----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:09:03]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3 (146) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.736790436535380 3.312137502818166 2.167843039999997 b -5.736790436535369 3.312137502818166 2.167843039999997 c 0.000000000000006 -6.624275005636341 2.167843039999997 Atomic positions (fractional): *1 Al 0.99756988850789 0.99756988850790 0.99756988850789 26.982 *2 Al 0.19676149372563 0.70738425681481 0.91560864420033 26.982 3 Al 0.91560864420033 0.19676149372563 0.70738425681481 26.982 4 Al 0.70738425681481 0.91560864420033 0.19676149372563 26.982 *5 O 0.92290679492319 0.47475079098626 0.89526666985557 15.999 6 O 0.89526666985557 0.92290679492319 0.47475079098626 15.999 7 O 0.47475079098626 0.89526666985557 0.92290679492319 15.999 *8 O 0.49985681974887 0.31209390740949 0.60555701091148 15.999 9 O 0.60555701091147 0.49985681974887 0.31209390740949 15.999 10 O 0.31209390740949 0.60555701091148 0.49985681974886 15.999 *11 O 0.75947420466679 0.72095215804001 0.97207773616045 15.999 12 O 0.97207773616045 0.75947420466679 0.72095215804001 15.999 13 O 0.72095215804001 0.97207773616045 0.75947420466679 15.999 *14 O 0.25619018256052 0.98374358547728 0.17473681674565 15.999 15 O 0.17473681674565 0.25619018256053 0.98374358547728 15.999 16 O 0.98374358547728 0.17473681674565 0.25619018256053 15.999 *17 O 0.12371857934171 0.42227972284378 0.66821177241340 15.999 18 O 0.66821177241340 0.12371857934171 0.42227972284378 15.999 19 O 0.42227972284378 0.66821177241341 0.12371857934171 15.999 *20 B 0.47585944602958 0.14441713636141 0.40003690364825 10.811 21 B 0.40003690364825 0.47585944602959 0.14441713636141 10.811 22 B 0.14441713636141 0.40003690364825 0.47585944602959 10.811 *23 B 0.72653545034330 0.50039613884623 0.82531386943815 10.811 24 B 0.82531386943815 0.72653545034330 0.50039613884622 10.811 25 B 0.50039613884622 0.82531386943815 0.72653545034330 10.811 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.473580873070750 0.000000000000000 0.000000000000000 b -5.736790436535375 9.936412508454508 0.000000000000000 c 0.000000000000000 0.000000000000000 6.503529119999998 Atomic positions (fractional): *1 Al 0.00000000000000 0.00000000000000 0.99756988850789 26.982 > 1 *2 Al 0.59017669547870 0.69097615404659 0.60658479824692 26.982 > 2 3 Al 0.64235717928674 0.56586720809878 0.27325146491359 26.982 > 3 4 Al 0.76746612523456 0.74315663785463 0.93991813158026 26.982 > 4 5 Al 0.66666666666667 0.33333333333333 0.33090322184123 26.982 > 1 6 Al 0.25684336214537 0.02430948737993 0.93991813158026 26.982 > 2 7 Al 0.30902384595340 0.89920054143211 0.60658479824692 26.982 > 3 8 Al 0.43413279190122 0.07648997118796 0.27325146491359 26.982 > 4 9 Al 0.33333333333333 0.66666666666667 0.66423655517456 26.982 > 1 10 Al 0.92351002881204 0.35764282071326 0.27325146491359 26.982 > 2 11 Al 0.97569051262007 0.23253387476544 0.93991813158026 26.982 > 3 12 Al 0.10079945856789 0.40982330452130 0.60658479824692 26.982 > 4 *13 O 0.49193204300152 0.53570808206610 0.43097475192167 15.999 > 5 14 O 0.79762525126723 0.62289062760208 0.09764141858834 15.999 > 6 15 O 0.71044270573125 0.84140129033182 0.76430808525501 15.999 > 7 *16 O 0.02735424039226 0.86694556844513 0.47250257935661 15.999 > 8 17 O 0.79972109822153 0.49374200528045 0.80583591268994 15.999 > 9 18 O 0.17292466138621 0.63931242627441 0.13916924602328 15.999 > 10 *19 O 0.94197283837770 0.84542363012863 0.81750136628908 15.999 > 11 20 O 0.82124303653804 0.42988254158241 0.15083469962241 15.999 > 12 21 O 0.23678412508426 0.72469382828896 0.48416803295575 15.999 > 13 *22 O 0.45129998763271 0.63015337818217 0.80489019492782 15.999 > 14 23 O 0.70317995515116 0.48781327611720 0.47155686159448 15.999 > 15 24 O 0.84552005721613 0.88203334570062 0.13822352826115 15.999 > 16 *25 O 0.71898188780874 0.73652491911956 0.40473669153296 15.999 > 17 26 O 0.59680841421377 0.64912363535585 0.07140335819963 15.999 > 18 27 O 0.68420969797748 0.61435144552459 0.73807002486630 15.999 > 19 28 O 0.15859870966818 0.86904141539944 0.76430808525501 15.999 > 5 29 O 0.46429191793390 0.95622396093542 0.43097475192167 15.999 > 6 30 O 0.37710937239792 0.17473462366515 0.09764141858834 15.999 > 7 31 O 0.69402090705892 0.20027890177847 0.80583591268994 15.999 > 8 32 O 