.282 ( -8.137 9.181 2.142) 12.453 9.614 ( -15.583 1.166 -4.264) 16.198 9.826 ( 6.307 -6.343 0.854) 8.986 10.153 ( -0.727 3.031 -0.170) 3.122 10.392 ( 7.625 -10.324 -1.113) 12.883 10.633 ( 8.973 -10.237 -3.368) 14.023 11.255 ( 19.378 1.282 -2.225) 19.548 11.661 ( 9.580 -10.250 -6.911) 15.640 12.147 ( -10.285 3.800 2.281) 11.199 12.504 ( -15.957 -7.638 0.663) 17.704 12.700 ( -6.405 4.559 -1.074) 7.935 12.918 ( -17.492 4.751 -5.921) 19.068 13.509 ( 8.242 4.030 -14.290) 16.982 13.659 ( 11.781 0.239 -19.167) 22.500 13.953 ( 4.192 -10.932 -14.693) 18.787 14.184 ( -7.119 -2.529 -21.306) 22.606 14.546 ( -1.704 -9.804 -22.664) 24.753 14.746 ( 5.476 -15.179 -24.015) 28.933 16.045 ( 5.591 12.527 15.379) 20.608 16.642 ( -8.799 6.423 13.664) 17.475 17.199 ( 9.352 -2.829 6.098) 11.517 17.633 ( -5.360 -6.345 10.824) 13.643 18.926 ( 1.392 2.343 -17.346) 17.559 19.222 ( -7.500 -9.160 -12.036) 16.883 19.932 ( 2.622 -2.005 16.712) 17.035 20.100 ( -3.581 -3.849 17.089) 17.879 21.116 ( 7.944 2.458 -2.844) 8.788 21.479 ( -6.443 -1.038 -9.204) 11.283 21.585 ( 8.858 -3.076 -1.938) 9.575 21.893 ( 0.994 -5.022 -7.207) 8.840 22.964 ( 3.437 2.831 10.154) 11.088 23.538 ( -17.690 5.367 4.000) 18.914 24.139 ( 11.045 3.639 9.756) 15.179 24.431 ( 3.248 4.839 5.457) 7.984 24.594 ( -1.810 -0.483 14.251) 14.373 24.871 ( -6.797 4.471 5.931) 10.068 25.913 ( 4.305 -0.769 -2.616) 5.096 26.025 ( 0.533 -4.771 -3.803) 6.124 27.382 ( 1.222 2.633 -3.827) 4.803 27.658 ( -7.107 -9.628 -4.622) 12.828 27.973 ( 5.084 -2.280 -0.230) 5.576 28.148 ( -1.238 -1.806 -2.536) 3.350 28.707 ( 1.768 3.709 9.912) 10.730 28.816 ( -2.528 3.206 9.981) 10.784 29.238 ( 3.321 1.790 14.370) 14.857 29.415 ( -0.949 -1.345 15.254) 15.343 29.493 ( 0.927 1.106 7.951) 8.081 29.587 ( -3.532 2.834 7.092) 8.414 31.143 ( 7.734 5.047 -10.297) 13.832 31.522 ( -5.786 2.064 -15.203) 16.398 ======================= Grid point 187 (69/108) ======================= q-point: (-0.50 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 1.933 0.121) 1.937 2.065 ( 0.000 -0.834 0.038) 0.835 2.332 ( 0.000 6.416 -5.913) 8.725 2.476 ( 0.000 3.768 -2.388) 4.461 2.732 ( 0.000 -5.418 -4.157) 6.828 2.772 ( 0.000 -3.836 -1.365) 4.072 4.156 ( 0.000 7.438 0.915) 7.495 4.209 ( -0.000 8.962 1.676) 9.118 4.605 ( 0.000 -3.300 8.604) 9.215 4.679 ( 0.000 -2.501 16.734) 16.920 5.380 ( 0.000 16.587 11.664) 20.278 5.610 ( -0.000 9.461 -2.196) 9.712 5.712 ( 0.000 2.734 13.561) 13.834 6.003 ( 0.000 -1.075 22.554) 22.579 6.266 ( 0.000 3.143 14.537) 14.873 6.662 ( 0.000 -4.120 15.782) 16.311 7.003 ( 0.000 13.148 -2.531) 13.390 7.439 ( 0.000 -0.219 -0.741) 0.773 8.101 ( -0.000 4.134 -0.042) 4.135 8.162 ( 0.000 -7.184 -8.323) 10.995 8.457 ( -0.000 9.026 -4.770) 10.209 8.616 ( 0.000 14.826 12.075) 19.120 9.235 ( -0.000 9.818 7.023) 12.071 9.371 ( 0.000 5.925 1.751) 6.178 9.972 ( 0.000 -4.890 -2.286) 5.398 10.033 ( -0.000 -6.425 3.977) 7.556 10.590 ( 0.000 -4.858 -1.158) 4.995 10.679 ( 0.000 -6.817 -2.277) 7.187 11.629 ( 0.000 -1.838 -7.578) 7.798 11.811 ( 0.000 -0.407 -0.206) 0.456 11.937 ( 0.000 -6.048 -13.320) 14.629 12.243 ( 0.000 -6.495 -3.589) 7.421 12.626 ( 0.000 3.198 -1.009) 3.354 12.685 ( -0.000 5.689 7.633) 9.520 13.591 ( 0.000 6.173 -14.323) 15.596 13.918 ( -0.000 -2.659 -25.854) 25.990 13.941 ( 0.000 -3.775 -16.443) 16.871 14.046 ( 0.000 -11.175 -12.808) 16.997 14.530 ( 0.000 -6.845 -23.780) 24.745 14.815 ( 0.000 -15.453 -25.363) 29.699 16.144 ( 0.000 15.330 17.046) 22.926 16.505 ( 0.000 3.073 13.908) 14.243 17.363 ( 0.000 -1.910 9.136) 9.333 17.518 ( -0.000 -5.545 8.007) 9.740 18.966 ( 0.000 -0.698 -15.027) 15.043 19.102 ( 0.000 -6.342 -14.509) 15.834 19.988 ( 0.000 -1.426 17.100) 17.159 20.031 ( 0.000 -3.955 16.915) 17.371 21.283 ( -0.000 -0.324 -4.174) 4.187 21.330 ( 0.000 0.664 -8.832) 8.857 21.766 ( 0.000 -4.198 -0.197) 4.203 21.842 ( -0.000 -3.398 -5.959) 6.860 23.162 ( -0.000 4.805 5.772) 7.511 23.169 ( 0.000 3.974 5.283) 6.611 24.350 ( 0.000 2.943 11.269) 11.647 24.359 ( 0.000 2.452 9.530) 9.840 24.687 ( -0.000 3.720 7.960) 8.786 24.699 ( 0.000 3.107 8.100) 8.676 25.999 ( 0.000 -2.507 -2.891) 3.826 26.004 ( 0.000 -3.165 -3.983) 5.087 27.416 ( 0.000 -0.813 -4.099) 4.179 27.551 ( -0.000 -6.817 -4.602) 8.225 28.046 ( 0.000 -0.784 -1.561) 1.747 28.119 ( 0.000 -3.582 -1.333) 3.822 28.750 ( -0.000 3.523 10.375) 10.957 28.763 ( 0.000 3.370 9.849) 10.409 29.291 ( 0.000 2.691 13.138) 13.411 29.398 ( 0.000 -0.289 13.414) 13.418 29.508 ( 0.000 1.328 8.080) 8.188 29.532 ( -0.000 1.111 10.437) 10.496 31.306 ( 0.000 5.874 -12.730) 14.019 31.385 ( 0.000 1.155 -13.372) 13.422 ======================= Grid point 190 (70/108) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 0.000 2.628) 2.628 2.163 ( 0.000 0.000 -1.780) 1.780 2.412 ( 0.000 0.000 -8.958) 8.958 2.498 ( 0.000 0.000 -4.935) 4.935 2.667 ( 0.000 0.000 -0.398) 0.398 2.724 ( 0.000 0.000 -5.227) 5.227 4.160 ( 0.000 0.000 6.726) 6.726 4.168 ( 0.000 0.000 5.236) 5.236 4.673 ( 0.000 0.000 -3.256) 3.256 4.778 ( 0.000 0.000 -3.953) 3.953 5.522 ( 0.000 0.000 6.020) 6.020 5.751 ( 0.000 0.000 14.334) 14.334 5.776 ( 0.000 0.000 35.686) 35.686 5.908 ( 0.000 0.000 25.048) 25.048 6.222 ( 0.000 0.000 6.296) 6.296 6.733 ( 0.000 0.000 15.546) 15.546 6.942 ( 0.000 0.000 -7.021) 7.021 7.306 ( 0.000 0.000 8.945) 8.945 8.039 ( 0.000 0.000 -12.094) 12.094 8.289 ( 0.000 0.000 1.719) 1.719 8.598 ( 0.000 0.000 1.878) 1.878 9.000 ( 0.000 0.000 8.058) 8.058 9.505 ( 0.000 0.000 3.342) 3.342 9.737 ( 0.000 0.000 7.219) 7.219 9.890 ( 0.000 -0.000 -26.346) 26.346 10.031 ( 0.000 0.000 1.913) 1.913 10.113 ( 0.000 0.000 0.858) 0.858 10.382 ( 0.000 0.000 2.043) 2.043 11.112 ( 0.000 0.000 5.497) 5.497 11.407 ( 0.000 0.000 -9.974) 9.974 12.285 ( 0.000 0.000 8.896) 8.896 12.665 ( 0.000 0.000 2.498) 2.498 12.825 ( 0.000 0.000 3.865) 3.865 13.268 ( 0.000 0.000 -23.452) 23.452 13.423 ( 0.000 0.000 -12.513) 12.513 13.535 ( 0.000 0.000 -18.314) 18.314 13.696 ( 0.000 -0.000 -8.751) 8.751 14.317 ( 0.000 0.000 -21.525) 21.525 14.414 ( 0.000 0.000 -26.750) 26.750 14.468 ( 0.000 0.000 -25.950) 25.950 16.107 ( 0.000 0.000 13.876) 13.876 16.878 ( 0.000 0.000 16.850) 16.850 17.011 ( 0.000 0.000 6.476) 6.476 17.596 ( 0.000 0.000 13.126) 13.126 19.026 ( 0.000 0.000 -19.016) 19.016 19.143 ( 0.000 0.000 -12.077) 12.077 19.880 ( 0.000 0.000 16.475) 16.475 20.103 ( 0.000 0.000 16.927) 16.927 21.077 ( 0.000 0.000 -3.391) 3.391 21.432 ( 0.000 0.000 1.063) 1.063 21.535 ( 0.000 0.000 -10.570) 10.570 21.808 ( 0.000 0.000 -11.626) 11.626 22.968 ( 0.000 0.000 12.726) 12.726 23.913 ( 0.000 0.000 18.549) 18.549 23.944 ( 0.000 0.000 -5.470) 5.470 24.422 ( 0.000 0.000 5.348) 5.348 24.617 ( 0.000 0.000 15.065) 15.065 25.002 ( 0.000 0.000 3.838) 3.838 25.876 ( 0.000 0.000 -2.346) 2.346 25.941 ( 0.000 0.000 -3.394) 3.394 27.518 ( 0.000 0.000 -3.265) 3.265 27.523 ( 0.000 -0.000 -6.369) 6.369 27.888 ( 0.000 0.000 2.257) 2.257 28.149 ( 0.000 0.000 -3.379) 3.379 28.725 ( 0.000 0.000 10.082) 10.082 28.880 ( 0.000 0.000 9.441) 9.441 29.207 ( 0.000 0.000 17.305) 17.305 29.399 ( 0.000 0.000 17.828) 17.828 29.505 ( 0.000 0.000 5.613) 5.613 29.668 ( 0.000 0.000 6.153) 6.153 31.107 ( 0.000 0.000 -9.641) 9.641 31.605 ( 0.000 0.000 -15.899) 15.899 ======================= Grid point 192 (71/108) ======================= q-point: ( 0.25 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 2.592 0.000 1.907) 3.218 2.123 ( -3.350 0.000 -1.161) 3.545 2.427 ( 1.273 0.000 -8.248) 8.346 2.490 ( -0.843 0.000 -5.435) 5.500 2.676 ( 0.821 0.000 -0.767) 1.124 2.717 ( -0.649 0.000 -4.044) 4.096 4.179 ( 2.156 0.000 2.156) 3.049 4.289 ( 11.006 0.000 11.093) 15.626 4.464 ( -11.022 0.000 -2.781) 11.367 4.854 ( -3.091 0.000 3.244) 4.481 5.594 ( 5.744 0.000 5.330) 7.836 5.685 ( -2.650 0.000 25.098) 25.237 5.785 ( -0.048 0.000 14.205) 14.205 5.887 ( -3.639 0.000 13.601) 14.079 6.287 ( 7.326 0.000 18.687) 20.072 6.597 ( -4.318 0.000 10.770) 11.603 7.158 ( 9.033 0.000 -0.543) 9.050 7.304 ( -0.568 -0.000 6.278) 6.304 7.997 ( -1.859 0.000 -7.860) 8.077 8.398 ( -15.787 0.000 -4.766) 16.491 8.402 ( 11.377 -0.000 0.605) 11.393 9.003 ( -3.932 0.000 5.092) 6.433 9.456 ( -2.453 0.000 3.357) 4.158 9.496 ( -12.040 -0.000 2.658) 12.330 9.784 ( 0.590 0.000 0.001) 0.590 10.108 ( -7.510 0.000 7.044) 10.296 10.322 ( 9.483 0.000 -1.871) 9.666 10.514 ( 16.315 0.000 -8.208) 18.263 11.356 ( 18.051 -0.000 2.032) 18.165 11.484 ( 8.374 0.000 -12.518) 15.061 12.210 ( -7.405 0.000 4.051) 8.440 12.377 ( -19.997 0.000 1.148) 20.030 12.776 ( -5.316 0.000 4.990) 7.291 12.965 ( -16.862 0.000 -12.500) 20.990 13.610 ( 8.290 0.000 -17.681) 19.528 13.663 ( 11.019 0.000 -15.318) 18.870 13.755 ( 2.344 0.000 -13.289) 13.494 14.189 ( -9.788 0.000 -18.694) 21.101 14.476 ( 4.809 0.000 -27.703) 28.117 14.533 ( 3.371 0.000 -28.288) 28.488 16.191 ( 7.700 0.000 15.553) 17.355 16.692 ( -11.976 0.000 16.118) 20.080 17.182 ( 10.461 0.000 8.916) 13.745 17.548 ( -4.555 0.000 12.466) 13.272 19.000 ( -1.566 0.000 -18.310) 18.377 19.084 ( -4.569 0.000 -13.487) 14.240 19.912 ( 2.689 0.000 16.474) 16.692 20.064 ( -3.253 0.000 16.902) 17.212 21.148 ( 5.977 0.000 -4.520) 7.494 21.441 ( -4.168 0.000 -6.466) 7.693 21.571 ( 7.705 0.000 -2.834) 8.210 21.842 ( 1.204 0.000 -8.933) 9.014 22.994 ( 4.106 0.000 10.296) 11.085 23.594 ( -17.801 0.000 4.300) 18.313 24.177 ( 10.320 0.000 9.497) 14.025 24.480 ( 2.117 0.000 5.870) 6.241 24.587 ( 0.061 0.000 14.119) 14.119 24.919 ( -7.145 0.000 4.786) 8.600 25.914 ( 3.065 0.000 -2.764) 4.127 25.968 ( 1.690 0.000 -3.627) 4.001 27.471 ( -3.177 0.000 -4.945) 5.878 27.486 ( -2.583 -0.000 -3.438) 4.300 27.956 ( 5.035 0.000 0.516) 5.061 28.129 ( -1.966 0.000 -2.855) 3.466 28.745 ( 1.672 0.000 10.162) 10.299 28.847 ( -2.551 0.000 10.028) 10.347 29.261 ( 4.336 0.000 16.174) 16.745 29.395 ( -0.563 0.000 16.811) 16.820 29.510 ( 0.493 0.000 6.707) 6.725 29.617 ( -4.070 0.000 7.224) 8.292 31.195 ( 7.456 0.000 -10.957) 13.253 31.543 ( -5.569 0.000 -15.258) 16.242 ======================= Grid point 194 (72/108) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -3.117 -1.114 0.324) 3.326 2.039 ( 3.117 1.114 0.324) 3.326 2.461 ( -0.274 -5.197 -6.743) 8.518 2.461 ( 0.274 5.197 -6.743) 8.518 2.698 ( -0.227 -2.426 -1.991) 3.147 2.698 ( 0.227 2.426 -1.991) 3.147 4.270 ( -5.016 -1.887 -0.371) 5.372 4.270 ( 5.016 1.887 -0.371) 5.372 4.604 ( -15.234 -1.320 12.975) 20.054 4.604 ( 15.234 1.320 12.975) 20.054 5.710 ( -0.372 -5.937 3.673) 6.991 5.710 ( 0.372 5.937 3.673) 6.991 5.765 ( -0.776 -9.703 15.173) 18.026 5.765 ( 0.776 9.703 15.173) 18.026 6.489 ( -2.754 -11.383 21.367) 24.366 6.489 ( 2.754 11.383 21.367) 24.366 7.266 ( -0.332 -12.763 -0.077) 12.768 7.266 ( 0.332 12.763 -0.077) 12.768 8.078 ( -10.620 -0.023 -8.246) 13.445 8.078 ( 10.620 0.023 -8.246) 13.445 8.738 ( -13.939 -3.906 1.546) 14.559 8.738 ( 13.939 3.907 1.546) 14.559 9.422 ( -0.096 -5.152 6.332) 8.164 9.422 ( 0.096 5.152 6.332) 8.164 9.875 ( -7.028 -1.848 5.418) 9.064 9.875 ( 7.028 1.848 5.418) 9.064 10.590 ( -6.839 -1.594 -3.497) 7.845 10.590 ( 6.839 1.594 -3.497) 7.845 11.684 ( -0.350 -6.777 -9.764) 11.890 11.684 ( 0.350 6.777 -9.764) 11.890 12.032 ( -0.112 -10.572 -0.687) 10.595 12.032 ( 0.112 10.572 -0.687) 10.595 12.727 ( -1.958 -2.058 1.717) 3.319 12.727 ( 1.958 2.058 1.717) 3.319 13.738 ( -0.670 -9.102 -17.147) 19.424 13.738 ( 0.670 9.102 -17.147) 19.424 13.937 ( -11.866 -1.209 -15.602) 19.639 13.937 ( 11.866 1.209 -15.602) 19.639 14.557 ( -0.145 -8.631 -29.272) 30.518 14.557 ( 0.145 8.631 -29.272) 30.518 16.418 ( -6.547 -8.956 17.235) 20.497 16.418 ( 6.547 8.956 17.235) 20.497 17.400 ( -6.053 -3.754 10.676) 12.834 17.400 ( 6.053 3.754 10.676) 12.834 19.001 ( -0.637 -3.444 -16.267) 16.639 19.001 ( 0.637 3.444 -16.267) 16.639 19.984 ( -3.413 -0.416 16.681) 17.032 19.984 ( 3.413 0.416 16.681) 17.032 21.301 ( -6.684 -0.964 -6.665) 9.488 21.301 ( 6.684 0.964 -6.665) 9.488 21.771 ( -6.437 -1.859 -3.402) 7.515 21.771 ( 6.437 1.859 -3.402) 7.515 23.211 ( -15.859 -0.000 5.192) 16.688 23.211 ( 15.859 0.000 5.192) 16.688 24.379 ( -8.284 -0.007 11.352) 14.053 24.379 ( 8.284 0.007 11.352) 14.053 24.731 ( -9.495 -0.020 6.849) 11.708 24.731 ( 9.495 0.020 6.849) 11.708 25.973 ( -1.599 -0.000 -3.505) 3.853 25.973 ( 1.599 0.000 -3.505) 3.853 27.441 ( -0.075 -3.433 -3.858) 5.165 27.441 ( 0.075 3.433 -3.858) 5.165 28.062 ( -3.114 -1.351 -1.480) 3.703 28.062 ( 3.114 1.351 -1.480) 3.703 28.791 ( -2.362 -0.151 10.311) 10.579 28.791 ( 2.362 0.151 10.311) 10.579 29.356 ( -1.725 -2.795 15.341) 15.688 29.356 ( 1.725 2.795 15.341) 15.688 29.537 ( -2.136 -0.405 8.216) 8.499 29.537 ( 2.136 0.405 8.216) 8.499 31.382 ( -8.320 -0.632 -13.418) 15.800 31.382 ( 8.320 0.632 -13.418) 15.800 ======================= Grid point 220 (73/108) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 0.000 0.296) 0.296 2.090 ( 0.000 0.000 -9.953) 9.953 2.238 ( 0.000 0.000 8.777) 8.777 2.312 ( 0.000 0.000 2.491) 2.491 2.898 ( 0.000 0.000 10.792) 10.792 3.205 ( 0.000 0.000 3.217) 3.217 3.294 ( 0.000 0.000 20.596) 20.596 3.851 ( 0.000 0.000 22.890) 22.890 4.358 ( 0.000 0.000 -15.391) 15.391 4.876 ( 0.000 0.000 25.630) 25.630 5.063 ( 0.000 0.000 -10.624) 10.624 5.090 ( 0.000 0.000 3.288) 3.288 5.277 ( 0.000 0.000 1.014) 1.014 5.715 ( 0.000 0.000 6.627) 6.627 5.826 ( 0.000 0.000 5.716) 5.716 6.035 ( 0.000 0.000 -0.930) 0.930 6.167 ( 0.000 0.000 8.976) 8.976 6.830 ( 0.000 0.000 -0.631) 0.631 7.963 ( 0.000 0.000 12.433) 12.433 8.186 ( 0.000 0.000 9.540) 9.540 8.460 ( 0.000 0.000 6.733) 6.733 8.624 ( 0.000 0.000 1.986) 1.986 9.283 ( 0.000 0.000 6.701) 6.701 9.434 ( 0.000 0.000 0.459) 0.459 9.964 ( 0.000 0.000 -2.922) 2.922 10.310 ( 0.000 0.000 -16.753) 16.753 10.424 ( 0.000 0.000 3.005) 3.005 11.175 ( 0.000 0.000 -4.985) 4.985 11.561 ( 0.000 0.000 -14.710) 14.710 11.991 ( 0.000 0.000 -19.979) 19.979 12.024 ( 0.000 0.000 -16.158) 16.158 12.107 ( 0.000 0.000 10.887) 10.887 12.352 ( 0.000 0.000 -16.982) 16.982 13.059 ( 0.000 0.000 -7.742) 7.742 13.687 ( 0.000 0.000 4.194) 4.194 14.006 ( 0.000 0.000 -0.553) 0.553 14.066 ( 0.000 0.000 10.538) 10.538 14.636 ( 0.000 0.000 3.863) 3.863 14.967 ( 0.000 0.000 -2.606) 2.606 15.135 ( 0.000 0.000 0.125) 0.125 15.553 ( 0.000 0.000 -0.251) 0.251 16.025 ( 0.000 0.000 2.828) 2.828 16.813 ( 0.000 0.000 -28.729) 28.729 17.146 ( 0.000 0.000 -30.095) 30.095 19.575 ( 0.000 0.000 0.021) 0.021 19.627 ( 0.000 0.000 -1.044) 1.044 20.352 ( 0.000 0.000 9.347) 9.347 20.635 ( 0.000 0.000 -2.938) 2.938 21.286 ( 