0.46638776488820 0.82707533861379 0.13916924602328 15.999 > 9 33 O 0.83959132805288 0.97264575960775 0.47250257935661 15.999 > 10 34 O 0.60863950504437 0.17875696346196 0.15083469962241 15.999 > 11 35 O 0.48790970320470 0.76321587491574 0.48416803295575 15.999 > 12 36 O 0.90345079175092 0.05802716162230 0.81750136628908 15.999 > 13 37 O 0.11796665429938 0.96348671151550 0.13822352826115 15.999 > 14 38 O 0.36984662181783 0.82114660945054 0.80489019492782 15.999 > 15 39 O 0.51218672388280 0.21536667903396 0.47155686159448 15.999 > 16 40 O 0.38564855447541 0.06985825245289 0.73807002486630 15.999 > 17 41 O 0.26347508088044 0.98245696868919 0.40473669153296 15.999 > 18 42 O 0.35087636464415 0.94768477885792 0.07140335819963 15.999 > 19 43 O 0.82526537633485 0.20237474873277 0.09764141858834 15.999 > 5 44 O 0.13095858460057 0.28955729426875 0.76430808525501 15.999 > 6 45 O 0.04377603906458 0.50806795699848 0.43097475192167 15.999 > 7 46 O 0.36068757372559 0.53361223511180 0.13916924602328 15.999 > 8 47 O 0.13305443155486 0.16040867194712 0.47250257935661 15.999 > 9 48 O 0.50625799471955 0.30597909294108 0.80583591268994 15.999 > 10 49 O 0.27530617171104 0.51209029679530 0.48416803295575 15.999 > 11 50 O 0.15457636987137 0.09654920824908 0.81750136628908 15.999 > 12 51 O 0.57011745841759 0.39136049495563 0.15083469962241 15.999 > 13 52 O 0.78463332096604 0.29682004484884 0.47155686159448 15.999 > 14 53 O 0.03651328848449 0.15447994278387 0.13822352826115 15.999 > 15 54 O 0.17885339054946 0.54870001236729 0.80489019492782 15.999 > 16 55 O 0.05231522114208 0.40319158578622 0.07140335819963 15.999 > 17 56 O 0.93014174754711 0.31579030202252 0.73807002486630 15.999 > 18 57 O 0.01754303131081 0.28101811219126 0.40473669153296 15.999 > 19 *58 B 0.46908828401650 0.60673425836483 0.00677116201308 10.811 > 20 59 B 0.72659907496850 0.52902069231834 0.67343782867975 10.811 > 21 60 B 0.80431264101500 0.86424504931683 0.34010449534642 10.811 > 22 *61 B 0.04245363080074 0.85876795010441 0.68408181954256 10.811 > 23 62 B 0.80789871656226 0.51701901402967 0.01741515287589 10.811 > 24 63 B 0.14964765263700 0.62421303586592 0.35074848620922 10.811 > 25 64 B 0.13575495068317 0.94006759169817 0.34010449534642 10.811 > 20 65 B 0.39326574163516 0.86235402565167 0.00677116201308 10.811 > 21 66 B 0.47097930768167 0.19757838265016 0.67343782867975 10.811 > 22 67 B 0.70912029746741 0.19210128343774 0.01741515287589 10.811 > 23 68 B 0.47456538322892 0.85035234736300 0.35074848620922 10.811 > 24 69 B 0.81631431930366 0.95754636919926 0.68408181954256 10.811 > 25 70 B 0.80242161734984 0.27340092503150 0.67343782867975 10.811 > 20 71 B 0.05993240830183 0.19568735898500 0.34010449534642 10.811 > 21 72 B 0.13764597434833 0.53091171598350 0.00677116201308 10.811 > 22 73 B 0.37578696413408 0.52543461677107 0.35074848620922 10.811 > 23 74 B 0.14123204989559 0.18368568069634 0.68408181954256 10.811 > 24 75 B 0.48298098597033 0.29087970253259 0.01741515287589 10.811 > 25 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.473580873070750 0.000000000000000 0.000000000000000 b -5.736790436535375 9.936412508454508 0.000000000000000 c 0.000000000000000 0.000000000000000 13.007058239999996 Atomic positions (fractional): *1 Al 0.00000000000000 0.00000000000000 0.49878494425395 26.982 > 1 2 Al 0.00000000000000 0.00000000000000 0.99878494425395 26.982 > 1 *3 Al 0.59017669547870 0.69097615404659 0.30329239912346 26.982 > 2 4 Al 0.59017669547870 0.69097615404659 0.80329239912346 26.982 > 2 5 Al 0.64235717928674 0.56586720809878 0.13662573245679 26.982 > 3 6 Al 0.64235717928674 0.56586720809878 0.63662573245679 26.982 > 3 7 Al 0.76746612523456 0.74315663785463 0.46995906579013 26.982 > 4 8 Al 0.76746612523456 0.74315663785463 0.96995906579013 26.982 > 4 9 Al 0.66666666666667 0.33333333333333 0.16545161092061 26.982 > 1 10 Al 0.66666666666667 0.33333333333333 0.66545161092061 26.982 > 1 11 Al 0.25684336214537 0.02430948737993 0.46995906579013 26.982 > 2 12 Al 0.25684336214537 0.02430948737993 0.96995906579013 26.982 > 2 13 Al 0.30902384595340 0.89920054143211 0.30329239912346 26.982 > 3 14 Al 0.30902384595340 0.89920054143211 0.80329239912346 26.982 > 3 15 Al 0.43413279190122 0.07648997118796 0.13662573245679 26.982 > 4 16 Al 0.43413279190122 0.07648997118796 0.63662573245679 26.982 > 4 17 Al 0.33333333333333 0.66666666666667 0.33211827758728 26.982 > 1 18 Al 0.33333333333333 0.66666666666667 0.83211827758728 26.982 > 1 19 Al 0.92351002881204 0.35764282071326 0.13662573245679 26.982 > 2 20 Al 0.92351002881204 0.35764282071326 0.63662573245679 26.982 > 2 21 Al 0.97569051262007 0.23253387476544 0.46995906579013 26.982 > 3 22 Al 0.97569051262007 0.23253387476544 0.96995906579013 26.982 > 3 23 Al 0.10079945856789 0.40982330452130 0.30329239912346 26.982 > 4 24 Al 0.10079945856789 0.40982330452130 0.80329239912346 26.982 > 4 *25 O 0.49193204300152 0.53570808206610 0.21548737596084 15.999 > 5 26 O 0.49193204300152 0.53570808206610 0.71548737596084 15.999 > 5 27 O 0.79762525126723 0.62289062760208 0.04882070929417 15.999 > 6 28 O 0.79762525126723 0.62289062760208 0.54882070929417 15.999 > 6 29 O 0.71044270573125 0.84140129033182 0.38215404262750 15.999 > 7 30 O 0.71044270573125 0.84140129033182 0.88215404262750 15.999 > 7 *31 O 0.02735424039226 0.86694556844513 0.23625128967830 15.999 > 8 32 O 0.02735424039226 0.86694556844513 0.73625128967830 15.999 > 8 33 O 0.79972109822153 0.49374200528045 0.40291795634497 15.999 > 9 34 O 0.79972109822153 0.49374200528045 0.90291795634497 15.999 > 9 35 O 0.17292466138621 0.63931242627441 0.06958462301164 15.999 > 10 36 O 0.17292466138621 0.63931242627441 0.56958462301164 15.999 > 10 *37 O 0.94197283837770 0.84542363012863 0.40875068314454 15.999 > 11 38 O 0.94197283837770 0.84542363012863 0.90875068314454 15.999 > 11 39 O 0.82124303653804 0.42988254158241 0.07541734981121 15.999 > 12 40 O 0.82124303653804 0.42988254158241 0.57541734981121 15.999 > 12 41 O 0.23678412508426 0.72469382828896 0.24208401647787 15.999 > 13 42 O 0.23678412508426 0.72469382828896 0.74208401647787 15.999 > 13 *43 O 0.45129998763271 0.63015337818217 0.40244509746391 15.999 > 14 44 O 0.45129998763271 0.63015337818217 0.90244509746391 15.999 > 14 45 O 0.70317995515116 0.48781327611720 0.23577843079724 15.999 > 15 46 O 0.70317995515116 0.48781327611720 0.73577843079724 15.999 > 15 47 O 0.84552005721613 0.88203334570062 0.06911176413058 15.999 > 16 48 O 0.84552005721613 0.88203334570062 0.56911176413057 15.999 > 16 *49 O 0.71898188780874 0.73652491911956 0.20236834576648 15.999 > 17 50 O 0.71898188780874 0.73652491911956 0.70236834576648 15.999 > 17 51 O 0.59680841421377 0.64912363535585 0.03570167909981 15.999 > 18 52 O 0.59680841421377 0.64912363535585 0.53570167909981 15.999 > 18 53 O 0.68420969797748 0.61435144552459 0.36903501243315 15.999 > 19 54 O 0.68420969797748 0.61435144552459 0.86903501243315 15.999 > 19 55 O 0.15859870966818 0.86904141539944 0.38215404262750 15.999 > 5 56 O 0.15859870966818 0.86904141539944 0.88215404262750 15.999 > 5 57 O 0.46429191793390 0.95622396093542 0.21548737596084 15.999 > 6 58 O 0.46429191793390 0.95622396093542 0.71548737596084 15.999 > 6 59 O 0.37710937239792 0.17473462366515 0.04882070929417 15.999 > 7 60 O 0.37710937239792 0.17473462366515 0.54882070929417 15.999 > 7 61 O 0.69402090705892 0.20027890177847 0.40291795634497 15.999 > 8 62 O 0.69402090705892 0.20027890177847 0.90291795634497 15.999 > 8 63 O 0.46638776488820 0.82707533861379 0.06958462301164 15.999 > 9 64 O 0.46638776488820 0.82707533861379 0.56958462301164 15.999 > 9 65 O 0.83959132805288 0.97264575960775 0.23625128967830 15.999 > 10 66 O 0.83959132805288 0.97264575960775 0.73625128967830 15.999 > 10 67 O 0.60863950504437 0.17875696346196 0.07541734981121 15.999 > 11 68 O 0.60863950504437 0.17875696346196 0.57541734981121 15.999 > 11 69 O 0.48790970320470 0.76321587491574 0.24208401647787 15.999 > 12 70 O 0.48790970320470 0.76321587491574 0.74208401647787 15.999 > 12 71 O 0.90345079175092 0.05802716162230 0.40875068314454 15.999 > 13 72 O 0.90345079175092 0.05802716162230 0.90875068314454 15.999 > 13 73 O 0.11796665429938 0.96348671151550 0.06911176413058 15.999 > 14 74 O 0.11796665429938 0.96348671151550 0.56911176413057 15.999 > 14 75 O 0.36984662181783 0.82114660945054 0.40244509746391 15.999 > 15 76 O 0.36984662181783 0.82114660945054 0.90244509746391 15.999 > 15 77 O 0.51218672388280 0.21536667903396 0.23577843079724 15.999 > 16 78 O 0.51218672388280 0.21536667903396 0.73577843079724 15.999 > 16 79 O 0.38564855447541 0.06985825245289 0.36903501243315 15.999 > 17 80 O 0.38564855447541 0.06985825245289 0.86903501243315 