0.000 0.000 -0.633) 0.633 21.356 ( 0.000 0.000 -2.470) 2.470 22.300 ( 0.000 0.000 18.320) 18.320 22.659 ( 0.000 0.000 7.367) 7.367 23.135 ( 0.000 0.000 14.879) 14.879 23.337 ( 0.000 0.000 3.045) 3.045 23.410 ( 0.000 0.000 6.189) 6.189 23.753 ( 0.000 0.000 -3.772) 3.772 24.438 ( 0.000 0.000 8.860) 8.860 24.884 ( 0.000 0.000 2.805) 2.805 26.178 ( 0.000 0.000 -1.664) 1.664 26.284 ( 0.000 0.000 -3.127) 3.127 27.512 ( 0.000 0.000 7.072) 7.072 27.873 ( 0.000 0.000 6.964) 6.964 28.140 ( 0.000 0.000 -0.895) 0.895 28.328 ( 0.000 0.000 -12.764) 12.764 28.497 ( 0.000 0.000 2.885) 2.885 28.600 ( 0.000 0.000 4.695) 4.695 28.780 ( 0.000 0.000 -4.462) 4.462 28.950 ( 0.000 0.000 -6.943) 6.943 29.795 ( 0.000 0.000 14.541) 14.541 30.328 ( 0.000 0.000 8.125) 8.125 30.392 ( 0.000 0.000 -0.755) 0.755 31.035 ( 0.000 0.000 -10.782) 10.782 ======================= Grid point 221 (74/108) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.816 0.000 0.661) 1.050 2.027 ( -4.582 0.000 -5.510) 7.166 2.265 ( 1.646 0.000 6.110) 6.328 2.307 ( -0.429 0.000 2.874) 2.906 2.933 ( 2.983 0.000 8.614) 9.116 3.105 ( -4.673 0.000 4.630) 6.578 3.528 ( 15.701 0.000 15.065) 21.760 3.890 ( 3.211 0.000 19.461) 19.724 4.263 ( -7.130 0.000 -3.853) 8.104 4.527 ( -17.954 0.000 16.198) 24.181 5.184 ( 6.665 0.000 -0.429) 6.679 5.197 ( 1.286 0.000 7.543) 7.652 5.504 ( 16.449 0.000 -7.601) 18.120 5.626 ( -7.673 0.000 8.247) 11.264 5.738 ( -3.782 0.000 5.592) 6.751 6.018 ( -1.054 0.000 -2.760) 2.954 6.337 ( 12.896 0.000 8.351) 15.363 6.881 ( 0.211 0.000 -2.629) 2.638 7.609 ( -12.808 0.000 12.566) 17.943 8.156 ( -20.890 0.000 0.175) 20.891 8.515 ( 14.601 0.000 11.663) 18.687 8.711 ( 2.852 0.000 13.635) 13.930 9.366 ( 5.802 0.000 1.061) 5.898 9.459 ( 1.503 0.000 -0.419) 1.561 9.963 ( 0.435 0.000 -3.274) 3.303 10.128 ( -8.397 0.000 -8.449) 11.912 10.651 ( 12.545 0.000 -3.202) 12.948 11.092 ( -7.078 0.000 -4.654) 8.471 11.499 ( -3.347 0.000 -11.888) 12.351 11.723 ( -12.994 0.000 -12.517) 18.042 12.207 ( 7.076 0.000 2.644) 7.554 12.222 ( 7.259 0.000 -20.751) 21.984 12.462 ( 9.370 0.000 -14.211) 17.022 12.983 ( -8.268 0.000 -6.488) 10.510 13.684 ( 2.584 0.000 0.781) 2.699 13.955 ( -4.761 0.000 -2.651) 5.449 14.174 ( 7.671 0.000 9.840) 12.476 14.522 ( -8.345 0.000 3.066) 8.890 15.043 ( 4.952 0.000 1.950) 5.322 15.130 ( -0.284 0.000 0.114) 0.306 15.588 ( 3.492 0.000 -0.574) 3.538 15.923 ( -8.520 0.000 2.930) 9.010 16.879 ( 5.470 0.000 -28.373) 28.896 17.111 ( -3.277 0.000 -29.584) 29.765 19.575 ( 0.168 0.000 0.067) 0.181 19.613 ( -1.176 0.000 -0.684) 1.360 20.426 ( 6.525 0.000 8.076) 10.383 20.658 ( 0.988 0.000 -2.247) 2.455 21.209 ( -10.055 0.000 0.900) 10.095 21.212 ( -5.889 0.000 -0.560) 5.916 22.427 ( 10.224 0.000 17.239) 20.043 22.726 ( 4.312 0.000 8.107) 9.183 23.045 ( -6.124 0.000 14.126) 15.396 23.234 ( -7.488 0.000 4.776) 8.881 23.552 ( 10.225 0.000 3.924) 10.952 23.814 ( 3.207 0.000 -2.307) 3.950 24.397 ( -1.686 0.000 7.434) 7.623 24.735 ( -11.765 0.000 3.238) 12.203 26.259 ( 6.536 0.000 -1.781) 6.774 26.375 ( 5.215 0.000 -4.367) 6.802 27.523 ( 2.491 0.000 4.209) 4.891 27.821 ( -5.263 0.000 2.967) 6.042 28.193 ( 3.910 0.000 -0.317) 3.922 28.298 ( -1.920 0.000 -7.428) 7.672 28.501 ( 0.069 0.000 2.931) 2.931 28.551 ( -3.154 0.000 4.972) 5.888 28.832 ( 3.515 0.000 -4.882) 6.016 28.935 ( -1.267 0.000 -6.565) 6.687 29.803 ( 1.336 0.000 12.623) 12.694 30.081 ( -11.516 0.000 6.046) 13.007 30.649 ( 12.416 0.000 0.539) 12.427 31.001 ( -3.439 0.000 -8.461) 9.133 ======================= Grid point 222 (75/108) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -2.926 0.000 -0.803) 3.034 1.939 ( 2.926 0.000 -0.803) 3.034 2.293 ( -0.701 0.000 4.047) 4.108 2.293 ( 0.701 0.000 4.047) 4.108 3.012 ( -3.029 0.000 5.216) 6.032 3.012 ( 3.029 0.000 5.216) 6.032 3.852 ( -6.464 0.000 9.074) 11.141 3.852 ( 6.464 0.000 9.074) 11.141 4.224 ( -3.715 0.000 16.600) 17.011 4.224 ( 3.715 0.000 16.600) 17.011 5.247 ( -0.540 0.000 4.417) 4.450 5.247 ( 0.540 0.000 4.417) 4.450 5.542 ( -1.801 0.000 1.659) 2.448 5.542 ( 1.801 0.000 1.659) 2.448 5.917 ( -6.996 0.000 -2.117) 7.309 5.917 ( 6.996 0.000 -2.117) 7.309 6.663 ( -15.792 0.000 3.798) 16.242 6.663 ( 15.792 0.000 3.798) 16.242 7.704 ( -17.827 0.000 3.667) 18.200 7.704 ( 17.827 0.000 3.667) 18.200 8.709 ( -3.059 0.000 15.997) 16.286 8.709 ( 3.059 0.000 15.997) 16.286 9.459 ( -1.300 0.000 -2.764) 3.054 9.459 ( 1.300 0.000 -2.764) 3.054 10.002 ( -0.501 0.000 -5.188) 5.212 10.002 ( 0.501 0.000 -5.188) 5.212 10.901 ( -6.194 0.000 -3.091) 6.923 10.901 ( 6.194 0.000 -3.091) 6.923 11.510 ( -3.016 0.000 -10.240) 10.675 11.510 ( 3.016 0.000 -10.240) 10.675 12.302 ( -0.009 0.000 -14.891) 14.891 12.302 ( 0.009 0.000 -14.891) 14.891 12.724 ( -11.825 0.000 -5.603) 13.085 12.724 ( 11.825 0.000 -5.603) 13.085 13.812 ( -2.932 0.000 -4.575) 5.435 13.812 ( 2.932 0.000 -4.575) 5.435 14.342 ( -3.961 0.000 7.302) 8.307 14.342 ( 3.961 0.000 7.302) 8.307 15.117 ( -0.126 0.000 1.701) 1.706 15.117 ( 0.126 0.000 1.701) 1.706 15.720 ( -4.945 0.000 1.644) 5.211 15.720 ( 4.945 0.000 1.644) 5.211 17.010 ( -3.180 0.000 -28.632) 28.808 17.010 ( 3.180 0.000 -28.632) 28.808 19.587 ( -0.225 0.000 -0.124) 0.257 19.587 ( 0.225 0.000 -0.124) 0.257 20.595 ( -6.413 0.000 3.323) 7.223 20.595 ( 6.413 0.000 3.323) 7.223 21.103 ( -0.599 0.000 0.770) 0.975 21.103 ( 0.599 0.000 0.770) 0.975 22.668 ( -8.210 0.000 14.950) 17.056 22.668 ( 8.210 0.000 14.950) 17.056 23.055 ( -6.048 0.000 7.473) 9.614 23.055 ( 6.048 0.000 7.473) 9.614 23.769 ( -5.206 0.000 1.371) 5.383 23.769 ( 5.206 0.000 1.371) 5.383 24.480 ( -9.375 0.000 4.148) 10.252 24.480 ( 9.375 0.000 4.148) 10.252 26.392 ( -4.028 0.000 -3.099) 5.082 26.392 ( 4.028 0.000 -3.099) 5.082 27.655 ( -5.980 0.000 -0.410) 5.994 27.655 ( 5.980 0.000 -0.410) 5.994 28.262 ( -0.917 0.000 -1.058) 1.400 28.262 ( 0.917 0.000 -1.058) 1.400 28.505 ( -0.262 0.000 4.437) 4.444 28.505 ( 0.262 0.000 4.437) 4.444 28.897 ( -2.060 0.000 -5.794) 6.150 28.897 ( 2.060 0.000 -5.794) 6.150 29.883 ( -5.411 0.000 8.761) 10.297 29.883 ( 5.411 0.000 8.761) 10.297 30.875 ( -4.922 0.000 -3.607) 6.102 30.875 ( 4.922 0.000 -3.607) 6.102 ======================= Grid point 225 (76/108) ======================= q-point: ( 0.00 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 0.212 0.397) 0.450 2.086 ( 0.000 -0.206 -8.526) 8.528 2.213 ( 0.000 -2.410 8.613) 8.944 2.317 ( 0.000 0.608 2.227) 2.309 2.875 ( 0.000 -1.953 8.897) 9.109 3.153 ( 0.000 -4.749 1.731) 5.055 3.409 ( 0.000 10.522 18.364) 21.165 4.035 ( 0.000 15.697 18.960) 24.614 4.230 ( 0.000 -5.816 -6.626) 8.816 4.919 ( 0.000 -8.291 -1.599) 8.444 5.170 ( 0.000 2.459 -4.401) 5.042 5.243 ( 0.000 28.348 16.285) 32.693 5.286 ( 0.000 2.268 2.326) 3.249 5.751 ( 0.000 2.677 8.131) 8.560 5.905 ( 0.000 8.834 7.401) 11.524 6.195 ( 0.000 3.921 11.033) 11.709 6.245 ( 0.000 17.300 -1.744) 17.387 6.873 ( 0.000 3.948 -4.055) 5.659 7.898 ( 0.000 -5.486 13.692) 14.750 8.247 ( 0.000 5.796 10.120) 11.662 8.434 ( 0.000 -2.341 4.508) 5.080 8.632 ( 0.000 0.673 3.217) 3.286 9.307 ( 0.000 2.321 7.521) 7.871 9.336 ( 0.000 -8.270 0.007) 8.270 9.974 ( 0.000 0.527 -2.648) 2.700 10.337 ( 0.000 -6.427 1.891) 6.699 10.348 ( 0.000 2.325 -15.700) 15.872 11.173 ( 0.000 -3.382 -9.082) 9.691 11.629 ( 0.000 9.000 -8.547) 12.412 11.728 ( 0.000 -16.135 -0.341) 16.139 12.130 ( 0.000 9.218 -15.590) 18.111 12.209 ( 0.000 -2.962 -18.737) 18.970 12.343 ( 0.000 2.803 -4.927) 5.668 12.960 ( 0.000 -7.228 -9.976) 12.319 13.560 ( 0.000 -11.042 7.830) 13.536 13.961 ( 0.000 -4.335 -4.341) 6.135 14.014 ( 0.000 -5.301 9.579) 10.948 14.712 ( 0.000 4.435 -3.634) 5.734 14.804 ( 0.000 -11.734 -2.109) 11.922 15.173 ( 0.000 -1.894 -7.381) 7.620 15.557 ( 0.000 1.965 5.902) 6.220 16.121 ( 0.000 9.929 6.425) 11.827 16.856 ( 0.000 3.916 -26.376) 26.665 17.232 ( 0.000 7.990 -27.523) 28.660 19.396 ( 0.000 -11.866 3.739) 12.441 19.683 ( 0.000 -0.205 -4.991) 4.995 20.320 ( 0.000 -2.115 10.507) 10.718 20.719 ( 0.000 6.793 -4.136) 7.953 21.111 ( 0.000 -12.244 4.731) 13.127 21.429 ( 0.000 2.623 -6.390) 6.907 22.036 ( 0.000 -19.302 16.687) 25.515 22.586 ( 0.000 -10.163 2.361) 10.433 23.078 ( 0.000 -3.278 13.401) 13.796 23.378 ( 0.000 3.116 2.101) 3.758 23.548 ( 0.000 12.898 8.522) 15.459 23.892 ( 0.000 11.153 -0.729) 11.177 24.530 ( 0.000 8.029 8.929) 12.008 24.906 ( 0.000 1.981 4.241) 4.681 26.102 ( 0.000 -6.191 -0.473) 6.209 26.266 ( 0.000 -2.491 -4.066) 4.769 27.447 ( 0.000 -5.155 6.755) 8.497 27.886 ( 0.000 1.083 6.212) 6.305 28.156 ( 0.000 1.049 -1.743) 2.034 28.323 ( 0.000 -3.086 -15.847) 16.144 28.517 ( 0.000 2.493 4.812) 5.420 28.642 ( 0.000 5.027 7.080) 8.683 28.858 ( 0.000 7.087 -4.148) 8.212 29.033 ( 0.000 7.984 -6.202) 10.109 29.777 ( 0.000 -1.530 15.625) 15.700 30.235 ( 0.000 -7.717 12.135) 14.381 30.448 ( 0.000 5.175 -2.789) 5.879 31.078 ( 0.000 3.390 -13.133) 13.564 ======================= Grid point 226 (77/108) ======================= q-point: ( 0.25 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.968 0.292 0.588) 1.170 2.033 ( -3.944 0.659 -5.249) 6.598 2.243 ( 1.973 -2.074 6.226) 6.852 2.312 ( -0.482 0.524 2.613) 2.708 2.908 ( 2.845 -2.014 7.373) 8.155 3.092 ( -4.063 -2.209 2.819) 5.416 3.554 ( 10.776 4.555 14.202) 18.401 4.000 ( -5.344 2.517 5.308) 7.941 4.227 ( 3.977 9.005 12.904) 16.231 4.757 ( -14.761 12.327 9.145) 21.295 5.132 ( 4.314 -2.891 -1.477) 5.399 5.251 ( 1.262 2.287 1.014) 2.802 5.481 ( 6.164 7.643 6.409) 11.726 5.729 ( -3.987 5.678 4.343) 8.185 5.909 ( 4.042 15.560 7.754) 17.849 6.223 ( -0.105 15.415 0.310) 15.419 6.333 ( 10.487 1.945 6.804) 12.652 6.878 ( -3.251 -0.145 -3.796) 5.000 7.644 ( -9.036 3.374 10.711) 14.414 8.162 ( -18.912 0.606 -0.473) 18.928 8.507 ( 12.349 0.198 12.873) 17.840 8.687 ( 1.906 -2.336 13.004) 13.349 9.333 ( 4.266 -4.964 -1.401) 6.693 9.469 ( 7.536 2.262 2.828) 8.361 9.883 ( -9.255 -4.305 -4.903) 11.324 10.135 ( -2.710 -2.855 -1.370) 4.168 10.654 ( 13.041 1.855 -7.596) 15.205 11.099 ( -5.512 -1.422 -6.757) 8.835 11.532 ( -4.957 3.029 -8.606) 10.383 11.770 ( -5.067 1.744 -8.262) 9.848 12.001 ( 2.027 -6.585 -6.942) 9.781 12.328 ( 3.394 -1.226 -16.224) 16.621 12.459 ( 8.499 0.430 -9.921) 13.071 12.886 ( -6.419 -6.458 -9.451) 13.124 13.561 ( 0.423 -10.047 5.209) 11.325 13.903 ( -3.473 -6.077 -3.215) 7.702 14.103 ( 5.732 -6.022 5.711) 10.087 14.553 ( -7.723 -0.168 -3.288) 8.395 14.938 ( 4.641 -5.438 0.616) 7.176 15.204 ( 3.565 -0.445 -8.203) 8.955 15.579 ( 2.088 1.594 5.757) 6.328 16.020 ( -8.115 9.994 6.967) 14.638 16.917 ( 4.739 3.954 -26.220) 26.936 17.202 ( -2.587 8.114 -26.510) 27.844 19.421 ( 2.296 -10.900 2.908) 11.512 19.626 ( -4.492 -2.647 -3.080) 6.056 20.405 ( 7.149 -1.624 9.120) 11.701 20.729 ( -0.680 5.372 -2.617) 6.014 21.039 ( -4.290 -9.872 4.394) 11.626 21.289 ( -9.855 1.639 -3.924) 10.733 22.198 ( 12.389 -16.908 14.924) 25.731 22.643 ( 2.703 -10.918 3.945) 11.920 22.994 ( -4.982 -2.119 12.251) 13.394 23.246 ( -9.111 1.134 4.155) 10.077 23.696 ( 9.963 12.869 5.720) 17.251 23.953 ( 3.700 11.029 0.369) 11.639 24.486 ( -2.301 7.751 7.905) 11.308 24.774 ( -10.445 3.465 4.462) 11.875 26.189 ( 6.882 -6.017 -0.902) 9.186 26.333 ( 3.729 -4.216 -4.260) 7.059 27.466 ( 2.802 -4.459 3.883) 6.543 27.830 ( -5.444 0.333 2.135) 5.857 28.192 ( 2.674 -0.437 -2.673) 3.806 28.305 ( -1.048 -1.407 -9.053) 9.222 28.520 ( 0.165 2.721 5.143) 5.821 28.605 ( -2.575 5.304 7.123) 9.247 28.897 ( 3.012 6.379 -4.613) 8.428 29.015 ( -1.644 7.514 -5.801) 9.634 29.793 ( 1.821 -0.760 14.107) 14.244 30.065 ( -9.682 -2.022 9.209) 13.515 30.632 ( 10.667 -0.039 -0.713) 10.691 31.043 ( -3.162 3.181 -11.256) 12.117 ======================= Grid point 227 (78/108) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 0.085 -1.111) 1.115 1.959 ( -0.000 1.809 -1.158) 2.148 2.273 ( 0.000 -1.675 4.180) 4.503 2.300 ( 0.000 0.439 3.718) 3.744 2.965 ( 0.000 -2.483 5.322) 5.873 3.024 ( -0.000 -1.197 3.682) 3.872 3.751 ( -0.000 -0.061 9.237) 9.237 3.860 ( 0.000 -3.789 4.837) 6.144 4.383 ( -0.000 19.090 18.751) 26.759 4.491 ( 0.000 15.057 13.451) 20.191 5.149 ( -0.000 -3.963 2.784) 4.843 5.328 ( 0.000 -0.075 -3.544) 3.545 5.541 ( 0.000 7.315 8.591) 11.283 5.615 ( -0.000 6.836 2.785) 7.382 6.030 ( -0.000 13.509 4.398) 14.207 6.204 ( 0.000 19.116 -0.758) 19.131 6.596 ( -0.000 -2.038 4.882) 5.290 6.671 ( 0.000 -1.742 0.807) 1.920 7.720 ( 0.000 2.068 -0.157) 2.074 7.780 ( -0.000 6.838 4.314) 8.085 8.665 ( 0.000 -1.838 20.082) 20.166 8.687 ( -0.000 -3.591 11.237) 11.797 9.446 ( 0.000 -1.289 -4.108) 4.306 9.520 ( 0.000 3.259 -1.512) 3.593 9.744 ( 0.000 -10.896 -1.515) 11.000 10.132 ( 0.000 -0.240 -0.851) 0.884 10.825 ( -0.000 1.296 -6.567) 6.693 11.014 ( 0.000 2.930 -4.111) 5.048 11.474 ( 0.000 0.338 -11.429) 11.434 11.652 ( 0.000 8.378 -7.223) 11.062 12.093 ( 0.000 -10.774 -10.851) 15.291 12.350 ( 0.000 -4.460 -10.370) 11.288 12.594 ( -0.000 -7.356 -8.962) 11.594 12.768 ( 0.000 1.457 -12.329) 12.415 13.570 ( 0.000 -12.338 3.739) 12.892 13.857 ( 0.000 -5.249 -5.309) 7.466 14.184 ( 0.000 -8.446 2.520) 8.814 14.455 ( 0.000 2.409 0.138) 2.412 14.975 ( 0.000 -5.656 0.364) 5.667 15.269 ( -0.000 1.801 -8.023) 8.223 15.626 ( 0.000 -0.392 5.332) 5.346 15.887 ( 0.000 11.490 8.740) 14.436 16.992 ( -0.000 3.173 -27.294) 27.478 17.155 ( 0.000 8.948 -24.569) 26.147 19.471 ( 0.000 -9.057 1.465) 9.174 19.548 ( 0.000 -5.701 -0.901) 5.772 20.562 ( 0.000 -1.933 6.768) 7.039 20.640 ( -0.000 1.026 3.643) 3.785 21.031 ( -0.000 -2.984 0.375) 3.008 21.132 ( 0.000 0.468 -2.577) 2.619 22.427 ( -0.000 -16.785 14.180) 21.973 22.587 ( 0.000 -10.109 9.593) 13.936 23.032 ( 0.000 0.778 5.783) 5.835 23.050 ( -0.000 -2.775 6.270) 6.857 23.861 ( -0.000 12.091 3.419) 12.565 23.964 ( 0.000 12.177 3.313) 12.619 24.523 ( 0.000 5.230 5.657) 7.704 24.569 ( -0.000 6.498 4.862) 8.115 26.327 ( 0.000 -5.785 -3.106) 6.567 26.330 ( -0.000 -5.695 -1.668) 5.934 27.550 ( -0.000 -4.958 -0.234) 4.964 27.712 ( 0.000 0.441 -1.556) 1.617 28.230 ( 0.000 -1.930 -4.157) 4.583 28.294 ( 0.000 0.202 -2.144) 2.154 28.522 ( 0.000 3.719 6.458) 7.452 28.569 ( 0.000 4.871 6.749) 8.323 28.956 ( -0.000 6.497 -6.206) 8.985 28.973 ( 0.000 6.443 -4.285) 7.738 29.848 ( -0.000 -0.999 12.039) 12.080 29.919 ( 0.000 0.803 9.751) 9.784 30.783 ( 0.000 -2.374 -2.095) 3.166 30.979 ( -0.000 3.992 -8.866) 9.723 ======================= Grid point 230 (79/108) ======================= q-point: ( 0.00 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 0.896 1.014) 1.354 2.090 ( 0.000 0.667 -6.089) 6.125 2.158 ( 0.000 -2.322 6.950) 7.327 2.339 ( 0.000 1.498 0.628) 1.624 2.831 ( 0.000 -2.350 4.630) 5.192 3.024 ( 0.000 -7.711 -1.254) 7.812 3.680 ( 0.000 15.216 13.887) 20.600 4.215 ( 0.000 4.078 -4.859) 6.343 4.350 ( 0.000 11.673 10.580) 15.754 4.759 ( 0.000 -6.891 0.974) 6.960 5.200 ( 0.000 2.588 -2.307) 3.467 5.424 ( 0.000 11.206 3.100) 11.627 5.780 ( 0.000 3.105 12.058) 12.451 5.858 ( 0.000 26.005 16.446) 30.769 6.176 ( 0.000 16.706 10.309) 19.631 6.372 ( 0.000 13.544 11.076) 17.496 6.601 ( 0.000 14.558 0.739) 14.576 6.990 ( 0.000 8.137 -10.622) 13.381 7.802 ( 0.000 -2.311 12.357) 12.572 8.385 ( 0.000 -1.694 -0.227) 1.709 8.398 ( 0.000 7.887 9.545) 12.382 8.629 ( 0.000 -1.723 11.538) 11.666 9.182 ( 0.000 -4.293 -4.162) 5.979 9.377 ( 0.000 4.569 9.836) 10.845 9.980 ( 0.000 0.545 -0.942) 1.088 10.222 ( 0.000 -4.595 -0.250) 4.602 10.335 ( 0.000 -4.769 -13.022) 13.867 11.028 ( 0.000 -9.537 -10.608) 14.264 11.423 ( 0.000 -13.162 4.508) 13.912 11.897 ( 0.000 15.186 -2.093) 15.330 11.984 ( 0.000 -15.433 -13.418) 20.450 12.359 ( 0.000 12.689 -14.382) 19.179 12.436 ( 0.000 4.348 -9.583) 10.523 12.856 ( 0.000 -2.288 -17.891) 18.037 13.309 ( 0.000 -12.059 11.195) 16.454 13.843 ( 0.000 -6.705 -9.950) 11.998 13.844 ( 0.000 -11.425 7.508) 13.671 14.529 ( 0.000 -15.323 -4.795) 16.056 14.687 ( 0.000 -7.950 -16.311) 18.145 15.005 ( 0.000 -13.716 -14.404) 19.890 15.704 ( 0.000 12.573 16.417) 20.678 16.404 ( 0.000 16.499 10.589) 19.605 16.950 ( 0.000 4.693 -20.259) 20.796 17.442 ( 0.000 11.889 -21.907) 24.925 19.125 ( 0.000 -14.517 5.633) 15.571 19.595 ( 0.000 -8.135 -7.831) 11.292 20.287 ( 0.000 -1.209 12.794) 12.851 20.840 ( 0.000 -13.396 11.143) 17.425 20.859 ( 0.000 6.033 -5.417) 8.109 21.442 ( 0.000 -1.222 -9.923) 9.998 21.669 ( 0.000 -14.903 12.472) 19.433 22.296 ( 0.000 -16.379 -3.071) 16.664 23.056 ( 0.000 1.215 11.593) 11.656 23.464 ( 0.000 5.730 -1.190) 5.852 23.839 ( 0.000 13.775 10.790) 17.498 24.131 ( 0.000 11.402 2.389) 11.649 24.713 ( 0.000 8.907 8.982) 12.650 24.954 ( 0.000 2.452 6.943) 7.363 25.968 ( 0.000 -6.266 0.486) 6.284 26.180 ( 0.000 -5.608 -4.728) 7.335 27.348 ( 0.000 -3.949 5.142) 6.483 27.907 ( 0.000 0.887 4.550) 4.636 28.159 ( 0.000 -0.998 -3.263) 3.412 28.164 ( 0.000 -11.757 -16.294) 20.093 28.616 ( 0.000 7.035 8.519) 11.048 28.792 ( 0.000 8.510 9.387) 12.670 29.036 ( 0.000 9.689 -3.083) 10.168 29.237 ( 0.000 10.720 -6.092) 12.330 29.746 ( 0.000 -1.271 17.650) 17.695 30.075 ( 0.000 -6.972 18.599) 19.863 30.581 ( 0.000 7.346 -7.031) 10.169 31.146 ( 0.000 3.124 -16.329) 16.625 ======================= Grid point 231 (80/108) ======================= q-point: ( 0.25 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 1.176 0.975 0.766) 1.709 2.055 ( -2.732 1.418 -4.285) 5.276 2.194 ( 2.575 -2.184 5.218) 6.215 2.332 ( -0.703 1.443 1.225) 2.019 2.861 ( 2.474 -2.719 3.767) 5.263 2.998 ( -2.153 -6.614 -0.300) 6.963 3.726 ( 4.153 11.436 10.194) 15.872 4.034 ( -10.184 4.007 -1.279) 11.019 4.517 ( 11.263 12.465 13.105) 21.307 4.880 ( 3.256 0.834 6.842) 7.623 5.129 ( -2.261 3.367 -1.931) 4.492 5.294 ( -5.455 4.932 0.906) 7.410 5.841 ( -2.059 19.205 10.654) 22.059 5.893 ( 1.061 12.007 12.376) 17.276 6.222 ( 6.112 13.005 9.090) 17.003 6.408 ( 5.701 11.302 10.032) 16.152 6.594 ( -0.799 13.347 -0.184) 13.372 6.931 ( -6.601 8.823 -4.610) 11.945 7.734 ( -1.930 4.778 3.667) 6.324 8.183 ( -13.241 1.552 -2.874) 13.638 8.546 ( 6.084 2.326 11.314) 13.055 8.643 ( 1.714 -0.049 17.751) 17.833 9.178 ( 3.454 -8.132 -1.060) 8.898 9.544 ( 8.441 3.798 3.683) 9.962 9.816 ( -15.628 -2.663 -4.071) 16.368 10.047 ( 1.240 -3.010 3.627) 4.873 10.682 ( 15.429 -1.338 -9.916) 18.389 11.008 ( -0.954 -7.352 -7.528) 10.566 11.497 ( 4.702 -7.664 -1.187) 9.070 11.791 ( -6.724 4.413 -6.819) 10.545 12.000 ( -0.792 -2.251 -9.403) 9.702 12.228 ( -6.131 -1.748 -9.212) 11.202 12.490 ( 0.784 3.711 -9.904) 10.606 12.826 ( -1.310 -0.027 -16.937) 16.988 13.343 ( 1.193 -9.887 7.286) 12.340 13.719 ( -4.486 -11.190 -2.929) 12.406 13.955 ( 4.138 -8.289 -2.329) 9.553 14.441 ( -4.349 -10.364 -7.426) 13.470 14.759 ( 2.427 -13.316 -11.931) 18.044 15.059 ( 4.866 -13.097 -14.638) 20.236 15.735 ( 2.669 13.588 15.895) 21.082 16.308 ( -7.295 16.715 10.396) 20.993 17.030 ( 6.015 6.440 -19.418) 21.324 17.404 ( -3.300 10.939 -20.414) 23.394 19.161 ( 3.399 -14.284 4.210) 15.274 19.498 ( -7.549 -9.535 -5.036) 13.163 20.363 ( 6.120 -2.516 12.183) 13.864 20.734 ( -7.452 -8.294 9.455) 14.619 20.931 ( 4.846 2.583 -4.009) 6.799 21.295 ( -8.998 -0.426 -7.038) 11.432 21.871 ( 13.663 -13.943 9.109) 21.542 22.335 ( 1.490 -17.146 -0.998) 17.239 23.000 ( -2.867 2.503 9.978) 10.680 23.301 ( -11.717 4.541 1.836) 12.700 23.981 ( 9.781 13.496 7.599) 18.318 24.189 ( 3.850 11.246 3.011) 12.263 24.664 ( -3.204 8.721 8.628) 12.679 24.856 ( -7.881 4.068 6.780) 11.163 26.051 ( 6.531 -6.855 0.037) 9.468 26.214 ( 1.587 -7.006 -3.881) 8.165 27.379 ( 3.383 -3.685 2.494) 5.590 27.816 ( -7.773 -2.155 -1.311) 8.172 28.137 ( 0.723 -5.542 -6.848) 8.839 28.227 ( 2.462 -4.609 -5.726) 7.752 28.630 ( 1.349 7.627 8.894) 11.794 28.753 ( -3.043 8.446 9.428) 13.019 29.066 ( 2.499 9.290 -3.231) 10.148 29.205 ( -2.781 10.024 -5.400) 11.720 29.779 ( 2.942 -0.512 16.901) 17.162 29.999 ( -5.449 -3.702 16.759) 18.007 30.685 ( 7.676 5.021 -6.515) 11.251 31.103 ( -3.706 2.636 -15.008) 15.682 ======================= Grid point 232 (81/108) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 0.631 -0.495) 0.802 2.007 ( 0.000 2.548 -2.096) 3.299 2.232 ( 0.000 -2.020 3.636) 4.159 2.318 ( 0.000 1.486 2.293) 2.732 2.908 ( 0.000 -3.290 2.506) 4.136 2.955 ( -0.000 -5.444 1.079) 5.550 3.837 ( 0.000 7.325 3.995) 8.344 3.860 ( 0.000 4.500 3.971) 6.001 4.739 ( -0.000 12.102 13.339) 18.011 4.789 ( 0.000 13.799 13.954) 19.625 5.119 ( 0.000 2.260 2.414) 3.307 5.282 ( 0.000 -1.744 -4.507) 4.833 5.800 ( 0.000 9.124 8.356) 12.373 5.854 ( 0.000 20.182 11.849) 23.403 6.325 ( 0.000 11.784 6.681) 13.546 6.523 ( 0.000 11.408 3.134) 11.830 6.636 ( 0.000 0.923 3.091) 3.226 6.756 ( 0.000 19.777 2.332) 19.914 7.767 ( 0.000 2.038 -3.844) 4.350 7.966 ( -0.000 9.958 -3.482) 10.549 8.602 ( 0.000 -2.731 13.645) 13.916 8.670 ( 0.000 2.476 19.056) 19.216 9.351 ( -0.000 -8.281 -0.742) 8.315 9.421 ( 0.000 -9.663 -0.792) 9.696 9.740 ( 0.000 7.347 2.135) 7.651 10.076 ( 0.000 -2.239 3.163) 3.875 10.873 ( 0.000 0.114 -10.163) 10.163 10.998 ( 0.000 -5.273 -2.732) 5.939 11.539 ( 0.000 6.223 -9.356) 11.236 11.707 ( 0.000 -3.442 -9.263) 9.881 11.993 ( 0.000 0.012 -5.682) 5.682 12.144 ( 0.000 -12.909 -5.669) 14.099 12.495 ( -0.000 0.553 -9.512) 9.528 12.814 ( 0.000 1.780 -17.523) 17.614 13.343 ( 0.000 -9.198 6.996) 11.557 13.676 ( 0.000 -10.603 -6.153) 12.259 14.004 ( 0.000 -9.334 -3.674) 10.031 14.392 ( 0.000 -8.258 -6.887) 10.753 14.775 ( 0.000 -14.779 -10.196) 17.955 15.133 ( 0.000 -13.861 -15.301) 20.646 15.782 ( 0.000 14.606 14.805) 20.797 16.199 ( 0.000 17.654 11.859) 21.268 17.122 ( -0.000 8.690 -20.535) 22.298 17.346 ( 0.000 9.162 -17.779) 20.001 19.235 ( 0.000 -13.598 1.815) 13.719 19.370 ( 0.000 -11.347 -1.842) 11.496 20.484 ( 0.000 -5.396 12.811) 13.901 20.594 ( -0.000 -5.457 9.605) 11.047 21.027 ( -0.000 2.539 -4.506) 5.172 21.152 ( 0.000 1.620 -7.817) 7.983 22.097 ( 0.000 -14.228 8.249) 16.446 22.298 ( 0.000 -16.839 3.250) 17.150 23.044 ( 0.000 2.926 5.536) 6.262 23.073 ( -0.000 3.297 4.273) 5.396 24.140 ( 0.000 13.556 4.979) 14.442 24.211 ( 0.000 11.471 5.228) 12.606 24.657 ( 0.000 7.045 7.772) 10.490 24.708 ( -0.000 6.465 6.715) 9.322 26.182 ( 0.000 -7.817 -2.454) 8.193 26.188 ( -0.000 -7.603 -0.567) 7.624 27.460 ( 0.000 -3.978 -1.154) 4.142 27.678 ( 0.000 -3.554 -3.956) 5.318 28.153 ( 0.000 -5.140 -4.807) 7.038 28.254 ( 0.000 -3.785 -3.473) 5.137 28.663 ( -0.000 9.213 9.641) 13.336 28.698 ( 0.000 7.447 9.223) 11.854 29.130 ( -0.000 8.132 -3.088) 8.699 29.136 ( 0.000 10.168 -5.088) 11.370 29.842 ( -0.000 0.316 16.104) 16.107 29.907 ( 0.000 -1.657 15.892) 15.978 30.802 ( 0.000 4.096 -7.271) 8.346 31.036 ( -0.000 1.850 -13.309) 13.437 ======================= Grid point 235 (82/108) ======================= q-point: ( 0.00 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 1.775 2.043) 2.706 2.108 ( 0.000 0.912 -4.050) 4.152 2.142 ( 0.000 0.968 1.952) 2.179 2.371 ( 0.000 1.409 -2.405) 2.787 2.769 ( 0.000 -4.144 0.772) 4.215 2.861 ( 0.000 -7.433 -2.895) 7.977 3.992 ( 0.000 14.326 9.014) 16.926 4.358 ( 0.000 9.095 -5.133) 10.444 4.421 ( 0.000 -3.390 5.281) 6.275 4.661 ( 0.000 -3.242 -1.480) 3.564 5.334 ( 0.000 10.375 3.824) 11.058 5.715 ( 0.000 16.376 4.848) 17.078 5.820 ( 0.000 3.227 16.854) 17.160 6.274 ( 0.000 12.181 17.563) 21.374 6.504 ( 0.000 12.584 10.363) 16.302 6.678 ( 0.000 13.924 9.701) 16.970 6.757 ( 0.000 1.492 6.674) 6.839 7.253 ( 0.000 18.146 -12.390) 21.972 7.833 ( 0.000 4.374 6.387) 7.742 8.379 ( 0.000 -11.097 7.057) 13.151 8.402 ( 0.000 3.985 -4.529) 6.033 8.713 ( 0.000 13.122 23.584) 26.989 9.198 ( 0.000 3.439 -12.584) 13.046 9.504 ( 0.000 8.278 11.554) 14.213 10.017 ( 0.000 3.171 -0.555) 3.219 10.143 ( 0.000 -3.303 0.427) 3.331 10.162 ( 0.000 -10.885 -9.951) 14.748 10.810 ( 0.000 -11.777 -7.247) 13.829 11.190 ( 0.000 -9.745 5.689) 11.285 11.684 ( 0.000 -12.747 -7.633) 14.858 12.191 ( 0.000 12.840 2.090) 13.009 12.510 ( 0.000 3.038 -13.156) 13.502 12.615 ( 0.000 11.694 -13.042) 17.517 12.863 ( 0.000 2.476 -23.195) 23.326 13.126 ( 0.000 -4.770 11.028) 12.015 13.563 ( 0.000 -15.435 4.919) 16.200 13.716 ( 0.000 -4.927 -14.549) 15.361 14.186 ( 0.000 -17.999 -8.211) 19.783 14.434 ( 0.000 -15.287 -20.585) 25.641 14.660 ( 0.000 -19.271 -17.553) 26.067 16.007 ( 0.000 15.540 18.026) 23.800 16.746 ( 0.000 16.445 13.080) 21.013 17.027 ( 0.000 2.522 -12.535) 12.786 17.678 ( 0.000 10.219 -14.261) 17.544 18.832 ( 0.000 -13.133 3.657) 13.633 19.375 ( 0.000 -12.892 -9.846) 16.222 20.261 ( 0.000 -1.611 14.993) 15.080 20.605 ( 0.000 -9.207 15.057) 17.648 20.942 ( 0.000 2.188 -4.284) 4.811 21.392 ( 0.000 -3.231 -12.059) 12.484 21.471 ( 0.000 -4.679 4.512) 6.500 21.973 ( 0.000 -14.637 -5.182) 15.527 23.110 ( 0.000 3.546 11.148) 11.699 23.608 ( 0.000 7.839 -4.705) 9.143 24.072 ( 0.000 8.871 12.440) 15.279 24.335 ( 0.000 8.427 3.636) 9.178 24.858 ( 0.000 4.680 9.889) 10.941 25.005 ( 0.000 2.884 7.872) 8.383 25.866 ( 0.000 -3.568 0.137) 3.571 26.055 ( 0.000 -6.310 -4.584) 7.799 27.299 ( 0.000 -0.763 2.182) 2.312 27.889 ( 0.000 -14.216 -13.125) 19.349 27.921 ( 0.000 0.437 3.082) 3.113 28.125 ( 0.000 -1.899 -3.615) 4.084 28.772 ( 0.000 7.529 10.511) 12.929 28.951 ( 0.000 6.614 10.399) 12.324 29.224 ( 0.000 8.209 -1.426) 8.332 29.422 ( 0.000 6.761 -5.274) 8.575 29.731 ( 0.000 -0.146 19.241) 19.242 29.979 ( 0.000 -2.218 22.694) 22.803 30.728 ( 0.000 6.661 -10.895) 12.770 31.204 ( 0.000 2.652 -18.004) 18.198 ======================= Grid point 236 (83/108) ======================= q-point: ( 0.25 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 1.147 1.774 1.497) 2.589 2.082 ( -2.048 1.029 -2.860) 3.665 2.174 ( 2.293 0.479 1.172) 2.619 2.367 ( -0.385 1.770 -1.980) 2.684 2.788 ( 1.527 -4.846 0.213) 5.085 2.852 ( -0.839 -6.730 -2.169) 7.120 3.972 ( -0.327 11.538 5.294) 12.699 4.160 ( -9.846 7.562 -2.580) 12.680 4.619 ( 13.612 -1.323 7.817) 15.752 4.862 ( 10.292 -2.040 1.881) 10.660 5.285 ( -2.267 11.999 5.443) 13.369 5.486 ( -10.072 12.883 5.631) 17.295 6.014 ( 0.906 6.211 10.814) 12.503 6.273 ( -0.918 14.509 17.408) 22.680 6.416 ( -2.682 5.282 9.564) 11.250 6.585 ( 2.769 5.590 6.702) 9.156 6.863 ( 2.099 13.660 6.493) 15.269 7.269 ( -1.092 21.096 -5.451) 21.816 7.818 ( -0.899 4.047 -2.264) 4.723 8.204 ( -10.163 -0.582 -7.243) 12.493 8.506 ( 7.156 -6.057 14.722) 17.454 8.763 ( 1.107 10.711 18.721) 21.597 9.112 ( -1.645 3.294 -1.329) 3.914 9.565 ( -8.211 -1.176 1.531) 8.435 9.822 ( -0.595 3.916 1.417) 4.207 10.059 ( 2.395 3.605 1.736) 4.664 10.562 ( 15.148 -9.865 -6.131) 19.089 10.812 ( 1.477 -11.336 -6.585) 13.193 11.326 ( 11.485 -8.154 0.771) 14.106 11.740 ( 4.585 -9.005 -9.312) 13.742 12.031 ( -12.644 7.102 -0.368) 14.507 12.265 ( -16.678 3.889 -12.926) 21.455 12.654 ( 1.046 8.612 -6.228) 10.679 12.816 ( -3.249 0.358 -10.448) 10.947 13.230 ( 4.727 -0.355 -1.554) 4.989 13.479 ( -2.603 -11.645 -4.365) 12.706 13.782 ( 2.581 -7.823 -10.340) 13.221 14.160 ( -1.390 -16.692 -8.349) 18.716 14.436 ( -0.525 -17.021 -18.166) 24.900 14.714 ( 4.135 -19.732 -18.118) 27.105 16.061 ( 4.396 16.751 17.789) 24.827 16.644 ( -6.985 15.366 11.036) 20.167 17.151 ( 9.075 5.043 -10.141) 14.513 17.615 ( -5.603 8.897 -12.797) 16.562 18.869 ( 3.575 -13.327 1.866) 13.924 19.262 ( -8.862 -12.973 -7.592) 17.449 20.307 ( 3.745 -2.813 15.152) 15.859 20.547 ( -4.660 -8.025 14.992) 17.631 20.999 ( 4.780 2.481 -6.286) 8.278 21.287 ( -6.251 -0.337 -9.990) 11.790 21.652 ( 12.379 -7.520 2.794) 14.752 22.007 ( 1.411 -14.139 -3.392) 14.608 23.075 ( -1.395 4.284 9.176) 10.222 23.423 ( -13.475 6.797 -0.758) 15.112 24.212 ( 9.701 8.944 8.984) 15.963 24.392 ( 3.953 8.477 3.979) 10.165 24.808 ( -3.609 4.842 9.890) 11.589 24.933 ( -6.007 3.622 7.761) 10.461 25.932 ( 5.222 -4.546 -0.339) 6.932 26.069 ( 0.523 -6.771 -3.721) 7.744 27.325 ( 2.700 -1.491 0.436) 3.115 27.719 ( -9.377 -7.654 -7.030) 13.997 28.020 ( 3.511 -4.208 -2.121) 5.876 28.147 ( 1.404 -3.414 -3.513) 5.096 28.794 ( 1.910 7.614 10.512) 13.119 28.916 ( -2.825 6.977 10.363) 12.808 29.244 ( 1.794 7.798 -1.394) 8.122 29.385 ( -3.004 7.101 -4.285) 8.821 29.774 ( 3.568 -0.027 19.180) 19.509 29.945 ( -2.927 -1.333 21.616) 21.854 30.805 ( 6.321 6.000 -11.577) 14.490 31.154 ( -4.414 2.452 -17.139) 17.868 ======================= Grid point 237 (84/108) ======================= q-point: (-0.50 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 1.663 0.567) 1.757 2.048 ( 0.000 1.261 -1.646) 2.073 2.206 ( 0.000 -0.163 0.626) 0.647 2.360 ( 0.000 2.295 -1.468) 2.724 2.818 ( 0.000 -7.426 -1.151) 7.515 2.831 ( -0.000 -4.145 -0.586) 4.186 4.003 ( 0.000 8.162 0.535) 8.179 4.018 ( -0.000 9.861 1.191) 9.933 4.818 ( -0.000 -2.293 7.145) 7.504 4.975 ( 0.000 1.545 10.673) 10.784 5.280 ( 0.000 12.411 8.225) 14.889 5.351 ( -0.000 10.956 -0.173) 10.958 5.927 ( -0.000 4.089 11.989) 12.667 6.257 ( 0.000 15.381 11.620) 19.277 6.409 ( 0.000 1.648 6.581) 6.784 6.788 ( 0.000 11.776 3.880) 12.399 6.794 ( -0.000 11.389 9.073) 14.561 7.212 ( 0.000 21.599 2.474) 21.741 7.815 ( 0.000 4.788 -6.991) 8.473 8.073 ( 0.000 -0.922 -12.490) 12.524 8.676 ( -0.000 -6.409 13.341) 14.800 8.677 ( 0.000 10.347 