15.999 > 17 81 O 0.26347508088044 0.98245696868919 0.20236834576648 15.999 > 18 82 O 0.26347508088044 0.98245696868919 0.70236834576648 15.999 > 18 83 O 0.35087636464415 0.94768477885792 0.03570167909981 15.999 > 19 84 O 0.35087636464415 0.94768477885792 0.53570167909981 15.999 > 19 85 O 0.82526537633485 0.20237474873277 0.04882070929417 15.999 > 5 86 O 0.82526537633485 0.20237474873277 0.54882070929417 15.999 > 5 87 O 0.13095858460057 0.28955729426875 0.38215404262750 15.999 > 6 88 O 0.13095858460057 0.28955729426875 0.88215404262750 15.999 > 6 89 O 0.04377603906458 0.50806795699848 0.21548737596084 15.999 > 7 90 O 0.04377603906458 0.50806795699848 0.71548737596084 15.999 > 7 91 O 0.36068757372559 0.53361223511180 0.06958462301164 15.999 > 8 92 O 0.36068757372559 0.53361223511180 0.56958462301164 15.999 > 8 93 O 0.13305443155486 0.16040867194712 0.23625128967830 15.999 > 9 94 O 0.13305443155486 0.16040867194712 0.73625128967830 15.999 > 9 95 O 0.50625799471955 0.30597909294108 0.40291795634497 15.999 > 10 96 O 0.50625799471955 0.30597909294108 0.90291795634497 15.999 > 10 97 O 0.27530617171104 0.51209029679530 0.24208401647787 15.999 > 11 98 O 0.27530617171104 0.51209029679530 0.74208401647787 15.999 > 11 99 O 0.15457636987137 0.09654920824908 0.40875068314454 15.999 > 12 100 O 0.15457636987137 0.09654920824908 0.90875068314454 15.999 > 12 101 O 0.57011745841759 0.39136049495563 0.07541734981121 15.999 > 13 102 O 0.57011745841759 0.39136049495563 0.57541734981121 15.999 > 13 103 O 0.78463332096604 0.29682004484884 0.23577843079724 15.999 > 14 104 O 0.78463332096604 0.29682004484884 0.73577843079724 15.999 > 14 105 O 0.03651328848449 0.15447994278387 0.06911176413058 15.999 > 15 106 O 0.03651328848449 0.15447994278387 0.56911176413057 15.999 > 15 107 O 0.17885339054946 0.54870001236729 0.40244509746391 15.999 > 16 108 O 0.17885339054946 0.54870001236729 0.90244509746391 15.999 > 16 109 O 0.05231522114208 0.40319158578622 0.03570167909981 15.999 > 17 110 O 0.05231522114208 0.40319158578622 0.53570167909981 15.999 > 17 111 O 0.93014174754711 0.31579030202252 0.36903501243315 15.999 > 18 112 O 0.93014174754711 0.31579030202252 0.86903501243315 15.999 > 18 113 O 0.01754303131081 0.28101811219126 0.20236834576648 15.999 > 19 114 O 0.01754303131081 0.28101811219126 0.70236834576648 15.999 > 19 *115 B 0.46908828401650 0.60673425836483 0.00338558100654 10.811 > 20 116 B 0.46908828401650 0.60673425836483 0.50338558100654 10.811 > 20 117 B 0.72659907496850 0.52902069231834 0.33671891433987 10.811 > 21 118 B 0.72659907496850 0.52902069231834 0.83671891433987 10.811 > 21 119 B 0.80431264101500 0.86424504931683 0.17005224767321 10.811 > 22 120 B 0.80431264101500 0.86424504931683 0.67005224767321 10.811 > 22 *121 B 0.04245363080074 0.85876795010441 0.34204090977128 10.811 > 23 122 B 0.04245363080074 0.85876795010441 0.84204090977128 10.811 > 23 123 B 0.80789871656226 0.51701901402967 0.00870757643795 10.811 > 24 124 B 0.80789871656226 0.51701901402967 0.50870757643795 10.811 > 24 125 B 0.14964765263700 0.62421303586592 0.17537424310461 10.811 > 25 126 B 0.14964765263700 0.62421303586592 0.67537424310461 10.811 > 25 127 B 0.13575495068317 0.94006759169817 0.17005224767321 10.811 > 20 128 B 0.13575495068317 0.94006759169817 0.67005224767321 10.811 > 20 129 B 0.39326574163516 0.86235402565167 0.00338558100654 10.811 > 21 130 B 0.39326574163516 0.86235402565167 0.50338558100654 10.811 > 21 131 B 0.47097930768167 0.19757838265016 0.33671891433987 10.811 > 22 132 B 0.47097930768167 0.19757838265016 0.83671891433987 10.811 > 22 133 B 0.70912029746741 0.19210128343774 0.00870757643795 10.811 > 23 134 B 0.70912029746741 0.19210128343774 0.50870757643795 10.811 > 23 135 B 0.47456538322892 0.85035234736300 0.17537424310461 10.811 > 24 136 B 0.47456538322892 0.85035234736300 0.67537424310461 10.811 > 24 137 B 0.81631431930366 0.95754636919926 0.34204090977128 10.811 > 25 138 B 0.81631431930366 0.95754636919926 0.84204090977128 10.811 > 25 139 B 0.80242161734984 0.27340092503150 0.33671891433987 10.811 > 20 140 B 0.80242161734984 0.27340092503150 0.83671891433987 10.811 > 20 141 B 0.05993240830183 0.19568735898500 0.17005224767321 10.811 > 21 142 B 0.05993240830183 0.19568735898500 0.67005224767321 10.811 > 21 143 B 0.13764597434833 0.53091171598350 0.00338558100654 10.811 > 22 144 B 0.13764597434833 0.53091171598350 0.50338558100654 10.811 > 22 145 B 0.37578696413408 0.52543461677107 0.17537424310461 10.811 > 23 146 B 0.37578696413408 0.52543461677107 0.67537424310461 10.811 > 23 147 B 0.14123204989559 0.18368568069634 0.34204090977128 10.811 > 24 148 B 0.14123204989559 0.18368568069634 0.84204090977128 10.811 > 24 149 B 0.48298098597033 0.29087970253259 0.00870757643795 10.811 > 25 150 B 0.48298098597033 0.29087970253259 0.50870757643795 10.811 > 25 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6488981 0.0000002 0.0000000 -0.0000002 2.6488981 0.0000000 0.0000000 0.0000000 2.8770122 -------------------------- Born effective charges -------------------------- 1 Al 2.8189284 -0.1652293 -0.0000000 0.1652293 2.8189284 0.0000000 -0.0000000 -0.0000000 3.2997655 2 Al 3.3257976 0.1993369 0.3926085 0.0280389 2.6426418 -0.0446585 -0.0095834 -0.0024490 3.0932258 3 Al 2.9118873 -0.2670100 -0.1576289 -0.4383081 3.0565520 0.3623382 0.0069125 -0.0070749 3.0932258 4 Al 2.7149741 0.3246202 -0.2349797 0.1533222 3.2534652 -0.3176797 0.0026708 0.0095239 3.0932258 5 O -2.3428476 -0.1672894 -0.1942988 -0.0277386 -1.1716872 -0.1884171 -0.1694274 -0.2488313 -1.5469767 6 O -1.5489269 0.4861089 0.2603234 0.6256598 -1.9656079 -0.0740591 0.3002079 -0.0223128 -1.5469767 7 O -1.3800277 -0.5281458 -0.0660246 -0.3885949 -2.1345071 0.2624762 -0.1307805 0.2711441 -1.5469767 8 O -1.3652762 -0.2754853 0.2891128 -0.3170420 -0.8445543 0.4066945 0.2928842 0.4431959 -2.4153283 9 O -1.2313066 0.3943894 -0.4967642 0.3528327 -0.9785239 0.0470318 -0.5302610 0.0320471 -2.4153283 10 O -0.7181629 -0.0565691 0.2076514 -0.0981257 -1.4916676 -0.4537263 0.2373769 -0.4752431 -2.4153283 11 O -2.1443999 -0.1526781 0.7138186 -0.4387558 -1.4701981 0.1797344 0.6388226 -0.0205724 -1.7790468 12 O -1.8948469 0.5828353 -0.5125638 0.2967576 -1.7197511 0.5283179 -0.3015951 0.5635228 -1.7790468 13 O -1.3826502 -0.0010407 -0.2012548 -0.2871183 -2.2319478 -0.7080522 -0.3372275 -0.5429504 -1.7790468 14 O -1.7067773 0.0140112 -0.3546901 -0.0284210 -0.9646923 0.2913066 -0.2209605 0.3947467 -2.5609786 15 O -1.1564532 0.3461508 -0.0749338 0.3037186 -1.5150165 -0.4528239 -0.2313804 -0.3887307 -2.5609786 16 O -1.1439739 -0.2965137 0.4296239 -0.3389459 -1.5274957 0.1615174 0.4523409 -0.0060160 -2.5609786 17 O -1.2156179 -0.4973974 0.2217724 -0.2322826 -2.3144122 0.1715469 0.2782517 0.0384336 -1.5540291 18 O -2.3556743 -0.4259293 -0.2594502 -0.1608145 -1.1743558 0.1062871 -0.1724103 0.2217563 -1.5540291 19 O -1.7237529 0.5256545 0.0376777 0.7907693 -1.8062771 -0.2778340 -0.1058414 -0.2601899 -1.5540291 20 B 2.5076181 0.4530867 0.2160885 0.3326614 1.2993005 -0.4544210 -0.0865782 -0.6034190 2.8986514 21 B 1.9416188 -0.6594412 0.2854959 -0.7798666 1.8652998 0.4143486 0.5658652 0.2267306 2.8986514 22 B 1.2611410 0.3869925 -0.5015844 0.2665672 2.5457776 0.0400724 -0.4792871 0.3766884 2.8986514 23 B 2.7902120 0.1352045 -0.3808033 0.2821759 1.0956073 -0.1855161 -0.1451549 -0.0585344 2.7645605 24 B 1.6999895 -0.9116162 0.3510633 -0.7646447 2.1858298 -0.2370273 0.1232698 -0.0964406 2.7645605 25 B 1.3385274 0.5559545 0.0297400 0.7029259 2.5472918 0.4225434 0.0218851 0.1549751 2.7645605 ---------------------------------------------------------------------------- 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: 450/450 Permutation basis: 21936/21936 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5650 Number of blocks in projector: 2526 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 2516 Use submatrix version of eigh solver. (1) Block: 500 / 2516 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 2516 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2516 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2000 / 2516 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 2516 / 2516 (2) Block: 250 / 516 (2) 230 eigenvectors found. (2) Block: 516 / 516 (2) 239 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 486 eigenvectors found. (1) Complementary block size: 136 (1) Compute compressed projector. (1) Use standard solver. (1) 103 eigenvectors found. --- Eigsh_solver_block: 2 / 5 --- Block_size: 2496 Use submatrix version of eigh solver. (1) Block: 500 / 2496 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 2496 