20.152) 22.653 9.227 ( -0.000 1.381 6.931) 7.067 9.288 ( 0.000 -1.647 0.465) 1.711 9.900 ( 0.000 7.096 1.248) 7.205 10.079 ( 0.000 1.961 2.177) 2.930 10.789 ( 0.000 -7.506 -7.234) 10.425 10.792 ( -0.000 -13.446 -1.752) 13.559 11.619 ( 0.000 -3.236 -5.656) 6.517 11.680 ( -0.000 1.368 -10.488) 10.577 11.903 ( -0.000 -7.856 -4.827) 9.221 11.994 ( 0.000 2.679 -8.869) 9.265 12.661 ( 0.000 12.958 -0.983) 12.995 12.766 ( 0.000 -6.566 -6.069) 8.941 13.264 ( 0.000 2.036 -2.961) 3.593 13.479 ( 0.000 -7.823 -14.068) 16.096 13.804 ( 0.000 -9.999 -8.705) 13.258 14.146 ( 0.000 -15.332 -8.272) 17.422 14.424 ( 0.000 -18.089 -16.075) 24.200 14.771 ( 0.000 -20.508 -18.800) 27.821 16.132 ( 0.000 18.239 17.241) 25.098 16.544 ( 0.000 15.158 11.620) 19.100 17.303 ( 0.000 8.135 -11.286) 13.912 17.504 ( 0.000 5.876 -10.062) 11.652 18.949 ( 0.000 -13.396 -0.826) 13.421 19.112 ( 0.000 -13.257 -4.785) 14.094 20.379 ( 0.000 -4.278 15.998) 16.560 20.461 ( 0.000 -6.453 14.369) 15.751 21.098 ( -0.000 3.505 -8.440) 9.139 21.173 ( 0.000 -0.150 -9.563) 9.564 21.872 ( 0.000 -7.824 1.555) 7.977 21.970 ( 0.000 -14.079 0.676) 14.095 23.143 ( -0.000 5.887 4.229) 7.248 23.160 ( 0.000 4.823 3.431) 5.919 24.377 ( 0.000 9.401 5.755) 11.023 24.413 ( -0.000 8.161 6.409) 10.376 24.783 ( 0.000 5.092 8.963) 10.308 24.816 ( 0.000 4.036 8.266) 9.198 26.033 ( 0.000 -6.393 -2.428) 6.839 26.044 ( -0.000 -6.127 -1.140) 6.232 27.388 ( 0.000 -2.983 -2.081) 3.637 27.576 ( 0.000 -6.154 -6.055) 8.633 28.059 ( 0.000 -3.481 -1.878) 3.956 28.164 ( 0.000 -4.591 -3.112) 5.546 28.848 ( -0.000 6.798 10.230) 12.282 28.850 ( 0.000 8.194 10.654) 13.440 29.282 ( 0.000 6.624 -1.426) 6.776 29.331 ( 0.000 8.299 -3.426) 8.978 29.852 ( -0.000 0.485 19.561) 19.567 29.875 ( 0.000 -1.042 20.345) 20.372 30.918 ( 0.000 6.346 -12.761) 14.252 31.067 ( -0.000 1.396 -15.868) 15.929 ======================= Grid point 240 (85/108) ======================= q-point: ( 0.00 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 1.621 2.662) 3.116 2.122 ( 0.000 0.474 -2.519) 2.563 2.191 ( 0.000 3.457 -3.950) 5.250 2.381 ( 0.000 -1.005 -7.073) 7.144 2.675 ( 0.000 -3.455 -0.349) 3.473 2.744 ( 0.000 -4.520 -1.918) 4.910 4.211 ( 0.000 6.622 5.936) 8.893 4.326 ( 0.000 -4.251 5.043) 6.596 4.556 ( 0.000 9.254 -5.830) 10.937 4.599 ( 0.000 -2.652 -5.020) 5.677 5.565 ( 0.000 10.588 9.262) 14.067 5.927 ( 0.000 7.112 16.759) 18.206 6.045 ( 0.000 15.223 7.606) 17.017 6.355 ( 0.000 -3.060 11.100) 11.514 6.550 ( 0.000 -6.967 12.447) 14.264 6.797 ( 0.000 2.769 -0.201) 2.776 6.934 ( 0.000 12.117 18.332) 21.974 7.569 ( 0.000 6.009 1.170) 6.122 7.922 ( 0.000 3.664 4.974) 6.178 8.200 ( 0.000 -0.478 4.314) 4.340 8.521 ( 0.000 6.047 -4.479) 7.525 9.007 ( 0.000 7.998 6.294) 10.177 9.245 ( 0.000 6.584 -7.016) 9.622 9.706 ( 0.000 10.685 8.415) 13.600 9.926 ( 0.000 -13.108 -5.333) 14.151 10.079 ( 0.000 -0.786 1.142) 1.386 10.107 ( 0.000 3.053 1.177) 3.272 10.561 ( 0.000 -12.003 -2.298) 12.221 11.083 ( 0.000 0.996 4.159) 4.277 11.453 ( 0.000 -11.020 -5.086) 12.137 12.378 ( 0.000 5.011 4.861) 6.981 12.580 ( 0.000 4.610 -11.564) 12.449 12.818 ( 0.000 8.049 -4.568) 9.255 12.904 ( 0.000 -1.266 -22.484) 22.520 13.139 ( 0.000 5.790 3.052) 6.545 13.287 ( 0.000 -8.652 -0.670) 8.678 13.670 ( 0.000 -1.510 -11.808) 11.904 13.834 ( 0.000 -13.099 -16.902) 21.383 14.127 ( 0.000 -13.269 -22.714) 26.306 14.259 ( 0.000 -19.303 -19.119) 27.169 16.284 ( 0.000 10.637 16.478) 19.613 17.049 ( 0.000 -0.118 -5.780) 5.782 17.050 ( 0.000 12.736 15.115) 19.765 17.803 ( 0.000 1.090 -1.981) 2.261 18.663 ( 0.000 -1.856 -5.546) 5.849 19.100 ( 0.000 -13.392 -11.492) 17.646 20.225 ( 0.000 -1.644 16.359) 16.441 20.471 ( 0.000 -4.118 16.298) 16.811 20.969 ( 0.000 0.933 -5.274) 5.356 21.330 ( 0.000 -2.503 -12.929) 13.169 21.441 ( 0.000 0.666 0.160) 0.685 21.725 ( 0.000 -9.297 -5.734) 10.923 23.179 ( 0.000 2.786 11.689) 12.016 23.752 ( 0.000 5.655 -7.081) 9.062 24.200 ( 0.000 3.896 13.795) 14.334 24.467 ( 0.000 4.474 3.695) 5.803 24.901 ( 0.000 0.350 12.314) 12.319 25.069 ( 0.000 2.783 6.027) 6.639 25.826 ( 0.000 -0.449 -1.012) 1.107 25.938 ( 0.000 -4.889 -3.859) 6.228 27.320 ( 0.000 2.921 -1.216) 3.164 27.619 ( 0.000 -11.775 -8.777) 14.686 27.927 ( 0.000 0.187 2.224) 2.232 28.092 ( 0.000 -1.216 -3.551) 3.754 28.896 ( 0.000 4.250 11.281) 12.055 29.050 ( 0.000 3.119 10.655) 11.102 29.355 ( 0.000 4.525 0.052) 4.525 29.507 ( 0.000 1.987 -2.934) 3.543 29.736 ( 0.000 0.505 19.972) 19.979 29.973 ( 0.000 0.961 23.314) 23.334 30.838 ( 0.000 3.899 -13.219) 13.782 31.251 ( 0.000 1.778 -18.487) 18.572 ======================= Grid point 241 (86/108) ======================= q-point: ( 0.25 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 1.151 1.643 1.855) 2.732 2.095 ( -2.136 0.336 -1.802) 2.815 2.213 ( 1.529 3.118 -3.769) 5.125 2.383 ( 0.058 -0.951 -6.746) 6.813 2.684 ( 0.608 -3.613 -0.366) 3.682 2.745 ( 0.119 -4.266 -1.666) 4.581 4.153 ( -1.588 5.872 2.043) 6.417 4.310 ( -8.053 6.249 -2.778) 10.565 4.546 ( 12.290 -4.581 6.451) 14.617 4.828 ( 8.485 -0.644 -2.037) 8.750 5.560 ( 0.405 13.392 9.736) 16.563 5.771 ( -8.427 14.094 8.611) 18.542 6.123 ( -4.262 3.714 15.231) 16.246 6.290 ( -7.066 -7.914 6.694) 12.545 6.568 ( 7.584 6.226 18.742) 21.155 6.687 ( 4.416 3.632 2.407) 6.204 7.087 ( 2.577 9.975 9.565) 14.058 7.560 ( -5.010 2.357 0.520) 5.562 7.942 ( 2.219 5.261 -0.564) 5.737 8.206 ( -6.088 5.536 -3.445) 8.921 8.366 ( -0.178 -5.103 3.690) 6.300 8.981 ( -5.582 6.039 9.246) 12.374 9.271 ( 4.144 12.268 0.816) 12.974 9.591 ( -10.517 3.703 2.519) 11.431 9.889 ( 4.162 0.408 5.502) 6.911 10.157 ( 2.358 4.822 0.266) 5.374 10.356 ( 11.270 -7.679 -1.832) 13.760 10.566 ( 5.267 -12.246 -3.912) 13.893 11.216 ( 10.819 -1.015 -1.480) 10.967 11.549 ( 8.372 -9.886 -4.972) 13.876 12.132 ( -18.335 3.903 -3.508) 19.071 12.399 ( -19.366 4.194 -8.678) 21.632 12.663 ( 1.417 1.700 -1.882) 2.906 12.971 ( -7.453 5.542 4.490) 10.316 13.236 ( 12.193 -0.692 -14.931) 19.290 13.340 ( 2.277 1.339 -7.292) 7.756 13.677 ( -1.082 -3.877 -13.761) 14.337 13.815 ( -0.625 -13.097 -14.052) 19.219 14.119 ( -1.036 -13.062 -20.375) 24.224 14.300 ( 3.213 -19.879 -21.026) 29.114 16.366 ( 6.861 12.222 16.890) 21.948 16.892 ( -7.748 7.893 10.371) 15.162 17.238 ( 10.432 4.081 -0.303) 11.206 17.724 ( -7.045 1.270 -2.204) 7.490 18.683 ( 2.234 -3.625 -6.230) 7.546 19.000 ( -7.859 -12.015 -10.525) 17.802 20.257 ( 2.777 -1.883 16.365) 16.705 20.428 ( -3.534 -3.738 16.285) 17.078 21.025 ( 4.631 0.379 -7.235) 8.599 21.270 ( -4.907 -1.441 -12.070) 13.109 21.565 ( 9.917 -1.306 0.695) 10.027 21.783 ( 3.451 -7.699 -4.469) 9.548 23.154 ( -0.565 3.072 9.328) 9.837 23.548 ( -14.819 4.852 -2.397) 15.776 24.343 ( 9.711 4.056 10.069) 14.565 24.526 ( 4.086 4.577 3.873) 7.256 24.859 ( -3.015 0.768 12.104) 12.497 25.001 ( -5.721 2.758 6.499) 9.086 25.871 ( 3.555 -1.443 -1.516) 4.125 25.952 ( 0.770 -4.512 -3.592) 5.818 27.324 ( 0.674 1.502 -1.721) 2.382 27.540 ( -5.801 -8.706 -6.897) 12.531 27.974 ( 3.204 -0.890 0.442) 3.354 28.091 ( -0.299 -1.999 -3.122) 3.719 28.916 ( 1.750 4.133 11.132) 12.003 29.021 ( -2.323 3.294 10.666) 11.402 29.373 ( 1.454 4.706 -0.023) 4.925 29.484 ( -1.805 2.746 -2.500) 4.129 29.777 ( 3.431 0.268 20.435) 20.723 29.942 ( -2.794 0.632 22.888) 23.067 30.907 ( 5.859 3.664 -14.098) 15.700 31.200 ( -4.578 1.836 -17.883) 18.551 ======================= Grid point 242 (87/108) ======================= q-point: (-0.50 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 2.019 0.637) 2.118 2.058 ( 0.000 -0.169 -0.630) 0.652 2.233 ( 0.000 2.879 -3.633) 4.635 2.382 ( 0.000 -1.008 -6.466) 6.544 2.692 ( 0.000 -3.788 -0.357) 3.805 2.747 ( 0.000 -3.975 -1.380) 4.207 4.153 ( 0.000 6.422 -0.614) 6.452 4.202 ( -0.000 6.742 -1.562) 6.920 4.749 ( 0.000 -2.556 5.811) 6.348 4.898 ( 0.000 -6.631 4.786) 8.178 5.573 ( 0.000 15.823 9.682) 18.550 5.651 ( 0.000 15.231 6.954) 16.744 5.991 ( -0.000 1.780 13.747) 13.862 6.231 ( 0.000 -9.803 4.029) 10.599 6.665 ( 0.000 14.499 20.466) 25.081 6.921 ( 0.000 1.514 6.861) 7.026 7.020 ( -0.000 11.486 3.919) 12.136 7.424 ( 0.000 -1.312 -0.077) 1.314 7.998 ( 0.000 -4.063 -7.232) 8.296 8.043 ( -0.000 9.459 -6.650) 11.562 8.488 ( -0.000 -1.411 9.361) 9.467 8.865 ( 0.000 3.550 11.094) 11.648 9.394 ( -0.000 10.554 8.754) 13.712 9.395 ( 0.000 11.179 1.893) 11.338 9.976 ( 0.000 -0.304 2.906) 2.922 10.111 ( -0.000 -0.621 3.672) 3.725 10.559 ( 0.000 -6.878 -1.866) 7.127 10.618 ( 0.000 -7.816 -3.964) 8.763 11.484 ( 0.000 -5.601 -6.588) 8.647 11.632 ( 0.000 -8.144 -13.492) 15.760 11.849 ( 0.000 5.131 1.227) 5.276 12.110 ( 0.000 1.833 -8.169) 8.372 12.675 ( 0.000 1.759 2.890) 3.383 12.879 ( 0.000 5.180 9.384) 10.718 13.353 ( 0.000 4.373 -8.979) 9.987 13.406 ( -0.000 1.394 -24.194) 24.234 13.639 ( 0.000 -4.476 -12.793) 13.554 13.810 ( 0.000 -15.411 -10.835) 18.838 14.103 ( 0.000 -12.160 -19.052) 22.602 14.344 ( 0.000 -20.369 -22.295) 30.199 16.485 ( 0.000 15.847 17.314) 23.472 16.769 ( 0.000 5.718 12.513) 13.758 17.432 ( 0.000 4.821 -1.620) 5.085 17.568 ( -0.000 0.214 -2.534) 2.543 18.743 ( 0.000 -5.921 -7.196) 9.319 18.866 ( 0.000 -10.230 -9.401) 13.894 20.319 ( 0.000 -1.705 16.599) 16.686 20.356 ( 0.000 -3.749 16.048) 16.481 21.141 ( -0.000 0.435 -10.555) 10.564 21.150 ( 0.000 -1.484 -9.581) 9.695 21.766 ( 0.000 -3.218 -1.691) 3.636 21.766 ( -0.000 -5.533 0.150) 5.535 23.250 ( -0.000 3.970 3.210) 5.105 23.250 ( 0.000 3.602 3.037) 4.711 24.518 ( 0.000 4.534 6.817) 8.187 24.535 ( -0.000 3.747 7.265) 8.174 24.860 ( 0.000 2.528 8.937) 9.288 24.874 ( 0.000 1.754 8.631) 8.808 25.935 ( 0.000 -3.113 -2.913) 4.263 25.947 ( 0.000 -3.405 -2.404) 4.168 27.347 ( 0.000 -0.791 -2.675) 2.789 27.450 ( 0.000 -5.640 -5.307) 7.745 28.019 ( 0.000 -0.543 -0.989) 1.128 28.081 ( 0.000 -3.351 -2.335) 4.084 28.958 ( -0.000 3.828 10.701) 11.365 28.972 ( 0.000 3.651 10.994) 11.585 29.399 ( 0.000 4.843 -0.160) 4.846 29.454 ( -0.000 3.481 -2.098) 4.064 29.860 ( -0.000 0.354 21.826) 21.829 29.867 ( 0.000 0.042 21.592) 21.592 31.032 ( 0.000 4.449 -15.507) 16.132 31.092 ( 0.000 0.882 -16.746) 16.770 ======================= Grid point 245 (88/108) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 0.000 2.786) 2.786 2.127 ( 0.000 0.000 -1.908) 1.908 2.248 ( 0.000 0.000 -7.077) 7.077 2.346 ( 0.000 0.000 -8.996) 8.996 2.665 ( 0.000 0.000 -0.073) 0.073 2.673 ( 0.000 -0.000 -1.044) 1.044 4.274 ( 0.000 0.000 5.678) 5.678 4.280 ( 0.000 0.000 5.141) 5.141 4.569 ( 0.000 0.000 -6.059) 6.059 4.663 ( 0.000 0.000 -6.954) 6.954 5.688 ( 0.000 0.000 11.978) 11.978 6.045 ( 0.000 0.000 14.164) 14.164 6.268 ( 0.000 -0.000 11.277) 11.277 6.276 ( 0.000 -0.000 11.215) 11.215 6.392 ( 0.000 0.000 9.822) 9.822 6.820 ( 0.000 0.000 -4.811) 4.811 7.103 ( 0.000 0.000 22.592) 22.592 7.535 ( 0.000 0.000 13.308) 13.308 7.963 ( 0.000 0.000 5.501) 5.501 8.290 ( 0.000 0.000 -1.610) 1.610 8.590 ( 0.000 0.000 -3.227) 3.227 8.972 ( 0.000 0.000 -17.548) 17.548 9.579 ( 0.000 0.000 1.048) 1.048 9.600 ( 0.000 -0.000 6.386) 6.386 9.850 ( 0.000 0.000 4.687) 4.687 10.048 ( 0.000 -0.000 -0.240) 0.240 10.175 ( 0.000 0.000 5.228) 5.228 10.399 ( 0.000 0.000 -0.258) 0.258 11.222 ( 0.000 -0.000 -8.094) 8.094 11.225 ( 0.000 0.000 4.879) 4.879 12.420 ( 0.000 0.000 5.408) 5.408 12.677 ( 0.000 0.000 -3.308) 3.308 12.811 ( 0.000 0.000 -22.211) 22.211 12.904 ( 0.000 0.000 3.216) 3.216 13.236 ( 0.000 0.000 -8.649) 8.649 13.293 ( 0.000 0.000 -0.403) 0.403 13.493 ( 0.000 -0.000 -12.466) 12.466 13.909 ( 0.000 0.000 -19.782) 19.782 13.918 ( 0.000 -0.000 -21.888) 21.888 13.973 ( 0.000 0.000 -24.170) 24.170 16.400 ( 0.000 0.000 15.436) 15.436 17.042 ( 0.000 0.000 -2.902) 2.902 17.201 ( 0.000 0.000 16.258) 16.258 17.782 ( 0.000 0.000 4.846) 4.846 18.704 ( 0.000 0.000 -12.512) 12.512 18.911 ( 0.000 0.000 -11.442) 11.442 20.206 ( 0.000 0.000 16.692) 16.692 20.430 ( 0.000 0.000 16.463) 16.463 20.980 ( 0.000 0.000 -7.172) 7.172 21.303 ( 0.000 0.000 -13.113) 13.113 21.459 ( 0.000 -0.000 1.539) 1.539 21.620 ( 0.000 0.000 -7.154) 7.154 23.209 ( 0.000 0.000 12.013) 12.013 23.813 ( 0.000 0.000 -7.904) 7.904 24.238 ( 0.000 0.000 14.304) 14.304 24.513 ( 0.000 0.000 3.564) 3.564 24.901 ( 0.000 0.000 13.261) 13.261 25.099 ( 0.000 0.000 5.132) 5.132 25.833 ( 0.000 0.000 -1.878) 1.878 25.875 ( 0.000 0.000 -3.168) 3.168 27.412 ( 0.000 0.000 -4.823) 4.823 27.436 ( 0.000 -0.000 -4.655) 4.655 27.929 ( 0.000 0.000 1.957) 1.957 28.080 ( 0.000 0.000 -3.516) 3.516 28.939 ( 0.000 0.000 11.513) 11.513 29.081 ( 0.000 0.000 10.670) 10.670 29.402 ( 0.000 0.000 0.637) 0.637 29.524 ( 0.000 0.000 -1.555) 1.555 29.743 ( 0.000 0.000 20.109) 20.109 29.988 ( 0.000 0.000 22.900) 22.900 30.878 ( 0.000 0.000 -13.948) 13.948 31.270 ( 0.000 0.000 -18.524) 18.524 ======================= Grid point 247 (89/108) ======================= q-point: ( 0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.246 0.000 1.844) 2.226 2.098 ( -2.349 0.000 -1.433) 2.752 2.271 ( 1.897 0.000 -6.817) 7.076 2.342 ( -0.580 0.000 -8.202) 8.223 2.671 ( 0.495 0.000 -0.115) 0.508 2.679 ( 0.369 -0.000 -0.808) 0.888 4.213 ( -0.523 0.000 1.538) 1.625 4.384 ( -8.675 0.000 -4.553) 9.798 4.480 ( 12.969 0.000 8.164) 15.325 4.828 ( 5.379 0.000 -4.159) 6.800 5.731 ( 3.810 0.000 10.023) 10.723 5.995 ( -4.801 0.000 9.687) 10.811 6.103 ( -8.005 -0.000 9.647) 12.536 6.165 ( -12.344 0.000 18.361) 22.125 6.625 ( 14.170 0.000 11.892) 18.499 6.719 ( 6.097 0.000 0.309) 6.104 7.252 ( 1.745 0.000 8.963) 9.131 7.492 ( -5.467 0.000 12.007) 13.194 7.969 ( -0.008 0.000 6.261) 6.261 8.254 ( -20.111 0.000 -9.837) 22.388 8.408 ( 12.203 0.000 0.327) 12.207 9.000 ( -5.216 0.000 -6.775) 8.551 9.544 ( -0.155 0.000 5.014) 5.017 9.549 ( -2.078 -0.000 6.037) 6.385 9.880 ( 2.607 0.000 8.422) 8.816 10.206 ( 0.203 0.000 1.656) 1.669 10.296 ( 3.402 0.000 0.399) 3.426 10.403 ( 14.807 0.000 -3.262) 15.162 11.265 ( 5.052 0.000 -8.877) 10.214 11.389 ( 11.869 0.000 0.568) 11.882 12.199 ( -16.924 0.000 -4.046) 17.401 12.373 ( -20.169 0.000 -2.380) 20.309 12.816 ( -0.000 0.000 -4.528) 4.528 12.891 ( -3.113 0.000 5.955) 6.720 13.336 ( 3.460 0.000 -7.850) 8.579 13.373 ( 8.501 0.000 -12.318) 14.967 13.503 ( 1.244 0.000 -12.589) 12.651 13.826 ( -6.681 0.000 -17.796) 19.009 13.965 ( 3.517 0.000 -22.852) 23.121 14.009 ( 1.939 0.000 -24.623) 24.699 16.504 ( 9.052 0.000 15.920) 18.313 16.960 ( -7.644 0.000 9.573) 12.250 17.299 ( 8.667 0.000 4.995) 10.003 17.712 ( -6.364 0.000 3.626) 7.325 18.690 ( -0.477 0.000 -12.163) 12.173 18.837 ( -5.823 0.000 -11.439) 12.836 