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2496 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2496 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2496 / 2496 (1) 464 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 5 --- Block_size: 636 Use submatrix version of eigh solver. (1) Block: 500 / 636 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 636 / 636 (1) 128 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (5650, 5576), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (636, 627), data: False |-- (636, 8), data: (636, 17) @ (17, 8) |-- (136, 128), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (2496, 2464), data: False |-- (2496, 108), data: (2496, 140) @ (140, 108) |-- (496, 464), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (2516, 2483), data: False |-- (2516, 103), data: (2516, 136) @ (136, 103) |-- (516, 486), data: False |-- (516, 17), data: (516, 47) @ (47, 17) |-- (266, 239), data: True |-- (250, 230), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 24), data: (500, 55) @ (55, 24) |-- (250, 224), data: True |-- (250, 221), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 150 / 150 Time (Solver_compr_matrix_reshape): 0.024 Solver_block: 100 / 1040 - Time: 3.194 Solver_block: 200 / 1040 - Time: 3.241 Solver_block: 300 / 1040 - Time: 3.143 Solver_block: 400 / 1040 - Time: 2.685 Solver_block: 500 / 1040 - Time: 2.114 Solver_block: 600 / 1040 - Time: 2.803 Solver_block: 700 / 1040 - Time: 2.790 Solver_block: 800 / 1040 - Time: 2.071 Solver_block: 900 / 1040 - Time: 1.880 Solver_block: 1000 / 1040 - Time: 1.969 Solver_block: 1040 / 1040 - Time: 0.843 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 27.429 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 450/450 Permutation basis: 21936/21936 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5650 Number of blocks in projector: 2526 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 2516 Use submatrix version of eigh solver. (1) Block: 500 / 2516 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 2516 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2516 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2000 / 2516 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 2516 / 2516 (2) Block: 250 / 516 (2) 230 eigenvectors found. (2) Block: 516 / 516 (2) 239 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 486 eigenvectors found. (1) Complementary block size: 136 (1) Compute compressed projector. (1) Use standard solver. (1) 103 eigenvectors found. --- Eigsh_solver_block: 2 / 5 --- Block_size: 2496 Use submatrix version of eigh solver. (1) Block: 500 / 2496 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 2496 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2496 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2496 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2496 / 2496 (1) 464 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 5 --- Block_size: 636 Use submatrix version of eigh solver. (1) Block: 500 / 636 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 636 / 636 (1) 128 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (5650, 5576), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (636, 627), data: False |-- (636, 8), data: (636, 17) @ (17, 8) |-- (136, 128), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (2496, 2464), data: False |-- (2496, 108), data: (2496, 140) @ (140, 108) |-- (496, 464), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (2516, 2483), data: False |-- (2516, 103), data: (2516, 136) @ (136, 103) |-- (516, 486), data: False |-- (516, 17), data: (516, 47) @ (47, 17) |-- (266, 239), data: True |-- (250, 230), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 24), data: (500, 55) @ (55, 24) |-- (250, 224), data: True |-- (250, 221), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), 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 09:10:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:10:52]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3 (146) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.736790436535380 3.312137502818166 2.167843039999997 b -5.736790436535369 3.312137502818166 2.167843039999997 c 0.000000000000006 -6.624275005636341 2.167843039999997 Atomic positions (fractional): 1 Al 0.99756988850789 0.99756988850790 