20.237 ( 2.662 0.000 16.590) 16.802 20.391 ( -3.275 0.000 16.444) 16.767 21.027 ( 4.016 0.000 -8.266) 9.190 21.249 ( -4.456 0.000 -12.072) 12.868 21.564 ( 8.362 0.000 0.999) 8.421 21.700 ( 5.260 0.000 -5.405) 7.542 23.187 ( -0.326 0.000 9.488) 9.493 23.600 ( -15.376 0.000 -2.886) 15.645 24.383 ( 9.692 0.000 10.437) 14.243 24.573 ( 4.117 0.000 3.700) 5.535 24.863 ( -2.568 0.000 12.956) 13.208 25.031 ( -5.834 0.000 5.804) 8.229 25.864 ( 2.392 0.000 -2.267) 3.296 25.899 ( 1.514 0.000 -3.333) 3.661 27.381 ( -1.983 0.000 -4.021) 4.483 27.405 ( -2.351 -0.000 -4.273) 4.877 27.967 ( 2.982 0.000 0.593) 3.040 28.070 ( -1.035 0.000 -3.023) 3.195 28.958 ( 1.620 0.000 11.355) 11.470 29.054 ( -2.192 0.000 10.735) 10.956 29.425 ( 1.866 0.000 0.218) 1.879 29.508 ( -1.390 0.000 -1.380) 1.958 29.781 ( 3.258 0.000 20.828) 21.081 29.951 ( -3.160 0.000 22.824) 23.042 30.945 ( 5.697 0.000 -14.794) 15.854 31.220 ( -4.518 0.000 -17.999) 18.557 ======================= Grid point 249 (90/108) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -1.705 -0.984 0.051) 1.969 2.043 ( 1.705 0.984 0.051) 1.969 2.315 ( -0.381 -4.525 -7.072) 8.404 2.315 ( 0.381 4.525 -7.072) 8.404 2.681 ( -0.015 -2.058 -0.347) 2.087 2.681 ( 0.015 2.058 -0.347) 2.087 4.248 ( -2.631 -1.593 -1.489) 3.417 4.248 ( 2.631 1.593 -1.489) 3.417 4.770 ( -8.261 -3.052 4.329) 9.813 4.770 ( 8.261 3.052 4.329) 9.813 5.842 ( -5.138 -1.909 8.657) 10.247 5.842 ( 5.138 1.909 8.657) 10.247 6.008 ( -0.023 -5.786 11.475) 12.851 6.008 ( 0.023 5.786 11.475) 12.851 6.874 ( -0.999 -5.696 13.155) 14.370 6.874 ( 0.999 5.696 13.155) 14.370 7.272 ( -3.403 -11.074 0.231) 11.587 7.272 ( 3.403 11.074 0.231) 11.587 7.989 ( -1.714 -3.996 0.581) 4.387 7.989 ( 1.714 3.996 0.581) 4.387 8.746 ( -7.846 -12.786 -0.376) 15.006 8.746 ( 7.846 12.786 -0.376) 15.006 9.543 ( -0.146 -1.480 5.942) 6.125 9.543 ( 0.146 1.480 5.942) 6.125 10.007 ( -5.232 -5.591 7.598) 10.787 10.007 ( 5.232 5.591 7.598) 10.787 10.522 ( -5.050 -0.863 -3.277) 6.082 10.522 ( 5.050 0.863 -3.277) 6.082 11.476 ( -7.063 -3.498 -10.044) 12.767 11.476 ( 7.063 3.498 -10.044) 12.767 12.009 ( -3.524 -7.967 -1.651) 8.867 12.009 ( 3.524 7.967 -1.651) 8.867 12.828 ( -0.180 -8.583 6.382) 10.697 12.828 ( 0.180 8.583 6.382) 10.697 13.411 ( -1.307 -2.385 -14.631) 14.882 13.411 ( 1.307 2.385 -14.631) 14.882 13.645 ( -8.392 -1.260 -13.610) 16.039 13.645 ( 8.392 1.260 -13.610) 16.039 14.022 ( -0.079 -7.511 -24.399) 25.529 14.022 ( 0.079 7.511 -24.399) 25.529 16.741 ( -6.903 -6.618 15.377) 18.108 16.741 ( 6.903 6.618 15.377) 18.108 17.522 ( -8.588 -2.406 1.880) 9.115 17.522 ( 8.588 2.406 1.880) 9.115 18.721 ( -1.838 -3.067 -11.616) 12.154 18.721 ( 1.838 3.067 -11.616) 12.154 20.310 ( -3.569 -0.330 16.463) 16.849 20.310 ( 3.569 0.330 16.463) 16.849 21.135 ( -5.632 -0.012 -10.311) 11.749 21.135 ( 5.632 0.012 -10.311) 11.749 21.726 ( -4.109 -0.176 -1.183) 4.279 21.726 ( 4.109 0.176 -1.183) 4.279 23.290 ( -10.936 -0.002 2.908) 11.316 23.290 ( 10.936 0.002 2.908) 11.316 24.568 ( -5.960 -0.063 7.595) 9.655 24.568 ( 5.960 0.063 7.595) 9.655 24.889 ( -5.811 -0.031 8.494) 10.292 24.889 ( 5.811 0.031 8.494) 10.292 25.908 ( -0.848 -0.220 -3.068) 3.191 25.908 ( 0.848 0.220 -3.068) 3.191 27.364 ( -0.127 -2.544 -3.653) 4.453 27.364 ( 0.127 2.544 -3.653) 4.453 28.031 ( -1.622 -1.245 -1.550) 2.566 28.031 ( 1.622 1.245 -1.550) 2.566 29.002 ( -2.207 -0.172 11.013) 11.233 29.002 ( 2.207 0.172 11.013) 11.233 29.469 ( -1.060 -1.492 -0.713) 1.964 29.469 ( 1.060 1.492 -0.713) 1.964 29.867 ( -4.342 -0.019 22.143) 22.565 29.867 ( 4.342 0.019 22.143) 22.565 31.090 ( -6.620 -0.454 -16.556) 17.836 31.090 ( 6.620 0.454 -16.556) 17.836 ======================= Grid point 275 (91/108) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 0.000 0.650) 0.650 1.944 ( 0.000 0.000 -4.989) 4.989 2.339 ( 0.000 0.000 2.292) 2.292 2.348 ( 0.000 0.000 0.955) 0.955 3.083 ( 0.000 0.000 7.846) 7.846 3.196 ( 0.000 0.000 -3.514) 3.514 3.684 ( 0.000 0.000 19.120) 19.120 4.038 ( 0.000 0.000 -17.329) 17.329 4.304 ( 0.000 0.000 22.951) 22.951 4.727 ( 0.000 0.000 -20.260) 20.260 5.182 ( 0.000 0.000 5.277) 5.277 5.267 ( 0.000 0.000 -2.966) 2.966 5.338 ( 0.000 0.000 21.041) 21.041 5.659 ( 0.000 0.000 -10.879) 10.879 5.945 ( 0.000 0.000 4.631) 4.631 6.004 ( 0.000 0.000 -2.059) 2.059 6.387 ( 0.000 0.000 13.436) 13.436 6.664 ( 0.000 0.000 -13.724) 13.724 8.212 ( 0.000 0.000 12.718) 12.718 8.429 ( 0.000 0.000 -8.351) 8.351 8.488 ( 0.000 0.000 15.115) 15.115 8.644 ( 0.000 0.000 -1.619) 1.619 9.560 ( 0.000 0.000 13.665) 13.665 9.581 ( 0.000 0.000 19.296) 19.296 9.865 ( 0.000 0.000 -8.719) 8.719 9.932 ( 0.000 0.000 -21.569) 21.569 10.551 ( 0.000 0.000 11.249) 11.249 10.881 ( 0.000 0.000 -20.799) 20.799 11.504 ( 0.000 0.000 6.412) 6.412 11.715 ( 0.000 0.000 -14.342) 14.342 11.742 ( 0.000 0.000 -3.692) 3.692 11.866 ( 0.000 0.000 -15.337) 15.337 12.529 ( 0.000 0.000 16.948) 16.948 12.837 ( 0.000 0.000 -14.197) 14.197 13.793 ( 0.000 0.000 6.527) 6.527 13.926 ( 0.000 0.000 -6.495) 6.495 14.314 ( 0.000 0.000 13.810) 13.810 14.562 ( 0.000 0.000 -10.257) 10.257 14.996 ( 0.000 0.000 4.429) 4.429 15.091 ( 0.000 0.000 -4.283) 4.283 15.767 ( 0.000 0.000 20.325) 20.325 16.201 ( 0.000 0.000 15.128) 15.128 16.252 ( 0.000 0.000 -27.947) 27.947 16.598 ( 0.000 0.000 -25.117) 25.117 19.588 ( 0.000 0.000 0.960) 0.960 19.607 ( 0.000 0.000 -0.993) 0.993 20.494 ( 0.000 0.000 5.520) 5.520 20.578 ( 0.000 0.000 -3.348) 3.348 21.290 ( 0.000 0.000 0.912) 0.912 21.316 ( 0.000 0.000 -1.705) 1.705 22.605 ( 0.000 0.000 11.808) 11.808 22.729 ( 0.000 0.000 -0.906) 0.906 23.334 ( 0.000 0.000 5.657) 5.657 23.376 ( 0.000 0.000 0.549) 0.549 23.519 ( 0.000 0.000 5.662) 5.662 23.643 ( 0.000 0.000 -6.779) 6.779 24.636 ( 0.000 0.000 11.084) 11.084 24.830 ( 0.000 0.000 -7.570) 7.570 26.181 ( 0.000 0.000 1.568) 1.568 26.226 ( 0.000 0.000 -2.806) 2.806 27.727 ( 0.000 0.000 14.299) 14.299 28.000 ( 0.000 0.000 5.910) 5.910 28.034 ( 0.000 0.000 -16.363) 16.363 28.095 ( 0.000 0.000 -3.692) 3.692 28.574 ( 0.000 0.000 4.904) 4.904 28.679 ( 0.000 0.000 -5.607) 5.607 28.701 ( 0.000 0.000 5.756) 5.756 28.821 ( 0.000 0.000 -6.432) 6.432 30.076 ( 0.000 0.000 13.614) 13.614 30.298 ( 0.000 0.000 -8.595) 8.595 30.542 ( 0.000 0.000 12.923) 12.923 30.800 ( 0.000 0.000 -13.053) 13.053 ======================= Grid point 276 (92/108) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.731 0.000 0.283) 0.784 1.935 ( -0.747 0.000 -3.294) 3.378 2.342 ( 0.264 0.000 1.911) 1.929 2.348 ( -0.017 0.000 1.102) 1.102 3.074 ( -0.414 0.000 5.533) 5.548 3.139 ( -3.609 0.000 -0.960) 3.735 3.806 ( 8.979 0.000 13.166) 15.936 4.019 ( -0.893 0.000 -7.402) 7.456 4.380 ( 5.020 0.000 16.158) 16.920 4.636 ( -6.896 0.000 -6.337) 9.365 5.208 ( 2.506 0.000 2.298) 3.401 5.241 ( -0.277 0.000 -0.412) 0.497 5.484 ( 8.024 0.000 6.152) 10.111 5.635 ( -4.003 0.000 -5.812) 7.058 5.848 ( -4.244 0.000 4.787) 6.397 5.938 ( -2.687 0.000 -4.816) 5.515 6.530 ( 9.906 0.000 10.712) 14.591 6.738 ( 3.995 0.000 -10.189) 10.944 7.882 ( -16.066 0.000 13.363) 20.897 8.086 ( -19.736 0.000 -7.151) 20.991 8.787 ( 15.290 0.000 11.989) 19.430 8.887 ( 11.504 0.000 1.840) 11.650 9.519 ( -4.919 0.000 11.032) 12.079 9.524 ( -3.544 0.000 6.984) 7.832 9.894 ( 2.305 0.000 -3.866) 4.501 9.936 ( 0.129 0.000 -10.031) 10.031 10.652 ( 8.195 0.000 4.679) 9.437 10.867 ( -0.904 0.000 -15.530) 15.556 11.433 ( -4.950 0.000 3.636) 6.142 11.535 ( -9.269 0.000 -6.298) 11.206 11.876 ( 5.410 0.000 -11.041) 12.295 11.917 ( 3.215 0.000 -14.667) 15.015 12.602 ( 6.247 0.000 13.391) 14.776 12.835 ( -1.092 0.000 -9.819) 9.879 13.713 ( -4.565 0.000 3.796) 5.937 13.833 ( -7.207 0.000 -7.717) 10.559 14.410 ( 6.558 0.000 12.157) 13.813 14.564 ( -0.376 0.000 -1.846) 1.884 15.019 ( 1.625 0.000 -1.108) 1.967 15.072 ( -1.380 0.000 -4.827) 5.020 15.803 ( 3.500 0.000 19.668) 19.977 16.079 ( -7.262 0.000 7.479) 10.425 16.363 ( 6.179 0.000 -18.723) 19.716 16.571 ( -2.562 0.000 -24.537) 24.670 19.586 ( -0.090 0.000 0.744) 0.749 19.600 ( -0.574 0.000 -0.655) 0.871 20.546 ( 4.420 0.000 4.582) 6.367 20.614 ( 2.726 0.000 -2.609) 3.773 21.211 ( -6.054 0.000 0.290) 6.061 21.216 ( -7.366 0.000 -0.040) 7.366 22.706 ( 8.234 0.000 10.384) 13.252 22.808 ( 6.150 0.000 -0.116) 6.151 23.246 ( -6.611 0.000 6.131) 9.016 23.292 ( -6.368 0.000 0.818) 6.420 23.631 ( 8.305 0.000 4.600) 9.494 23.733 ( 6.121 0.000 -5.430) 8.183 24.553 ( -5.790 0.000 8.531) 10.310 24.703 ( -9.978 0.000 -5.784) 11.533 26.261 ( 6.103 0.000 1.575) 6.303 26.306 ( 5.470 0.000 -2.909) 6.195 27.659 ( -3.754 0.000 8.908) 9.666 27.812 ( -9.415 0.000 -4.895) 10.611 28.174 ( 5.069 0.000 -1.230) 5.216 28.179 ( 5.612 0.000 -3.057) 6.391 28.582 ( 0.705 0.000 5.054) 5.103 28.642 ( -2.027 0.000 2.500) 3.219 28.739 ( 2.093 0.000 -2.535) 3.287 28.809 ( -1.040 0.000 -6.284) 6.370 30.037 ( -2.445 0.000 10.354) 10.639 30.155 ( -8.356 0.000 -0.576) 8.376 30.679 ( 7.947 0.000 4.152) 8.966 30.821 ( 1.048 0.000 -9.308) 9.367 ======================= Grid point 277 (93/108) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -0.633 0.000 -0.831) 1.045 1.918 ( 0.633 0.000 -0.831) 1.045 2.347 ( -0.038 0.000 1.403) 1.404 2.347 ( 0.038 0.000 1.403) 1.404 3.083 ( -1.059 0.000 1.882) 2.160 3.083 ( 1.059 0.000 1.882) 2.160 3.972 ( -3.872 0.000 3.223) 5.038 3.972 ( 3.872 0.000 3.223) 5.038 4.490 ( -4.949 0.000 8.367) 9.722 4.490 ( 4.949 0.000 8.367) 9.722 5.252 ( -0.006 0.000 -1.105) 1.105 5.252 ( 0.006 0.000 -1.105) 1.105 5.547 ( -0.931 0.000 -0.594) 1.105 5.547 ( 0.931 0.000 -0.594) 1.105 5.885 ( -2.734 0.000 -1.185) 2.980 5.885 ( 2.734 0.000 -1.185) 2.980 6.721 ( -6.147 0.000 1.610) 6.354 6.721 ( 6.147 0.000 1.610) 6.354 7.763 ( -6.227 0.000 1.999) 6.540 7.763 ( 6.227 0.000 1.999) 6.540 9.006 ( -1.754 0.000 9.585) 9.744 9.006 ( 1.754 0.000 9.585) 9.744 9.450 ( -0.121 0.000 1.946) 1.949 9.450 ( 0.121 0.000 1.946) 1.949 9.931 ( -0.044 0.000 -1.927) 1.928 9.931 ( 0.044 0.000 -1.927) 1.928 10.818 ( -2.968 0.000 -4.438) 5.339 10.818 ( 2.968 0.000 -4.438) 5.339 11.387 ( -0.715 0.000 -2.010) 2.134 11.387 ( 0.715 0.000 -2.010) 2.134 11.948 ( -0.087 0.000 -13.331) 13.331 11.948 ( 0.087 0.000 -13.331) 13.331 12.753 ( -5.379 0.000 2.849) 6.087 12.753 ( 5.379 0.000 2.849) 6.087 13.697 ( -1.812 0.000 -4.374) 4.734 13.697 ( 1.812 0.000 -4.374) 4.734 14.525 ( -1.289 0.000 7.862) 7.967 14.525 ( 1.289 0.000 7.862) 7.967 15.047 ( -0.109 0.000 -5.458) 5.459 15.047 ( 0.109 0.000 -5.458) 5.459 15.919 ( -3.264 0.000 14.950) 15.302 15.919 ( 3.264 0.000 14.950) 15.302 16.488 ( -2.182 0.000 -22.363) 22.469 16.488 ( 2.182 0.000 -22.363) 22.469 19.589 ( -0.087 0.000 0.103) 0.135 19.589 ( 0.087 0.000 0.103) 0.135 20.636 ( -1.824 0.000 0.976) 2.069 20.636 ( 1.824 0.000 0.976) 2.069 21.117 ( -0.075 0.000 0.460) 0.466 21.117 ( 0.075 0.000 0.460) 0.466 22.873 ( -3.599 0.000 5.527) 6.595 22.873 ( 3.599 0.000 5.527) 6.595 23.164 ( -1.401 0.000 3.245) 3.535 23.164 ( 1.401 0.000 3.245) 3.535 23.784 ( -1.862 0.000 0.357) 1.896 23.784 ( 1.862 0.000 0.357) 1.896 24.515 ( -4.405 0.000 0.307) 4.416 24.515 ( 4.405 0.000 0.307) 4.416 26.362 ( -1.476 0.000 -0.457) 1.545 26.362 ( 1.476 0.000 -0.457) 1.545 27.654 ( -2.737 0.000 0.136) 2.740 27.654 ( 2.737 0.000 0.136) 2.740 28.240 ( -0.025 0.000 -0.774) 0.775 28.240 ( 0.025 0.000 -0.774) 0.775 28.604 ( -0.653 0.000 5.040) 5.082 28.604 ( 0.653 0.000 5.040) 5.082 28.780 ( -0.918 0.000 -5.530) 5.606 28.780 ( 0.918 0.000 -5.530) 5.606 30.029 ( -2.294 0.000 4.864) 5.378 30.029 ( 2.294 0.000 4.864) 5.378 30.804 ( -2.106 0.000 -2.697) 3.422 30.804 ( 2.106 0.000 -2.697) 3.422 ======================= Grid point 280 (94/108) ======================= q-point: ( 0.00 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 0.946 1.109) 1.458 1.956 ( 0.000 1.201 -4.699) 4.850 2.321 ( 0.000 -1.715 3.015) 3.469 2.345 ( 0.000 -0.352 0.369) 0.510 3.031 ( 0.000 -4.786 6.793) 8.310 3.132 ( 0.000 -5.907 -3.443) 6.837 3.747 ( 0.000 6.018 16.056) 17.147 4.030 ( 0.000 0.370 -12.883) 12.888 4.401 ( 0.000 8.069 18.376) 20.070 4.735 ( 0.000 0.185 -15.298) 15.299 5.178 ( 0.000 0.468 4.865) 4.888 5.272 ( 0.000 1.573 -3.668) 3.992 5.565 ( 0.000 20.350 15.173) 25.384 5.777 ( 0.000 10.667 -5.371) 11.943 6.063 ( 0.000 11.733 7.410) 13.877 6.182 ( 0.000 15.342 -4.801) 16.076 6.415 ( 0.000 3.154 12.346) 12.742 6.678 ( 0.000 1.448 -13.665) 13.742 8.165 ( 0.000 -4.245 13.198) 13.864 8.385 ( 0.000 -4.016 -8.408) 9.318 8.505 ( 0.000 1.618 12.333) 12.439 8.658 ( 0.000 1.437 -2.792) 3.140 9.515 ( 0.000 -3.594 19.235) 19.568 9.597 ( 0.000 1.579 18.115) 18.184 9.871 ( 0.000 0.551 -9.093) 9.110 9.969 ( 0.000 2.511 -23.394) 23.528 10.472 ( 0.000 -6.014 13.201) 14.507 10.838 ( 0.000 -4.340 -21.788) 22.216 11.629 ( 0.000 11.602 6.702) 13.399 11.667 ( 0.000 -6.763 0.066) 6.763 11.828 ( 0.000 -4.184 -16.016) 16.553 11.835 ( 0.000 10.530 -13.708) 17.285 12.478 ( 0.000 -4.329 12.837) 13.548 12.738 ( 0.000 -8.418 -12.874) 15.382 13.707 ( 0.000 -8.048 7.369) 10.912 13.848 ( 0.000 -7.162 -6.961) 9.988 14.250 ( 0.000 -6.346 13.948) 15.324 14.526 ( 0.000 -4.451 -13.433) 14.151 14.846 ( 0.000 -12.457 6.167) 13.900 15.006 ( 0.000 -9.250 -9.235) 13.071 15.852 ( 0.000 8.322 21.750) 23.288 16.333 ( 0.000 7.450 -26.606) 27.629 16.342 ( 0.000 12.824 15.852) 20.390 16.727 ( 0.000 11.624 -23.425) 26.150 19.485 ( 0.000 -8.178 5.050) 9.611 19.585 ( 0.000 -4.073 -5.115) 6.539 20.496 ( 0.000 0.566 7.716) 7.736 20.625 ( 0.000 3.988 -5.643) 6.910 21.208 ( 0.000 -6.506 5.200) 8.328 21.313 ( 0.000 -1.659 -5.638) 5.877 22.342 ( 0.000 -19.754 13.807) 24.101 22.545 ( 0.000 -16.453 -6.583) 17.721 23.284 ( 0.000 -2.961 7.712) 8.261 23.380 ( 0.000 0.060 -2.223) 2.224 23.705 ( 0.000 15.098 7.519) 16.867 23.832 ( 0.000 14.410 -5.196) 15.318 24.719 ( 0.000 7.232 10.017) 12.355 24.884 ( 0.000 4.782 -5.850) 7.556 26.125 ( 0.000 -4.875 2.551) 5.503 26.189 ( 0.000 -3.627 -3.747) 5.215 27.660 ( 0.000 -5.747 14.537) 15.632 27.983 ( 0.000 -5.239 -17.915) 18.665 28.001 ( 0.000 -0.007 5.549) 5.549 28.097 ( 0.000 -0.088 -4.149) 4.150 28.630 ( 0.000 5.494 6.449) 8.472 28.755 ( 0.000 7.043 -6.144) 9.346 28.780 ( 0.000 7.405 7.103) 10.261 28.913 ( 0.000 8.270 -6.481) 10.507 30.078 ( 0.000 0.271 14.663) 14.665 30.322 ( 0.000 2.321 -9.918) 10.186 30.508 ( 0.000 -2.966 15.143) 15.431 30.804 ( 0.000 0.244 -14.900) 14.902 ======================= Grid point 281 (95/108) ======================= q-point: ( 0.25 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.617 0.781 0.689) 1.210 1.947 ( -0.787 1.172 -3.246) 3.540 2.327 ( 0.437 -1.450 2.505) 2.927 2.345 ( -0.008 -0.325 0.562) 0.649 3.032 ( 0.263 -4.008 5.059) 6.460 3.099 ( -2.325 -4.178 -1.745) 5.090 3.807 ( 4.673 1.436 11.324) 12.334 3.978 ( -3.041 -2.156 -5.791) 6.887 4.521 ( 8.309 11.819 15.265) 21.018 4.772 ( 0.270 10.022 -8.661) 13.249 5.126 ( -0.713 -4.311 4.038) 5.950 5.219 ( -3.189 -1.623 -3.989) 5.358 5.634 ( 2.692 14.767 8.608) 17.303 5.757 ( -3.454 11.220 -2.623) 12.029 6.033 ( 0.558 16.748 5.922) 17.773 6.155 ( -0.457 17.594 -5.913) 18.566 6.520 ( 7.759 -0.252 10.722) 13.237 6.728 ( 2.142 -0.480 -10.198) 10.432 7.872 ( -14.816 -0.834 11.812) 18.966 8.072 ( -18.356 -1.229 -8.073) 20.091 8.776 ( 13.891 -0.838 11.249) 17.894 8.878 ( 11.457 -0.799 2.016) 11.661 9.428 ( -4.396 -4.678 12.068) 13.669 9.602 ( -5.011 2.875 3.205) 6.606 9.811 ( 0.541 -2.632 3.142) 4.134 10.046 ( 3.027 5.134 -11.086) 12.587 10.594 ( 9.526 -4.129 5.340) 11.675 10.849 ( 1.481 -2.229 -16.756) 16.968 11.464 ( -8.910 2.525 2.297) 9.542 11.620 ( -9.062 5.097 -10.589) 14.840 11.803 ( 5.011 -1.789 -1.172) 5.448 11.981 ( 5.312 3.281 -15.811) 16.999 12.524 ( 3.870 -6.501 9.904) 12.463 12.720 ( -1.990 -9.556 -9.201) 13.414 13.652 ( -3.494 -5.948 5.279) 8.687 13.781 ( -4.948 -5.509 -7.550) 10.576 14.298 ( 2.908 -9.705 12.012) 15.714 14.492 ( -1.729 -7.160 -5.988) 9.493 14.910 ( 3.208 -9.797 1.067) 10.364 15.026 ( 2.335 -6.619 -9.019) 11.429 15.863 ( 1.090 7.190 20.376) 21.635 16.187 ( -6.751 9.536 0.850) 11.715 16.469 ( 5.160 10.540 -10.413) 15.689 16.714 ( -1.080 12.327 -22.439) 25.624 19.491 ( 0.536 -8.007 3.831) 8.893 19.563 ( -1.782 -5.024 -3.492) 6.373 20.554 ( 4.930 0.920 6.444) 8.165 20.660 ( 2.549 3.930 -4.489) 6.488 21.127 ( -6.002 -6.288 4.468) 9.774 21.211 ( -7.745 -2.182 -4.149) 9.054 22.467 ( 10.079 -18.455 11.913) 24.168 22.635 ( 6.752 -16.064 -4.780) 18.070 23.186 ( -7.380 -2.926 7.289) 10.778 23.273 ( -8.200 -1.079 -1.552) 8.415 23.814 ( 7.996 14.601 6.114) 17.735 23.917 ( 6.056 13.856 -3.972) 15.635 24.641 ( -5.513 7.679 7.923) 12.334 24.770 ( -8.993 5.838 -4.344) 11.569 26.206 ( 6.098 -4.983 2.222) 8.182 26.262 ( 4.927 -4.295 -3.268) 7.308 27.604 ( -3.210 -4.711 9.677) 11.231 27.791 ( -9.306 -2.620 -7.293) 12.111 28.132 ( 4.735 -2.746 -0.704) 5.518 28.177 ( 4.893 -1.328 -4.223) 6.598 28.640 ( 0.922 5.804 6.629) 8.858 28.727 ( -1.803 7.467 2.620) 8.116 28.807 ( 1.756 6.719 -1.782) 7.169 28.899 ( -1.300 7.907 -6.352) 10.226 30.054 ( -1.408 1.660 11.653) 11.854 30.184 ( -7.678 2.794 0.218) 8.173 30.644 ( 7.517 -3.023 4.362) 9.201 30.816 ( 0.540 -0.621 -11.532) 11.562 ======================= Grid point 282 (96/108) ======================= q-point: (-0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 0.603 -0.276) 0.663 1.932 ( 0.000 1.241 -1.249) 1.761 2.334 ( 0.000 -1.164 1.935) 2.259 2.344 ( 0.000 -0.322 0.854) 0.913 3.042 ( 0.000 -3.395 2.537) 4.239 3.063 ( -0.000 -2.901 0.423) 2.931 3.891 ( -0.000 -2.983 4.729) 5.591 3.925 ( 0.000 -3.679 1.221) 3.877 4.672 ( -0.000 16.130 9.483) 18.711 4.699 ( 0.000 15.009 6.373) 16.306 5.146 ( -0.000 -5.879 -0.640) 5.913 5.201 ( 0.000 -4.063 -6.320) 7.513 5.662 ( 0.000 11.204 2.818) 11.552 5.662 ( -0.000 11.389 1.952) 11.555 6.088 ( 0.000 18.502 2.339) 18.650 6.153 ( 0.000 19.855 -3.991) 20.252 6.676 ( -0.000 -2.434 2.635) 3.587 6.691 ( 0.000 -2.763 0.704) 2.851 7.740 ( 0.000 -0.696 2.585) 2.677 7.798 ( -0.000 1.772 -2.119) 2.762 8.954 ( 0.000 -2.881 12.115) 12.453 9.014 ( -0.000 -0.976 9.485) 9.535 9.395 ( 0.000 -2.272 1.143) 2.543 9.480 ( 0.000 -1.196 -3.931) 4.109 9.836 ( -0.000 -0.726 11.734) 11.757 10.077 ( -0.000 5.659 -7.951) 9.759 10.742 ( -0.000 -3.018 0.921) 3.155 10.877 ( 0.000 1.857 -9.426) 9.607 11.340 ( 0.000 0.379 0.234) 0.446 11.494 ( 0.000 3.538 -11.799) 12.318 11.865 ( 0.000 -0.999 -1.582) 1.871 12.041 ( 0.000 3.067 -15.985) 16.276 12.600 ( 0.000 -10.854 4.282) 11.669 12.668 ( -0.000 -8.738 -2.458) 9.077 13.611 ( 0.000 -5.296 2.524) 5.866 13.711 ( 0.000 -3.099 -7.559) 8.169 14.330 ( 0.000 -12.664 10.213) 16.269 14.476 ( 0.000 -8.345 -2.180) 8.625 14.938 ( 0.000 -7.891 0.852) 7.936 15.069 ( 0.000 -4.338 -10.561) 11.418 15.886 ( 0.000 5.011 18.000) 18.684 16.095 ( -0.000 10.567 5.989) 12.146 16.533 ( -0.000 9.684 -13.625) 16.716 16.696 ( 0.000 13.602 -21.033) 25.048 19.504 ( 0.000 -7.526 1.744) 7.726 19.532 ( 0.000 -6.256 -1.055) 6.344 20.652 ( 0.000 2.003 2.817) 3.456 20.677 ( -0.000 3.068 0.270) 3.079 21.053 ( -0.000 -4.861 1.576) 5.110 21.088 ( 0.000 -3.610 -2.005) 4.129 22.651 ( -0.000 -18.452 7.943) 20.089 22.709 ( 0.000 -15.735 2.117) 15.877 23.105 ( 0.000 -1.273 1.961) 2.337 23.116 ( -0.000 -3.203 0.948) 3.340 23.939 ( -0.000 14.022 4.068) 14.601 23.991 ( 0.000 13.868 -0.711) 13.886 24.591 ( 0.000 7.246 1.887) 7.487 24.610 ( -0.000 7.686 0.020) 7.687 26.304 ( 0.000 -5.194 0.131) 5.195 26.313 ( -0.000 -4.853 -0.565) 4.885 27.581 ( -0.000 -4.504 3.269) 5.565 27.658 ( 0.000 -2.060 -3.902) 4.412 28.189 ( 0.000 -3.297 0.478) 3.331 28.234 ( 0.000 -1.883 -3.426) 3.910 28.659 ( 0.000 6.459 6.817) 9.392 28.698 ( 0.000 7.060 5.353) 8.860 28.838 ( 0.000 6.839 -4.998) 8.471 28.872 ( 0.000 7.238 -5.795) 9.272 30.050 ( -0.000 2.671 7.349) 7.819 30.078 ( 0.000 3.935 4.754) 6.171 30.743 ( 0.000 -3.793 -0.449) 3.819 30.812 ( -0.000 -1.014 -7.252) 7.323 ======================= Grid point 285 (97/108) ======================= q-point: ( 0.00 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.000 1.979 2.028) 2.833 1.991 ( 0.000 2.095 -4.088) 4.594 2.270 ( 0.000 -3.159 4.552) 5.541 2.332 ( 0.000 -1.046 -1.695) 1.992 2.912 ( 0.000 -6.349 3.698) 7.348 2.978 ( 0.000 -8.603 -3.066) 9.133 3.916 ( 0.000 10.219 10.424) 14.598 4.091 ( 0.000 5.922 -7.686) 9.703 4.536 ( 0.000 2.986 9.062) 9.541 4.701 ( 0.000 -3.844 -7.003) 7.988 5.250 ( 0.000 7.732 6.979) 10.416 5.389 ( 0.000 10.637 -5.672) 12.055 5.997 ( 0.000 12.291 9.663) 15.634 6.073 ( 0.000 22.568 3.792) 22.885 6.378 ( 0.000 17.442 9.734) 19.974 6.540 ( 0.000 17.428 -6.385) 18.561 6.550 ( 0.000 11.068 8.204) 13.777 6.747 ( 0.000 6.937 -12.412) 14.219 8.068 ( 0.000 -4.229 13.489) 14.137 8.291 ( 0.000 -4.233 -8.834) 9.796 8.542 ( 0.000 1.399 7.846) 7.970 8.703 ( 0.000 2.966 -6.618) 7.252 9.444 ( 0.000 -2.727 28.173) 28.304 9.649 ( 0.000 3.589 15.104) 15.525 9.887 ( 0.000 1.098 -8.871) 8.939 9.986 ( 0.000 -1.659 -23.793) 23.851 10.362 ( 0.000 -4.225 14.956) 15.541 10.726 ( 0.000 -6.046 -19.414) 20.334 11.497 ( 0.000 -9.302 5.095) 10.605 11.687 ( 0.000 -9.292 -14.355) 17.100 11.922 ( 0.000 16.058 5.228) 16.888 12.095 ( 0.000 14.281 -11.971) 18.634 12.390 ( 0.000 -3.523 4.750) 5.914 12.567 ( 0.000 -6.890 -12.250) 14.054 13.503 ( 0.000 -10.862 8.732) 13.937 13.666 ( 0.000 -10.019 -8.458) 13.112 14.055 ( 0.000 -12.762 13.687) 18.714 14.356 ( 0.000 -12.137 -16.804) 20.729 14.537 ( 0.000 -17.447 5.894) 18.416 14.731 ( 0.000 -16.976 -12.973) 21.366 16.087 ( 0.000 13.807 21.769) 25.778 16.525 ( 0.000 10.558 -22.743) 25.074 16.665 ( 0.000 17.697 15.935) 23.814 17.020 ( 0.000 16.177 -20.456) 26.080 19.269 ( 0.000 -12.942 8.368) 15.412 19.435 ( 0.000 -10.488 -8.534) 13.521 20.518 ( 0.000 1.362 11.010) 11.094 20.714 ( 0.000 4.260 -9.025) 9.980 21.048 ( 0.000 -8.583 10.394) 13.480 21.247 ( 0.000 -4.526 -10.096) 11.064 21.938 ( 0.000 -18.369 13.804) 22.978 22.171 ( 0.000 -18.578 -9.599) 20.911 23.260 ( 0.000 1.014 9.144) 9.200 23.403 ( 0.000 2.683 -5.290) 5.932 24.019 ( 0.000 14.465 7.615) 16.347 24.125 ( 0.000 13.416 -3.030) 13.754 24.884 ( 0.000 8.078 8.035) 11.394 24.995 ( 0.000 5.440 -2.480) 5.978 26.008 ( 0.000 -6.113 3.366) 6.978 26.088 ( 0.000 -5.893 -4.600) 7.475 27.528 ( 0.000 -6.673 12.970) 14.586 27.828 ( 0.000 -9.436 -17.170) 19.592 27.996 ( 0.000 -0.508 4.567) 4.595 28.083 ( 0.000 -1.239 -4.306) 4.481 28.786 ( 0.000 9.232 8.617) 12.629 28.938 ( 0.000 10.167 -6.725) 12.190 28.966 ( 0.000 9.779 8.414) 12.900 29.115 ( 0.000 10.486 -6.860) 12.530 30.090 ( 0.000 0.970 17.046) 17.074 30.386 ( 0.000 3.741 -12.910) 13.441 30.446 ( 0.000 -2.582 19.193) 19.366 30.811 ( 0.000 0.568 -18.122) 18.131 ======================= Grid point 286 (98/108) ======================= q-point: ( 0.25 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 0.437 1.855 1.542) 2.452 1.981 ( -0.748 2.150 -3.093) 3.841 2.284 ( 1.016 -2.742 3.769) 4.770 2.333 ( 0.102 -0.895 -1.217) 1.514 2.924 ( 1.004 -6.204 2.775) 6.870 2.972 ( -0.552 -7.857 -2.110) 8.154 3.892 ( -0.983 6.665 6.740) 9.530 3.990 ( -5.763 3.666 -3.467) 7.660 4.733 ( 13.912 5.807 9.557) 17.849 4.894 ( 13.911 -0.219 -6.120) 15.199 5.154 ( -6.939 9.155 6.125) 13.018 5.267 ( -8.156 8.506 -4.034) 12.456 5.998 ( -2.494 15.114 6.921) 16.810 6.063 ( -3.127 18.520 2.318) 18.925 6.394 ( 2.362 15.642 7.789) 17.633 6.517 ( 1.182 14.085 -3.628) 14.592 6.604 ( 3.977 12.005 7.573) 14.741 6.785 ( 1.407 9.384 -9.422) 13.372 7.854 ( -11.878 -0.710 8.595) 14.678 8.042 ( -15.267 -1.486 -9.694) 18.146 8.766 ( 11.993 -0.170 8.939) 14.959 8.866 ( 9.753 0.075 0.309) 9.758 9.340 ( -4.599 -3.450 17.742) 18.651 9.613 ( -10.477 -1.576 -6.328) 12.341 9.828 ( 4.952 3.896 12.947) 14.399 10.103 ( 3.515 0.572 -5.516) 6.566 10.526 ( 12.121 -2.588 1.427) 12.476 10.771 ( 4.947 -5.620 -16.050) 17.710 11.472 ( -3.296 -3.018 1.419) 4.689 11.607 ( -7.124 -3.240 -11.327) 13.768 11.915 ( 0.091 8.066 2.659) 8.493 12.049 ( -2.632 3.781 -9.254) 10.338 12.411 ( 1.184 -2.294 2.674) 3.717 12.552 ( -1.204 -4.461 -10.826) 11.771 13.483 ( -1.415 -9.846 6.699) 11.992 13.614 ( -3.664 -10.280 -6.770) 12.843 14.056 ( 0.031 -13.512 10.733) 17.256 14.288 ( -3.310 -12.512 -10.833) 16.878 14.626 ( 4.434 -17.701 1.635) 18.321 14.786 ( 4.336 -16.360 -12.563) 21.078 16.098 ( 0.969 14.789 20.135) 25.002 16.434 ( -5.419 13.919 -7.148) 16.559 16.749 ( 4.905 15.614 0.819) 16.387 17.009 ( -0.909 15.663 -18.912) 24.572 19.272 ( 0.471 -13.303 6.350) 14.748 19.392 ( -3.325 -11.478 -5.882) 13.319 20.578 ( 5.108 1.026 10.013) 11.287 20.749 ( 2.365 4.258 -7.036) 8.558 20.977 ( -4.989 -7.798 8.238) 12.392 21.143 ( -7.872 -3.892 -8.373) 12.134 22.078 ( 10.673 -18.280 10.851) 23.787 22.257 ( 6.132 -19.116 -6.939) 21.241 23.172 ( -6.351 1.691 7.534) 9.998 23.283 ( -9.200 2.428 -3.564) 10.160 24.117 ( 7.365 14.020 6.055) 16.955 24.199 ( 5.458 12.991 -2.003) 14.233 24.816 ( -4.936 8.573 6.719) 11.959 24.904 ( -7.155 6.600 -1.590) 9.864 26.081 ( 5.485 -6.791 2.736) 9.148 26.144 ( 3.745 -6.860 -3.472) 8.552 27.494 ( -1.949 -5.681 9.014) 10.831 27.696 ( -8.279 -6.483 -10.280) 14.705 28.072 ( 3.819 -2.899 0.989) 4.896 28.132 ( 3.333 -2.722 -4.303) 6.086 28.803 ( 1.540 9.461 8.482) 12.800 28.910 ( -2.249 9.747 3.460) 10.584 28.986 ( 1.701 9.926 -1.645) 10.204 29.091 ( -2.085 10.088 -6.558) 12.211 30.100 ( 1.046 2.682 15.014) 15.287 30.259 ( -5.986 4.226 4.468) 8.582 30.582 ( 6.683 -2.450 1.098) 7.202 30.800 ( -1.114 -0.685 -15.701) 15.755 ======================= Grid point 287 (99/108) ======================= q-point: (-0.50 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 1.725 0.648) 1.843 1.969 ( 0.000 2.276 -1.719) 2.853 2.298 ( 0.000 -2.332 2.901) 3.722 2.334 ( 0.000 -0.763 -0.608) 0.975 2.943 ( 0.000 -6.152 1.190) 6.266 2.959 ( -0.000 -7.048 -0.479) 7.064 3.898 ( -0.000 3.570 2.115) 4.149 3.911 ( 0.000 2.857 1.002) 3.027 4.967 ( -0.000 5.882 10.306) 11.866 5.009 ( 0.000 12.715 8.245) 15.154 5.115 ( 0.000 8.091 -2.581) 8.493 5.150 ( -0.000 1.328 -8.211) 8.317 5.942 ( -0.000 13.148 5.380) 14.206 5.981 ( 0.000 17.512 1.733) 17.597 6.450 ( 0.000 12.415 5.386) 13.533 6.529 ( 0.000 13.397 -2.570) 13.641 6.707 ( 0.000 8.821 4.047) 9.705 6.764 ( 0.000 15.805 -1.199) 15.851 7.732 ( 0.000 -0.265 1.292) 1.319 7.829 ( -0.000 1.134 -7.865) 7.946 8.914 ( 0.000 -0.289 12.687) 12.691 8.977 ( -0.000 -2.373 7.719) 8.075 9.354 ( 0.000 -1.576 2.092) 2.620 9.409 ( -0.000 -4.394 -1.683) 4.705 9.892 ( -0.000 4.860 14.100) 14.915 10.136 ( 0.000 0.439 -3.328) 3.357 10.700 ( 0.000 -1.794 -1.227) 2.173 10.870 ( 0.000 -3.698 -11.004) 11.609 11.401 ( 0.000 5.260 -2.768) 5.944 11.483 ( 0.000 -2.145 -10.982) 11.190 11.925 ( 0.000 3.008 1.116) 3.209 12.021 ( 0.000 -5.813 -6.902) 9.024 12.425 ( -0.000 -2.705 1.667) 3.178 12.534 ( 0.000 -1.600 -9.864) 9.993 13.464 ( 0.000 -9.032 5.140) 10.393 13.566 ( 0.000 -10.357 -5.570) 11.760 14.056 ( 0.000 -13.860 8.325) 16.168 14.252 ( 0.000 -12.836 -9.472) 15.953 14.674 ( 0.000 -17.651 2.583) 17.839 14.847 ( 0.000 -16.610 -13.151) 21.186 16.114 ( 0.000 15.822 17.934) 23.916 16.363 ( -0.000 15.337 -1.145) 15.380 16.812 ( -0.000 15.838 -4.608) 16.495 16.994 ( 0.000 14.863 -16.841) 22.462 19.288 ( 0.000 -13.496 2.988) 13.823 19.338 ( 0.000 -12.616 -2.002) 12.774 20.692 ( 0.000 0.991 7.981) 8.043 20.732 ( -0.000 1.403 4.022) 4.260 20.955 ( -0.000 -3.629 -2.290) 4.291 20.999 ( 0.000 -4.044 -6.853) 7.957 22.250 ( -0.000 -19.017 6.461) 20.085 22.325 ( 0.000 -19.803 -1.012) 19.829 23.111 ( 0.000 2.557 1.727) 3.086 23.120 ( -0.000 2.655 0.795) 2.772 24.233 ( -0.000 13.649 3.909) 14.198 24.269 ( 0.000 12.733 0.572) 12.746 24.761 ( 0.000 8.491 3.047) 9.021 24.781 ( -0.000 8.190 1.094) 8.263 26.168 ( 0.000 -7.664 0.515) 7.682 26.181 ( -0.000 -7.588 -0.488) 7.604 27.482 ( -0.000 -5.033 3.407) 6.078 27.578 ( 0.000 -5.358 -5.773) 7.876 28.117 ( 0.000 -3.571 1.044) 3.720 28.174 ( 0.000 -3.685 -4.184) 5.576 28.839 ( -0.000 10.373 7.926) 13.054 28.864 ( 0.000 8.781 6.977) 11.215 29.027 ( 0.000 10.717 -5.467) 12.031 29.044 ( 0.000 8.937 -5.404) 10.444 30.128 ( -0.000 4.696 11.678) 12.587 30.175 ( 0.000 5.079 8.799) 10.160 30.671 ( 0.000 -2.651 -3.640) 4.503 30.774 ( -0.000 -2.288 -12.287) 12.498 ======================= Grid point 290 (100/108) ======================= q-point: ( 0.00 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.000 2.437 2.622) 3.579 2.036 ( 0.000 2.187 -3.330) 3.984 2.205 ( 0.000 -2.902 4.370) 5.246 2.299 ( 0.000 -2.265 -4.749) 5.262 2.784 ( 0.000 -6.105 1.026) 6.191 2.813 ( 0.000 -6.753 -1.973) 7.036 4.139 ( 0.000 10.917 6.466) 12.688 4.254 ( 0.000 9.386 -5.534) 10.896 4.507 ( 0.000 -4.557 4.422) 6.350 4.599 ( 0.000 -5.511 -4.633) 7.199 5.492 ( 0.000 14.910 10.759) 18.386 5.680 ( 0.000 16.801 -7.091) 18.236 6.151 ( 0.000 4.682 16.281) 16.941 6.390 ( 0.000 5.717 -5.626) 8.021 6.676 ( 0.000 9.450 7.662) 12.166 6.789 ( 0.000 5.408 -3.085) 6.226 6.882 ( 0.000 20.625 10.002) 22.922 7.047 ( 0.000 22.186 -8.329) 23.698 8.041 ( 0.000 2.240 12.657) 12.854 8.264 ( 0.000 2.603 -9.571) 9.919 8.517 ( 0.000 -4.899 9.582) 10.762 