0.99756988850789 26.982 2 Al 0.19676149372563 0.70738425681481 0.91560864420033 26.982 3 Al 0.91560864420033 0.19676149372563 0.70738425681481 26.982 4 Al 0.70738425681481 0.91560864420033 0.19676149372563 26.982 5 O 0.92290679492319 0.47475079098626 0.89526666985557 15.999 6 O 0.89526666985557 0.92290679492319 0.47475079098626 15.999 7 O 0.47475079098626 0.89526666985557 0.92290679492319 15.999 8 O 0.49985681974887 0.31209390740949 0.60555701091148 15.999 9 O 0.60555701091147 0.49985681974887 0.31209390740949 15.999 10 O 0.31209390740949 0.60555701091148 0.49985681974886 15.999 11 O 0.75947420466679 0.72095215804001 0.97207773616045 15.999 12 O 0.97207773616045 0.75947420466679 0.72095215804001 15.999 13 O 0.72095215804001 0.97207773616045 0.75947420466679 15.999 14 O 0.25619018256052 0.98374358547728 0.17473681674565 15.999 15 O 0.17473681674565 0.25619018256053 0.98374358547728 15.999 16 O 0.98374358547728 0.17473681674565 0.25619018256053 15.999 17 O 0.12371857934171 0.42227972284378 0.66821177241340 15.999 18 O 0.66821177241340 0.12371857934171 0.42227972284378 15.999 19 O 0.42227972284378 0.66821177241341 0.12371857934171 15.999 20 B 0.47585944602958 0.14441713636141 0.40003690364825 10.811 21 B 0.40003690364825 0.47585944602959 0.14441713636141 10.811 22 B 0.14441713636141 0.40003690364825 0.47585944602959 10.811 23 B 0.72653545034330 0.50039613884623 0.82531386943815 10.811 24 B 0.82531386943815 0.72653545034330 0.50039613884622 10.811 25 B 0.50039613884622 0.82531386943815 0.72653545034330 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.473580873070750 0.000000000000000 0.000000000000000 b -5.736790436535375 9.936412508454508 0.000000000000000 c 0.000000000000000 0.000000000000000 13.007058239999996 Atomic positions (fractional): 1 Al 0.00000000000000 0.00000000000000 0.49878494425395 26.982 > 1 2 Al 0.00000000000000 0.00000000000000 0.99878494425395 26.982 > 1 3 Al 0.59017669547870 0.69097615404659 0.30329239912346 26.982 > 3 4 Al 0.59017669547870 0.69097615404659 0.80329239912346 26.982 > 3 5 Al 0.64235717928674 0.56586720809878 0.13662573245679 26.982 > 5 6 Al 0.64235717928674 0.56586720809878 0.63662573245679 26.982 > 5 7 Al 0.76746612523456 0.74315663785463 0.46995906579013 26.982 > 7 8 Al 0.76746612523456 0.74315663785463 0.96995906579013 26.982 > 7 9 Al 0.66666666666667 0.33333333333333 0.16545161092061 26.982 > 1 10 Al 0.66666666666667 0.33333333333333 0.66545161092061 26.982 > 1 11 Al 0.25684336214537 0.02430948737993 0.46995906579013 26.982 > 3 12 Al 0.25684336214537 0.02430948737993 0.96995906579013 26.982 > 3 13 Al 0.30902384595340 0.89920054143211 0.30329239912346 26.982 > 5 14 Al 0.30902384595340 0.89920054143211 0.80329239912346 26.982 > 5 15 Al 0.43413279190122 0.07648997118796 0.13662573245679 26.982 > 7 16 Al 0.43413279190122 0.07648997118796 0.63662573245679 26.982 > 7 17 Al 0.33333333333333 0.66666666666667 0.33211827758728 26.982 > 1 18 Al 0.33333333333333 0.66666666666667 0.83211827758728 26.982 > 1 19 Al 0.92351002881204 0.35764282071326 0.13662573245679 26.982 > 3 20 Al 0.92351002881204 0.35764282071326 0.63662573245679 26.982 > 3 21 Al 0.97569051262007 0.23253387476544 0.46995906579013 26.982 > 5 22 Al 0.97569051262007 0.23253387476544 0.96995906579013 26.982 > 5 23 Al 0.10079945856789 0.40982330452130 0.30329239912346 26.982 > 7 24 Al 0.10079945856789 0.40982330452130 0.80329239912346 26.982 > 7 25 O 0.49193204300152 0.53570808206610 0.21548737596084 15.999 > 25 26 O 0.49193204300152 0.53570808206610 0.71548737596084 15.999 > 25 27 O 0.79762525126723 0.62289062760208 0.04882070929417 15.999 > 27 28 O 0.79762525126723 0.62289062760208 0.54882070929417 15.999 > 27 29 O 0.71044270573125 0.84140129033182 0.38215404262750 15.999 > 29 30 O 0.71044270573125 0.84140129033182 0.88215404262750 15.999 > 29 31 O 0.02735424039226 0.86694556844513 0.23625128967830 15.999 > 31 32 O 0.02735424039226 0.86694556844513 0.73625128967830 15.999 > 31 33 O 0.79972109822153 0.49374200528045 0.40291795634497 15.999 > 33 34 O 0.79972109822153 0.49374200528045 0.90291795634497 15.999 > 33 35 O 0.17292466138621 0.63931242627441 0.06958462301164 15.999 > 35 36 O 0.17292466138621 0.63931242627441 0.56958462301164 15.999 > 35 37 O 0.94197283837770 0.84542363012863 0.40875068314454 15.999 > 37 38 O 0.94197283837770 0.84542363012863 