8.761 ( 0.000 1.486 -13.916) 13.995 9.432 ( 0.000 2.170 28.586) 28.668 9.741 ( 0.000 5.406 11.252) 12.483 9.905 ( 0.000 -5.214 -18.196) 18.928 9.923 ( 0.000 2.652 -7.610) 8.059 10.303 ( 0.000 -1.913 14.203) 14.331 10.600 ( 0.000 -6.405 -14.150) 15.532 11.308 ( 0.000 -8.783 7.123) 11.308 11.493 ( 0.000 -8.833 -11.148) 14.223 12.245 ( 0.000 14.859 4.579) 15.548 12.353 ( 0.000 0.026 -0.620) 0.621 12.390 ( 0.000 14.403 -9.996) 17.532 12.492 ( 0.000 -0.357 -13.956) 13.961 13.310 ( 0.000 -7.221 8.103) 10.854 13.476 ( 0.000 -7.658 -9.905) 12.520 13.747 ( 0.000 -16.853 13.206) 21.411 14.054 ( 0.000 -16.735 -18.018) 24.591 14.151 ( 0.000 -20.198 4.787) 20.757 14.345 ( 0.000 -20.362 -14.032) 24.729 16.372 ( 0.000 13.363 18.985) 23.216 16.730 ( 0.000 8.959 -17.337) 19.515 17.026 ( 0.000 17.334 15.654) 23.356 17.352 ( 0.000 15.826 -17.550) 23.632 18.976 ( 0.000 -15.123 9.642) 17.935 19.176 ( 0.000 -14.426 -10.481) 17.831 20.538 ( 0.000 0.310 13.490) 13.493 20.781 ( 0.000 1.969 -11.121) 11.294 20.885 ( 0.000 -6.963 13.864) 15.515 21.147 ( 0.000 -4.895 -13.064) 13.951 21.636 ( 0.000 -10.746 10.609) 15.100 21.834 ( 0.000 -13.969 -9.004) 16.620 23.317 ( 0.000 4.017 9.937) 10.718 23.489 ( 0.000 5.356 -7.546) 9.254 24.267 ( 0.000 9.663 7.479) 12.220 24.357 ( 0.000 9.178 -1.693) 9.332 25.022 ( 0.000 5.175 6.540) 8.340 25.089 ( 0.000 3.660 0.258) 3.669 25.895 ( 0.000 -4.685 2.779) 5.447 25.966 ( 0.000 -5.702 -4.317) 7.152 27.407 ( 0.000 -4.865 8.837) 10.088 27.627 ( 0.000 -9.753 -13.116) 16.344 27.983 ( 0.000 -0.659 3.409) 3.472 28.053 ( 0.000 -1.536 -3.726) 4.031 28.973 ( 0.000 8.455 9.737) 12.896 29.138 ( 0.000 8.834 -6.838) 11.171 29.143 ( 0.000 7.154 9.189) 11.646 29.303 ( 0.000 7.423 -7.146) 10.304 30.117 ( 0.000 1.649 19.529) 19.599 30.417 ( 0.000 -0.122 22.129) 22.129 30.466 ( 0.000 3.923 -15.911) 16.388 30.832 ( 0.000 1.513 -20.313) 20.369 ======================= Grid point 291 (101/108) ======================= q-point: ( 0.25 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.279 2.273 2.118) 3.119 2.027 ( -0.721 2.088 -2.641) 3.443 2.224 ( 1.395 -2.789 3.723) 4.856 2.305 ( 0.406 -1.998 -4.106) 4.585 2.794 ( 0.746 -6.385 0.622) 6.459 2.815 ( 0.108 -6.516 -1.551) 6.698 4.051 ( -4.265 8.130 3.228) 9.732 4.108 ( -7.194 7.157 -2.759) 10.516 4.739 ( 15.033 -3.220 5.315) 16.267 4.834 ( 14.619 -4.156 -4.013) 15.719 5.436 ( -3.444 16.530 8.471) 18.891 5.543 ( -8.881 16.612 -1.281) 18.881 6.187 ( -0.906 5.858 8.003) 9.960 6.320 ( -6.546 4.720 -4.441) 9.211 6.681 ( -0.011 10.615 8.609) 13.667 6.735 ( 1.164 9.175 5.621) 10.823 6.945 ( 2.818 17.593 5.578) 18.670 7.120 ( 5.178 20.795 -9.403) 23.402 7.861 ( -10.864 2.145 6.122) 12.653 8.027 ( -14.034 0.450 -9.956) 17.213 8.734 ( 12.399 -4.277 10.023) 16.507 8.899 ( 7.318 2.495 -5.966) 9.766 9.328 ( -4.518 3.387 19.884) 20.670 9.578 ( -11.771 -0.478 -4.668) 12.671 9.930 ( 6.268 5.360 10.447) 13.310 10.101 ( 3.937 0.254 -1.633) 4.270 10.462 ( 12.579 -4.324 0.055) 13.301 10.624 ( 4.004 -8.115 -11.821) 14.886 11.366 ( 4.477 -6.552 4.365) 9.057 11.527 ( 2.011 -4.644 -11.445) 12.514 12.043 ( -13.135 3.832 1.988) 13.826 12.102 ( -13.866 3.554 -4.234) 14.927 12.513 ( 4.361 9.515 -4.555) 11.415 12.570 ( 2.828 6.742 -10.178) 12.532 13.298 ( -0.838 -7.345 5.182) 9.028 13.401 ( -4.891 -9.440 -5.246) 11.855 13.765 ( 0.873 -14.633 8.188) 16.790 13.995 ( -2.743 -16.023 -12.388) 20.439 14.222 ( 3.502 -21.038 0.945) 21.348 14.394 ( 3.511 -21.405 -13.992) 25.812 16.414 ( 3.341 15.265 17.954) 23.801 16.714 ( -1.642 12.765 -9.500) 15.997 17.063 ( 3.386 14.707 7.483) 16.845 17.320 ( -2.703 14.404 -15.731) 21.500 18.969 ( -0.201 -15.671 7.079) 17.196 19.115 ( -4.689 -15.107 -7.612) 17.554 20.583 ( 3.870 -0.585 13.265) 13.830 20.798 ( -1.510 -1.667 1.132) 2.518 20.848 ( 0.218 -2.506 1.136) 2.760 21.071 ( -5.805 -3.041 -11.972) 13.648 21.768 ( 9.921 -11.576 7.720) 17.089 21.911 ( 5.461 -14.052 -6.437) 16.392 23.240 ( -5.403 4.346 7.655) 10.328 23.365 ( -9.484 5.078 -4.949) 11.842 24.359 ( 7.003 9.548 5.813) 13.191 24.426 ( 5.134 9.055 -0.797) 10.440 24.964 ( -4.391 5.616 5.857) 9.226 25.019 ( -5.619 4.483 0.679) 7.220 25.950 ( 4.099 -5.712 2.038) 7.320 26.002 ( 2.418 -6.592 -3.164) 7.701 27.389 ( -0.982 -4.335 6.113) 7.558 27.547 ( -5.779 -7.565 -9.441) 13.407 28.022 ( 2.440 -1.989 1.845) 3.649 28.076 ( 1.641 -2.588 -3.464) 4.625 28.991 ( 1.578 8.312 9.320) 12.588 29.093 ( -2.562 7.650 5.246) 9.624 29.178 ( 1.831 8.417 -2.647) 9.012 29.278 ( -2.085 7.777 -6.654) 10.446 30.154 ( 3.149 2.422 18.863) 19.277 30.339 ( -4.293 3.216 14.439) 15.403 30.563 ( 5.667 0.742 -9.134) 10.775 30.799 ( -2.890 0.787 -19.085) 19.318 ======================= Grid point 292 (102/108) ======================= q-point: (-0.50 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 2.151 1.281) 2.504 2.015 ( 0.000 2.016 -1.620) 2.586 2.243 ( 0.000 -2.751 3.005) 4.075 2.310 ( 0.000 -1.737 -3.395) 3.814 2.806 ( 0.000 -7.126 -0.028) 7.126 2.815 ( -0.000 -5.808 -0.855) 5.871 4.012 ( 0.000 6.821 0.580) 6.846 4.024 ( -0.000 7.309 -0.438) 7.322 4.938 ( 0.000 -4.301 5.469) 6.958 5.027 ( 0.000 -4.748 -3.013) 5.623 5.411 ( 0.000 16.415 4.448) 17.006 5.419 ( -0.000 18.223 3.826) 18.620 6.120 ( -0.000 5.743 7.518) 9.461 6.227 ( 0.000 5.848 -4.381) 7.307 6.679 ( 0.000 12.906 10.045) 16.354 6.787 ( 0.000 11.308 -2.849) 11.662 6.984 ( -0.000 13.336 11.328) 17.498 7.186 ( 0.000 20.790 -6.694) 21.841 7.730 ( 0.000 1.343 0.520) 1.441 7.844 ( -0.000 0.852 -9.943) 9.979 8.903 ( 0.000 -6.001 8.098) 10.079 8.954 ( 0.000 2.998 4.701) 5.576 9.357 ( 0.000 0.985 5.639) 5.725 9.369 ( -0.000 4.602 5.259) 6.988 9.994 ( 0.000 4.599 8.726) 9.863 10.130 ( 0.000 -0.162 -0.475) 0.502 10.643 ( 0.000 -3.983 -3.732) 5.459 10.713 ( 0.000 -10.345 -6.453) 12.193 11.482 ( 0.000 0.944 -6.275) 6.346 11.490 ( -0.000 0.454 -5.892) 5.910 11.884 ( -0.000 -4.264 0.629) 4.310 11.900 ( 0.000 -1.984 -1.566) 2.527 12.563 ( 0.000 13.756 -4.752) 14.553 12.591 ( -0.000 5.330 -7.598) 9.281 13.288 ( 0.000 -6.665 2.544) 7.134 13.338 ( 0.000 -10.839 -3.131) 11.282 13.773 ( 0.000 -13.749 5.655) 14.867 13.965 ( 0.000 -15.266 -11.618) 19.184 14.262 ( 0.000 -21.751 1.976) 21.840 14.440 ( 0.000 -22.389 -14.336) 26.585 16.466 ( 0.000 17.633 16.301) 24.013 16.683 ( -0.000 15.128 -1.723) 15.226 17.126 ( 0.000 14.236 -1.589) 14.324 17.271 ( 0.000 11.830 -12.280) 17.052 18.978 ( 0.000 -16.085 2.883) 16.342 19.040 ( 0.000 -15.914 -3.258) 16.244 20.673 ( 0.000 -2.366 14.034) 14.232 20.710 ( 0.000 -3.042 11.124) 11.532 20.926 ( -0.000 0.063 -9.208) 9.208 20.951 ( 0.000 -1.137 -12.480) 12.532 21.926 ( -0.000 -12.175 3.053) 12.552 21.968 ( 0.000 -14.218 -1.043) 14.256 23.196 ( -0.000 5.038 1.327) 5.210 23.200 ( 0.000 4.685 0.853) 4.762 24.471 ( 0.000 9.536 3.384) 10.118 24.492 ( -0.000 8.935 1.513) 9.063 24.910 ( 0.000 5.784 3.619) 6.823 24.921 ( -0.000 5.356 2.424) 5.879 26.013 ( 0.000 -7.031 0.195) 7.034 26.027 ( -0.000 -7.112 -0.854) 7.163 27.386 ( 0.000 -4.150 1.994) 4.604 27.461 ( 0.000 -5.721 -5.310) 7.805 28.052 ( 0.000 -2.657 1.174) 2.905 28.098 ( 0.000 -3.553 -3.254) 4.818 29.032 ( -0.000 7.296 7.985) 10.816 29.040 ( 0.000 8.549 8.054) 11.745 29.215 ( 0.000 7.615 -4.587) 8.890 29.235 ( -0.000 9.009 -5.880) 10.758 30.222 ( -0.000 4.095 17.114) 17.597 30.261 ( 0.000 2.970 17.030) 17.287 30.656 ( 0.000 1.230 -12.434) 12.494 30.738 ( -0.000 -0.942 -16.960) 16.986 ======================= Grid point 295 (103/108) ======================= q-point: ( 0.00 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 1.721 2.664) 3.172 2.073 ( 0.000 1.352 -2.552) 2.888 2.164 ( 0.000 -0.986 1.366) 1.685 2.241 ( 0.000 -3.083 -6.261) 6.978 2.684 ( 0.000 -3.141 1.006) 3.298 2.710 ( 0.000 -3.708 -1.594) 4.036 4.324 ( 0.000 6.553 5.790) 8.744 4.410 ( 0.000 -4.010 4.143) 5.766 4.439 ( 0.000 7.724 -6.060) 9.817 4.499 ( 0.000 -3.867 -5.036) 6.349 5.801 ( 0.000 13.969 13.479) 19.411 6.026 ( 0.000 16.066 -8.014) 17.954 6.225 ( 0.000 3.087 13.026) 13.387 6.404 ( 0.000 -2.174 -4.512) 5.008 6.701 ( 0.000 -6.239 5.574) 8.367 6.788 ( 0.000 -3.488 -2.609) 4.356 7.300 ( 0.000 19.290 16.675) 25.499 7.526 ( 0.000 21.290 -6.345) 22.216 8.135 ( 0.000 5.438 13.989) 15.009 8.347 ( 0.000 -9.920 12.145) 15.682 8.380 ( 0.000 6.776 -10.183) 12.232 8.687 ( 0.000 -9.634 -21.580) 23.633 9.546 ( 0.000 8.631 19.635) 21.449 9.820 ( 0.000 -3.195 -8.137) 8.742 9.859 ( 0.000 5.801 7.199) 9.246 9.989 ( 0.000 3.084 -6.053) 6.793 10.276 ( 0.000 -0.559 10.853) 10.867 10.466 ( 0.000 -6.612 -7.653) 10.114 11.172 ( 0.000 -3.825 6.384) 7.442 11.334 ( 0.000 -6.929 -8.229) 10.758 12.401 ( 0.000 4.726 -2.677) 5.432 12.484 ( 0.000 7.886 7.681) 11.009 12.527 ( 0.000 2.357 -14.411) 14.603 12.678 ( 0.000 13.212 -10.201) 16.692 13.226 ( 0.000 -0.655 6.116) 6.151 13.407 ( 0.000 2.061 -12.375) 12.545 13.418 ( 0.000 -13.750 12.162) 18.357 13.722 ( 0.000 -14.470 -18.587) 23.555 13.736 ( 0.000 -19.898 4.877) 20.487 13.933 ( 0.000 -19.354 -14.012) 23.894 16.599 ( 0.000 8.277 15.451) 17.528 16.870 ( 0.000 4.620 -12.044) 12.900 17.347 ( 0.000 13.372 15.265) 20.294 17.633 ( 0.000 10.738 -13.364) 17.144 18.698 ( 0.000 -10.709 7.196) 12.902 18.881 ( 0.000 -13.485 -10.755) 17.248 20.530 ( 0.000 -0.817 14.890) 14.913 20.777 ( 0.000 -3.575 15.219) 15.634 20.795 ( 0.000 -0.214 -11.950) 11.952 21.064 ( 0.000 -2.984 -14.268) 14.577 21.502 ( 0.000 -2.852 5.289) 6.009 21.615 ( 0.000 -7.564 -5.823) 9.546 23.398 ( 0.000 3.353 10.765) 11.275 23.594 ( 0.000 4.250 -9.201) 10.135 24.410 ( 0.000 4.536 7.684) 8.923 24.496 ( 0.000 4.510 -1.200) 4.667 25.090 ( 0.000 1.667 6.557) 6.765 25.145 ( 0.000 1.880 0.934) 2.099 25.826 ( 0.000 -2.017 1.134) 2.314 25.868 ( 0.000 -3.720 -3.072) 4.825 27.341 ( 0.000 -1.451 3.523) 3.810 27.453 ( 0.000 -6.918 -7.673) 10.331 27.972 ( 0.000 -0.388 2.532) 2.561 28.027 ( 0.000 -0.942 -3.106) 3.245 29.109 ( 0.000 4.648 10.248) 11.253 29.248 ( 0.000 3.227 9.453) 9.988 29.279 ( 0.000 4.843 -6.855) 8.393 29.409 ( 0.000 3.117 -6.847) 7.523 30.151 ( 0.000 1.418 21.234) 21.281 30.432 ( 0.000 1.145 23.254) 23.282 30.535 ( 0.000 2.575 -17.857) 18.042 30.866 ( 0.000 1.545 -21.133) 21.189 ======================= Grid point 296 (104/108) ======================= q-point: ( 0.25 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.035 1.388 1.984) 2.421 2.059 ( -1.063 0.925 -1.970) 2.422 2.185 ( 1.473 -0.784 1.118) 2.008 2.254 ( 0.791 -2.780 -5.634) 6.332 2.691 ( 0.535 -3.131 0.898) 3.301 2.715 ( 0.360 -3.604 -1.474) 3.911 4.191 ( -4.610 5.168 2.228) 7.275 4.245 ( -6.959 5.398 -3.286) 9.400 4.659 ( 13.495 -3.802 5.336) 15.001 4.758 ( 12.177 -2.829 -4.650) 13.338 5.769 ( -2.080 14.892 10.169) 18.152 5.881 ( -8.151 15.342 0.310) 17.375 6.289 ( -0.893 3.237 4.049) 5.260 6.346 ( -5.431 -0.070 -0.490) 5.453 6.742 ( 4.818 -2.210 5.595) 7.707 6.806 ( 6.267 -2.710 1.959) 7.103 7.285 ( -3.374 14.549 12.056) 19.194 7.502 ( -4.779 13.496 -7.721) 16.267 7.969 ( -6.644 7.871 3.154) 10.772 8.069 ( -13.961 3.459 -7.130) 16.054 8.589 ( 11.575 -8.261 15.363) 20.935 8.880 ( 7.238 -5.246 -13.283) 16.011 9.486 ( -2.022 10.801 13.548) 17.444 9.631 ( -7.568 4.614 -1.025) 8.922 10.019 ( 5.207 2.894 7.042) 9.223 10.131 ( 4.896 2.374 -3.695) 6.577 10.365 ( 8.829 -3.816 3.450) 10.219 10.468 ( 3.511 -7.100 -5.996) 9.934 11.242 ( 5.887 -4.636 5.499) 9.295 11.415 ( 5.968 -6.170 -9.687) 12.943 12.097 ( -17.634 3.766 2.513) 18.206 12.227 ( -17.456 5.329 -8.967) 20.335 12.647 ( 5.801 6.523 2.785) 9.163 12.818 ( 4.854 11.550 -13.683) 18.553 13.195 ( -1.854 -1.923 5.537) 6.148 13.295 ( -4.260 -0.602 -2.599) 5.026 13.512 ( 2.213 -7.839 0.839) 8.188 13.654 ( -1.609 -16.721 -6.900) 18.160 13.818 ( 2.888 -17.306 -5.376) 18.350 13.952 ( 1.629 -20.992 -14.160) 25.374 16.681 ( 6.701 10.117 14.975) 19.275 16.920 ( 2.991 6.885 -8.020) 10.985 17.331 ( -0.248 11.112 10.908) 15.573 17.570 ( -5.470 9.347 -11.836) 16.043 18.681 ( -0.913 -11.167 4.608) 12.115 18.815 ( -5.119 -13.300 -8.488) 16.587 20.561 ( 2.677 -1.235 14.686) 14.979 20.724 ( -3.647 -3.045 12.454) 13.329 20.840 ( 3.136 -0.486 -9.623) 10.133 21.018 ( -3.805 -2.116 -13.635) 14.313 21.616 ( 8.777 -3.631 4.017) 10.313 21.700 ( 6.154 -6.811 -4.318) 10.144 23.324 ( -5.110 3.373 8.076) 10.135 23.463 ( -9.948 3.930 -6.014) 12.271 24.502 ( 6.962 4.561 5.913) 10.209 24.564 ( 5.098 4.522 -0.386) 6.825 25.040 ( -3.854 2.026 6.098) 7.493 25.086 ( -4.822 2.192 1.392) 5.477 25.861 ( 2.588 -2.860 0.536) 3.894 25.891 ( 1.580 -4.059 -2.501) 5.023 27.328 ( -0.800 -1.524 2.305) 2.877 27.410 ( -3.255 -5.488 -5.906) 8.695 27.993 ( 1.467 -0.914 1.528) 2.307 28.033 ( 0.410 -1.526 -2.619) 3.059 29.123 ( 1.171 4.453 9.606) 10.652 29.207 ( -2.399 3.503 6.466) 7.735 29.315 ( 1.970 4.864 -3.515) 6.316 29.395 ( -1.153 3.654 -6.304) 7.377 30.194 ( 3.693 1.387 21.185) 21.549 30.385 ( -3.637 1.437 20.823) 21.187 30.598 ( 4.913 2.051 -16.276) 17.124 30.826 ( -3.585 1.439 -20.499) 20.860 ======================= Grid point 297 (105/108) ======================= q-point: (-0.50 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 1.262 0.960) 1.585 2.042 ( -0.000 0.555 -0.973) 1.120 2.204 ( 0.000 -0.706 0.805) 1.071 2.263 ( 0.000 -2.634 -5.029) 5.677 2.698 ( 0.000 -3.129 0.794) 3.228 2.720 ( 0.000 -3.481 -1.328) 3.726 4.148 ( 0.000 5.928 0.309) 5.936 4.168 ( -0.000 5.854 -1.656) 6.084 4.840 ( 0.000 -4.307 3.939) 5.837 4.905 ( 0.000 -6.439 -2.402) 6.872 5.741 ( 0.000 15.342 6.438) 16.638 5.781 ( -0.000 16.072 3.196) 16.387 6.218 ( 0.000 3.143 8.212) 8.793 6.276 ( 0.000 -0.892 1.103) 1.419 6.888 ( 0.000 6.921 2.857) 7.488 6.928 ( -0.000 3.250 -2.819) 4.302 7.176 ( 0.000 5.227 11.821) 12.925 7.378 ( 0.000 -2.671 -6.804) 7.309 7.913 ( 0.000 6.887 -1.543) 7.057 7.927 ( -0.000 16.127 -3.378) 16.477 8.735 ( 0.000 -8.067 13.291) 15.548 8.930 ( 0.000 -6.536 -5.011) 8.236 9.497 ( 0.000 10.838 6.732) 12.759 9.532 ( 0.000 9.056 3.854) 9.842 10.065 ( 0.000 2.532 5.385) 5.951 10.145 ( 0.000 1.245 -1.368) 1.850 10.530 ( 0.000 -6.173 -0.779) 6.222 10.544 ( -0.000 -5.349 -2.636) 5.964 11.402 ( 0.000 -6.076 -1.490) 6.256 11.438 ( 0.000 -5.433 -5.759) 7.917 11.879 ( 0.000 4.063 2.080) 4.564 11.959 ( 0.000 4.165 -6.542) 7.756 12.713 ( 0.000 6.922 2.844) 7.484 12.858 ( 0.000 11.451 -11.317) 16.099 13.182 ( -0.000 -1.995 1.709) 2.627 13.240 ( 0.000 1.900 -3.779) 4.230 13.526 ( 0.000 -9.295 2.024) 9.513 13.644 ( 0.000 -15.421 -7.297) 17.060 13.848 ( 0.000 -17.376 -4.130) 17.860 13.976 ( 0.000 -22.183 -14.583) 26.547 16.794 ( 0.000 13.749 13.540) 19.296 16.934 ( 0.000 8.415 1.655) 8.576 17.372 ( 0.000 9.663 -1.003) 9.715 17.457 ( 0.000 6.052 -7.359) 9.528 18.682 ( 0.000 -11.609 0.293) 11.613 18.732 ( -0.000 -13.101 -4.632) 13.895 20.627 ( -0.000 -1.684 14.660) 14.756 20.646 ( 0.000 -2.671 13.423) 13.686 20.922 ( -0.000 -0.718 -11.637) 11.659 20.926 ( 0.000 -1.339 -12.630) 12.701 21.760 ( -0.000 -4.627 0.452) 4.649 21.768 ( 0.000 -5.652 -0.155) 5.654 23.288 ( -0.000 3.488 0.959) 3.617 23.289 ( 0.000 3.583 0.915) 3.698 24.617 ( 0.000 4.813 3.055) 5.701 24.627 ( -0.000 4.346 2.137) 4.843 24.993 ( 0.000 2.504 3.879) 4.617 24.997 ( -0.000 2.233 3.413) 4.079 25.899 ( 0.000 -3.858 -0.607) 3.905 25.909 ( 0.000 -4.192 -1.381) 4.413 27.322 ( 0.000 -1.960 0.314) 1.985 27.361 ( 0.000 -3.828 -3.518) 5.199 28.013 ( 0.000 -1.111 0.474) 1.208 28.037 ( 0.000 -2.276 -1.942) 2.992 29.149 ( -0.000 4.104 8.201) 9.171 29.166 ( 0.000 3.745 7.834) 8.684 29.345 ( 0.000 4.962 -3.995) 6.370 29.373 ( -0.000 4.279 -5.545) 7.004 30.284 ( -0.000 1.902 20.748) 20.835 30.298 ( 0.000 0.908 21.344) 21.364 30.703 ( 0.000 2.630 -17.835) 18.028 30.737 ( 0.000 0.523 -19.276) 19.283 ======================= Grid point 300 (106/108) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 0.000 2.566) 2.566 2.087 ( 0.000 0.000 -2.193) 2.193 2.161 ( 0.000 0.000 -1.435) 1.435 2.199 ( 0.000 0.000 -5.236) 5.236 2.662 ( 0.000 0.000 -0.236) 0.236 2.662 ( 0.000 -0.000 -0.184) 0.184 4.366 ( 0.000 0.000 4.230) 4.230 4.392 ( 0.000 0.000 6.477) 6.477 4.457 ( 0.000 0.000 -5.256) 5.256 4.525 ( 0.000 0.000 -7.113) 7.113 5.969 ( 0.000 0.000 15.594) 15.594 6.240 ( 0.000 0.000 -10.685) 10.685 6.269 ( 0.000 0.000 8.496) 8.496 6.363 ( 0.000 -0.000 -0.701) 0.701 6.577 ( 0.000 0.000 8.882) 8.882 6.726 ( 0.000 0.000 -6.132) 6.132 7.565 ( 0.000 -0.000 21.728) 21.728 7.741 ( 0.000 0.000 4.741) 4.741 8.200 ( 0.000 0.000 15.327) 15.327 8.258 ( 0.000 0.000 0.816) 0.816 8.460 ( 0.000 0.000 -10.310) 10.310 8.498 ( 0.000 0.000 -23.951) 23.951 9.722 ( 0.000 0.000 6.301) 6.301 9.726 ( 0.000 -0.000 4.994) 4.994 9.938 ( 0.000 0.000 4.480) 4.480 10.015 ( 0.000 -0.000 -3.080) 3.080 10.287 ( 0.000 0.000 5.548) 5.548 10.371 ( 0.000 0.000 -2.804) 2.804 11.149 ( 0.000 0.000 1.852) 1.852 11.242 ( 0.000 0.000 -3.954) 3.954 12.497 ( 0.000 0.000 -7.428) 7.428 12.530 ( 0.000 -0.000 -8.326) 8.326 12.563 ( 0.000 0.000 11.080) 11.080 12.834 ( 0.000 0.000 -12.829) 12.829 13.266 ( 0.000 0.000 9.887) 9.887 13.335 ( 0.000 0.000 1.211) 1.211 13.365 ( 0.000 -0.000 4.990) 4.990 13.552 ( 0.000 0.000 -18.664) 18.664 13.581 ( 0.000 0.000 -11.934) 11.934 13.610 ( 0.000 -0.000 -10.727) 10.727 16.687 ( 0.000 0.000 13.644) 13.644 16.916 ( 0.000 0.000 -9.572) 9.572 17.505 ( 0.000 0.000 14.684) 14.684 17.744 ( 0.000 0.000 -8.529) 8.529 18.595 ( 0.000 -0.000 1.439) 1.439 18.709 ( 0.000 0.000 -8.928) 8.928 20.519 ( 0.000 0.000 15.257) 15.257 20.741 ( 0.000 0.000 15.483) 15.483 20.790 ( 0.000 0.000 -12.210) 12.210 21.033 ( 0.000 0.000 -14.513) 14.513 21.489 ( 0.000 -0.000 1.582) 1.582 21.528 ( 0.000 0.000 -2.814) 2.814 23.435 ( 0.000 0.000 11.140) 11.140 23.640 ( 0.000 0.000 -9.832) 9.832 24.456 ( 0.000 0.000 7.852) 7.852 24.542 ( 0.000 0.000 -1.144) 1.144 25.104 ( 0.000 0.000 7.005) 7.005 25.164 ( 0.000 0.000 0.676) 0.676 25.810 ( 0.000 0.000 -0.319) 0.319 25.825 ( 0.000 0.000 -1.791) 1.791 27.348 ( 0.000 0.000 -1.453) 1.453 27.360 ( 0.000 0.000 -2.598) 2.598 27.968 ( 0.000 0.000 2.207) 2.207 28.017 ( 0.000 0.000 -2.858) 2.858 29.157 ( 0.000 0.000 10.424) 10.424 29.280 ( 0.000 0.000 9.476) 9.476 29.329 ( 0.000 0.000 -6.880) 6.880 29.439 ( 0.000 0.000 -6.588) 6.588 30.167 ( 0.000 0.000 21.804) 21.804 30.446 ( 0.000 0.000 23.418) 23.418 30.562 ( 0.000 0.000 -18.488) 18.488 30.883 ( 0.000 0.000 -21.263) 21.263 ======================= Grid point 302 (107/108) ======================= q-point: ( 0.25 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -0.247 0.000 1.574) 1.593 2.066 ( -1.436 0.000 -1.766) 2.277 2.186 ( 1.785 0.000 -1.504) 2.334 2.214 ( 0.813 0.000 -4.294) 4.371 2.669 ( 0.495 0.000 -0.128) 0.512 2.669 ( 0.537 -0.000 -0.251) 0.593 4.247 ( -3.438 0.000 2.158) 4.060 4.303 ( -6.118 0.000 -3.627) 7.113 4.615 ( 11.990 0.000 6.118) 13.460 4.729 ( 9.403 0.000 -5.632) 10.961 5.952 ( -0.928 0.000 10.742) 10.782 6.078 ( -6.979 0.000 -1.270) 7.094 6.273 ( -5.470 0.000 7.762) 9.496 6.370 ( -4.752 0.000 0.678) 4.800 6.707 ( 8.151 0.000 1.384) 8.268 6.735 ( 12.076 0.000 0.683) 12.095 7.451 ( -11.003 0.000 11.863) 16.180 7.635 ( -14.408 0.000 -1.983) 14.544 8.091 ( -8.810 -0.000 -3.115) 9.345 8.099 ( -1.586 0.000 1.522) 2.198 8.504 ( 12.888 0.000 11.793) 17.469 8.781 ( 5.635 0.000 -14.147) 15.228 9.659 ( -2.470 0.000 4.382) 5.030 9.660 ( -2.809 -0.000 4.065) 4.941 10.050 ( 5.075 0.000 7.606) 9.144 10.163 ( 5.856 0.000 -4.426) 7.340 10.339 ( 1.652 -0.000 2.276) 2.813 10.368 ( 8.029 0.000 -1.046) 8.097 11.198 ( 4.489 0.000 3.146) 5.481 11.332 ( 6.157 0.000 -6.992) 9.317 12.159 ( -17.854 0.000 2.104) 17.978 12.271 ( -17.670 0.000 -7.350) 19.138 12.762 ( 7.359 0.000 1.363) 7.484 12.893 ( 1.558 0.000 -8.275) 8.420 13.268 ( 0.361 0.000 4.027) 4.043 13.325 ( -2.533 0.000 2.961) 3.897 13.373 ( 2.880 -0.000 1.550) 3.270 13.526 ( -2.987 0.000 -12.268) 12.627 13.614 ( 2.549 0.000 -13.864) 14.096 13.628 ( 1.455 -0.000 -11.772) 11.861 16.791 ( 8.730 0.000 13.100) 15.742 16.988 ( 4.815 0.000 -6.060) 7.740 17.463 ( -2.627 0.000 11.379) 11.679 17.668 ( -6.763 0.000 -7.844) 10.358 18.569 ( -1.563 -0.000 -0.156) 1.571 18.650 ( -4.521 0.000 -7.474) 8.735 20.546 ( 2.381 0.000 14.953) 15.141 20.693 ( -3.417 0.000 13.148) 13.585 20.832 ( 3.029 0.000 -10.226) 10.665 20.994 ( -3.301 0.000 -13.873) 14.260 21.590 ( 7.856 -0.000 1.595) 8.016 21.627 ( 7.274 0.000 -2.442) 7.673 23.361 ( -5.102 0.000 8.300) 9.742 23.506 ( -10.217 0.000 -6.424) 12.068 24.548 ( 6.987 0.000 6.038) 9.234 24.610 ( 5.119 0.000 -0.359) 5.131 25.058 ( -3.580 0.000 6.544) 7.459 25.108 ( -4.643 0.000 1.267) 4.813 25.834 ( 1.801 0.000 -0.565) 1.888 25.847 ( 1.496 0.000 -1.812) 2.350 27.327 ( -1.423 0.000 -1.234) 1.884 27.338 ( -1.668 0.000 -2.265) 2.813 27.984 ( 1.202 0.000 1.239) 1.726 28.017 ( -0.087 0.000 -2.250) 2.251 29.168 ( 1.002 0.000 9.683) 9.735 29.241 ( -2.318 0.000 6.842) 7.224 29.367 ( 2.203 0.000 -3.949) 4.522 29.430 ( -0.758 0.000 -5.948) 5.997 30.208 ( 3.621 0.000 21.800) 22.099 30.399 ( -3.696 0.000 21.478) 21.793 30.622 ( 4.752 0.000 -17.288) 17.930 30.843 ( -3.631 0.000 -20.715) 21.031 ======================= Grid point 304 (108/108) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -0.504 -0.456 -0.195) 0.707 2.040 ( 0.504 0.456 -0.195) 0.707 2.216 ( -0.162 -1.638 -2.651) 3.121 2.216 ( 0.162 1.639 -2.651) 3.121 2.676 ( -0.002 -0.697 -0.158) 0.715 2.676 ( 0.002 0.697 -0.158) 0.715 4.224 ( -0.780 -0.642 -0.752) 1.259 4.224 ( 0.780 0.642 -0.752) 1.259 4.809 ( -2.367 -1.433 0.595) 2.831 4.809 ( 2.367 1.433 0.595) 2.831 5.964 ( -1.509 -2.060 3.113) 4.027 5.964 ( 1.509 2.060 3.113) 4.027 6.228 ( -2.876 -0.084 8.648) 9.115 6.228 ( 2.876 0.084 8.648) 9.115 6.961 ( -0.371 -0.106 -1.132) 1.196 6.961 ( 0.371 0.106 -1.132) 1.196 7.264 ( -3.184 -4.860 -0.580) 5.839 7.264 ( 3.184 4.860 -0.580) 5.839 8.069 ( -0.392 -4.472 4.324) 6.233 8.069 ( 0.392 4.472 4.324) 6.233 8.738 ( -3.172 -8.317 -0.225) 8.904 8.738 ( 3.172 8.317 -0.225) 8.904 9.638 ( -0.015 -0.480 3.111) 3.148 9.638 ( 0.015 0.480 3.111) 3.148 10.129 ( -1.778 -3.034 3.696) 5.102 10.129 ( 1.778 3.034 3.696) 5.102 10.473 ( -2.611 -0.109 -1.433) 2.980 10.473 ( 2.611 0.109 -1.433) 2.980 11.344 ( -6.476 -0.639 -3.055) 7.189 11.344 ( 6.476 0.639 -3.055) 7.189 11.972 ( -3.491 -2.334 -1.630) 4.504 11.972 ( 3.491 2.334 -1.630) 4.505 12.872 ( -0.693 -6.833 -2.016) 7.158 12.872 ( 0.693 6.833 -2.016) 7.158 13.284 ( -0.353 -1.943 2.028) 2.831 13.284 ( 0.353 1.943 2.028) 2.831 13.447 ( -3.409 -0.521 -5.746) 6.701 13.447 ( 3.409 0.521 -5.746) 6.701 13.647 ( -0.007 -3.245 -12.902) 13.304 13.647 ( 0.007 3.245 -12.902) 13.304 16.984 ( -4.328 -2.981 8.047) 9.611 16.984 ( 4.328 2.981 8.047) 9.611 17.499 ( -5.777 -1.231 -2.582) 6.446 17.499 ( 5.777 1.231 -2.582) 6.446 18.569 ( -1.176 -1.275 -3.898) 4.267 18.569 ( 1.176 1.275 -3.898) 4.267 20.613 ( -3.552 -0.116 14.248) 14.685 20.613 ( 3.552 0.116 14.248) 14.685 20.910 ( -4.104 -0.000 -12.270) 12.938 20.910 ( 4.104 0.000 -12.270) 12.938 21.716 ( -1.271 -0.000 -0.102) 1.275 21.716 ( 1.271 0.000 -0.102) 1.275 23.327 ( -3.884 -0.001 0.883) 3.983 23.327 ( 3.884 0.001 0.883) 3.983 24.668 ( -1.881 -0.064 2.675) 3.271 24.668 ( 1.881 0.064 2.675) 3.271 25.018 ( -1.739 -0.007 3.837) 4.213 25.018 ( 1.739 0.007 3.837) 4.213 25.863 ( -0.212 -0.218 -1.312) 1.347 25.863 ( 0.212 0.218 -1.312) 1.347 27.312 ( -0.055 -0.933 -1.496) 1.764 27.312 ( 0.055 0.933 -1.496) 1.764 28.008 ( -0.493 -0.499 -0.663) 0.965 28.008 ( 0.493 0.499 -0.663) 0.965 29.197 ( -1.434 -0.289 8.028) 8.160 29.197 ( 1.434 0.289 8.028) 8.160 29.407 ( -0.949 -0.660 -4.619) 4.762 29.407 ( 0.949 0.660 -4.619) 4.762 30.304 ( -4.832 -0.028 21.687) 22.219 30.304 ( 4.832 0.028 21.687) 22.219 30.739 ( -5.431 -0.182 -19.145) 19.901 30.739 ( 5.431 0.182 -19.145) 19.901 =================== 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 3/31680 10.0 755.867 1286.348 1603.296 0.000 0.000 0.000 3/31680 20.0 167.447 196.630 229.594 0.000 0.000 0.000 3/31680 30.0 63.539 75.202 88.477 0.000 0.000 0.000 3/31680 40.0 34.548 41.440 48.590 0.000 0.000 0.000 3/31680 50.0 22.852 27.859 32.616 0.000 0.000 0.000 3/31680 60.0 16.937 21.019 24.565 0.000 0.000 0.000 3/31680 70.0 13.491 17.034 19.847 0.000 0.000 0.000 3/31680 80.0 11.283 14.462 16.785 0.000 0.000 0.000 3/31680 90.0 9.769 12.673 14.651 0.000 0.000 0.000 3/31680 100.0 8.673 11.354 13.086 0.000 0.000 0.000 3/31680 110.0 7.845 10.338 11.892 0.000 0.000 0.000 3/31680 120.0 7.195 9.527 10.949 0.000 0.000 0.000 3/31680 130.0 6.669 8.861 10.184 0.000 0.000 0.000 3/31680 140.0 6.230 8.301 9.547 0.000 0.000 0.000 3/31680 150.0 5.857 7.820 9.005 0.000 0.000 0.000 3/31680 160.0 5.533 7.400 8.535 0.000 0.000 0.000 3/31680 170.0 5.247 7.028 8.122 0.000 0.000 0.000 3/31680 180.0 4.992 6.696 7.754 0.000 0.000 0.000 3/31680 190.0 4.762 6.397 7.422 0.000 0.000 0.000 3/31680 200.0 4.554 6.124 7.120 0.000 0.000 0.000 3/31680 210.0 4.363 5.875 6.844 0.000 0.000 0.000 3/31680 220.0 4.188 5.646 6.590 0.000 0.000 0.000 3/31680 230.0 4.027 5.435 6.355 0.000 0.000 0.000 3/31680 240.0 3.878 5.239 6.137 0.000 0.000 0.000 3/31680 250.0 3.739 5.057 5.934 0.000 0.000 0.000 3/31680 260.0 3.610 4.887 5.745 0.000 0.000 0.000 3/31680 270.0 3.489 4.728 5.567 0.000 0.000 0.000 3/31680 280.0 3.376 4.579 5.400 0.000 0.000 0.000 3/31680 290.0 3.270 4.439 5.244 0.000 0.000 0.000 3/31680 300.0 3.170 4.307 5.096 0.000 0.000 0.000 3/31680 310.0 3.077 4.183 4.956 0.000 0.000 0.000 3/31680 320.0 2.988 4.066 4.824 0.000 0.000 0.000 3/31680 330.0 2.905 3.955 4.698 0.000 0.000 0.000 3/31680 340.0 2.826 3.850 4.579 0.000 0.000 0.000 3/31680 350.0 2.751 3.751 4.466 0.000 0.000 0.000 3/31680 360.0 2.680 3.656 4.359 0.000 0.000 0.000 3/31680 370.0 2.612 3.566 4.256 0.000 0.000 0.000 3/31680 380.0 2.548 3.480 4.159 0.000 0.000 0.000 3/31680 390.0 2.487 3.398 4.065 0.000 0.000 0.000 3/31680 400.0 2.428 3.320 3.976 0.000 0.000 0.000 3/31680 410.0 2.373 3.246 3.890 0.000 0.000 0.000 3/31680 420.0 2.320 3.174 3.808 0.000 0.000 0.000 3/31680 430.0 2.269 3.106 3.730 0.000 0.000 0.000 3/31680 440.0 2.220 3.040 3.654 0.000 0.000 0.000 3/31680 450.0 2.173 2.978 3.582 0.000 0.000 0.000 3/31680 460.0 2.129 2.917 3.512 0.000 0.000 0.000 3/31680 470.0 2.086 2.859 3.445 0.000 0.000 0.000 3/31680 480.0 2.044 2.804 3.381 0.000 0.000 0.000 3/31680 490.0 2.005 2.750 3.318 0.000 0.000 0.000 3/31680 500.0 1.966 2.698 3.258 0.000 0.000 0.000 3/31680 510.0 1.930 2.649 3.201 0.000 0.000 0.000 3/31680 520.0 1.894 2.601 3.145 0.000 0.000 0.000 3/31680 530.0 1.860 2.555 3.091 0.000 0.000 0.000 3/31680 540.0 1.827 2.510 3.039 0.000 0.000 0.000 3/31680 550.0 1.795 2.467 2.988 0.000 0.000 0.000 3/31680 560.0 1.764 2.425 2.939 0.000 0.000 0.000 3/31680 570.0 1.735 2.385 2.892 0.000 0.000 0.000 3/31680 580.0 1.706 2.346 2.846 0.000 0.000 0.000 3/31680 590.0 1.678 2.308 2.802 0.000 0.000 0.000 3/31680 600.0 1.651 2.271 2.758 0.000 0.000 0.000 3/31680 610.0 1.625 2.236 2.717 0.000 0.000 0.000 3/31680 620.0 1.600 2.201 2.676 0.000 0.000 0.000 3/31680 630.0 1.575 2.168 2.637 0.000 0.000 0.000 3/31680 640.0 1.551 2.135 2.598 0.000 0.000 0.000 3/31680 650.0 1.528 2.104 2.561 0.000 0.000 0.000 3/31680 660.0 1.506 2.073 2.525 0.000 0.000 0.000 3/31680 670.0 1.484 2.044 2.490 0.000 0.000 0.000 3/31680 680.0 1.463 2.015 2.456 0.000 0.000 0.000 3/31680 690.0 1.443 1.987 2.422 0.000 0.000 0.000 3/31680 700.0 1.423 1.960 2.390 0.000 0.000 0.000 3/31680 710.0 1.403 1.933 2.358 0.000 0.000 0.000 3/31680 720.0 1.384 1.907 2.327 0.000 0.000 0.000 3/31680 730.0 1.366 1.882 2.297 0.000 0.000 0.000 3/31680 740.0 1.348 1.857 2.268 0.000 0.000 0.000 3/31680 750.0 1.330 1.833 2.240 0.000 0.000 0.000 3/31680 760.0 1.313 1.810 2.212 0.000 0.000 0.000 3/31680 770.0 1.297 1.787 2.185 0.000 0.000 0.000 3/31680 780.0 1.280 1.765 2.158 0.000 0.000 0.000 3/31680 790.0 1.265 1.744 2.132 0.000 0.000 0.000 3/31680 800.0 1.249 1.723 2.107 0.000 0.000 0.000 3/31680 810.0 1.234 1.702 2.082 0.000 0.000 0.000 3/31680 820.0 1.219 1.682 2.058 0.000 0.000 0.000 3/31680 830.0 1.205 1.662 2.034 0.000 0.000 0.000 3/31680 840.0 1.191 1.643 2.011 0.000 0.000 0.000 3/31680 850.0 1.177 1.624 1.989 0.000 0.000 0.000 3/31680 860.0 1.164 1.606 1.967 0.000 0.000 0.000 3/31680 870.0 1.151 1.588 1.945 0.000 0.000 0.000 3/31680 880.0 1.138 1.570 1.924 0.000 0.000 0.000 3/31680 890.0 1.126 1.553 1.903 0.000 0.000 0.000 3/31680 900.0 1.113 1.536 1.883 0.000 0.000 0.000 3/31680 910.0 1.101 1.520 1.863 0.000 0.000 0.000 3/31680 920.0 1.090 1.504 1.844 0.000 0.000 0.000 3/31680 930.0 1.078 1.488 1.825 0.000 0.000 0.000 3/31680 940.0 1.067 1.472 1.806 0.000 0.000 0.000 3/31680 950.0 1.056 1.457 1.788 0.000 0.000 0.000 3/31680 960.0 1.045 1.442 1.770 0.000 0.000 0.000 3/31680 970.0 1.034 1.428 1.752 0.000 0.000 0.000 3/31680 980.0 1.024 1.414 1.735 0.000 0.000 0.000 3/31680 990.0 1.014 1.400 1.718 0.000 0.000 0.000 3/31680 1000.0 1.004 1.386 1.702 0.000 0.000 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m41011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:15:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|