0.90875068314454 15.999 > 37 39 O 0.82124303653804 0.42988254158241 0.07541734981121 15.999 > 39 40 O 0.82124303653804 0.42988254158241 0.57541734981121 15.999 > 39 41 O 0.23678412508426 0.72469382828896 0.24208401647787 15.999 > 41 42 O 0.23678412508426 0.72469382828896 0.74208401647787 15.999 > 41 43 O 0.45129998763271 0.63015337818217 0.40244509746391 15.999 > 43 44 O 0.45129998763271 0.63015337818217 0.90244509746391 15.999 > 43 45 O 0.70317995515116 0.48781327611720 0.23577843079724 15.999 > 45 46 O 0.70317995515116 0.48781327611720 0.73577843079724 15.999 > 45 47 O 0.84552005721613 0.88203334570062 0.06911176413058 15.999 > 47 48 O 0.84552005721613 0.88203334570062 0.56911176413057 15.999 > 47 49 O 0.71898188780874 0.73652491911956 0.20236834576648 15.999 > 49 50 O 0.71898188780874 0.73652491911956 0.70236834576648 15.999 > 49 51 O 0.59680841421377 0.64912363535585 0.03570167909981 15.999 > 51 52 O 0.59680841421377 0.64912363535585 0.53570167909981 15.999 > 51 53 O 0.68420969797748 0.61435144552459 0.36903501243315 15.999 > 53 54 O 0.68420969797748 0.61435144552459 0.86903501243315 15.999 > 53 55 O 0.15859870966818 0.86904141539944 0.38215404262750 15.999 > 25 56 O 0.15859870966818 0.86904141539944 0.88215404262750 15.999 > 25 57 O 0.46429191793390 0.95622396093542 0.21548737596084 15.999 > 27 58 O 0.46429191793390 0.95622396093542 0.71548737596084 15.999 > 27 59 O 0.37710937239792 0.17473462366515 0.04882070929417 15.999 > 29 60 O 0.37710937239792 0.17473462366515 0.54882070929417 15.999 > 29 61 O 0.69402090705892 0.20027890177847 0.40291795634497 15.999 > 31 62 O 0.69402090705892 0.20027890177847 0.90291795634497 15.999 > 31 63 O 0.46638776488820 0.82707533861379 0.06958462301164 15.999 > 33 64 O 0.46638776488820 0.82707533861379 0.56958462301164 15.999 > 33 65 O 0.83959132805288 0.97264575960775 0.23625128967830 15.999 > 35 66 O 0.83959132805288 0.97264575960775 0.73625128967830 15.999 > 35 67 O 0.60863950504437 0.17875696346196 0.07541734981121 15.999 > 37 68 O 0.60863950504437 0.17875696346196 0.57541734981121 15.999 > 37 69 O 0.48790970320470 0.76321587491574 0.24208401647787 15.999 > 39 70 O 0.48790970320470 0.76321587491574 0.74208401647787 15.999 > 39 71 O 0.90345079175092 0.05802716162230 0.40875068314454 15.999 > 41 72 O 0.90345079175092 0.05802716162230 0.90875068314454 15.999 > 41 73 O 0.11796665429938 0.96348671151550 0.06911176413058 15.999 > 43 74 O 0.11796665429938 0.96348671151550 0.56911176413057 15.999 > 43 75 O 0.36984662181783 0.82114660945054 0.40244509746391 15.999 > 45 76 O 0.36984662181783 0.82114660945054 0.90244509746391 15.999 > 45 77 O 0.51218672388280 0.21536667903396 0.23577843079724 15.999 > 47 78 O 0.51218672388280 0.21536667903396 0.73577843079724 15.999 > 47 79 O 0.38564855447541 0.06985825245289 0.36903501243315 15.999 > 49 80 O 0.38564855447541 0.06985825245289 0.86903501243315 15.999 > 49 81 O 0.26347508088044 0.98245696868919 0.20236834576648 15.999 > 51 82 O 0.26347508088044 0.98245696868919 0.70236834576648 15.999 > 51 83 O 0.35087636464415 0.94768477885792 0.03570167909981 15.999 > 53 84 O 0.35087636464415 0.94768477885792 0.53570167909981 15.999 > 53 85 O 0.82526537633485 0.20237474873277 0.04882070929417 15.999 > 25 86 O 0.82526537633485 0.20237474873277 0.54882070929417 15.999 > 25 87 O 0.13095858460057 0.28955729426875 0.38215404262750 15.999 > 27 88 O 0.13095858460057 0.28955729426875 0.88215404262750 15.999 > 27 89 O 0.04377603906458 0.50806795699848 0.21548737596084 15.999 > 29 90 O 0.04377603906458 0.50806795699848 0.71548737596084 15.999 > 29 91 O 0.36068757372559 0.53361223511180 0.06958462301164 15.999 > 31 92 O 0.36068757372559 0.53361223511180 0.56958462301164 15.999 > 31 93 O 0.13305443155486 0.16040867194712 0.23625128967830 15.999 > 33 94 O 0.13305443155486 0.16040867194712 0.73625128967830 15.999 > 33 95 O 0.50625799471955 0.30597909294108 0.40291795634497 15.999 > 35 96 O 0.50625799471955 0.30597909294108 0.90291795634497 15.999 > 35 97 O 0.27530617171104 0.51209029679530 0.24208401647787 15.999 > 37 98 O 0.27530617171104 0.51209029679530 0.74208401647787 15.999 > 37 99 O 0.15457636987137 0.09654920824908 0.40875068314454 15.999 > 39 100 O 0.15457636987137 0.09654920824908 0.90875068314454 15.999 > 39 101 O 0.57011745841759 0.39136049495563 0.07541734981121 15.999 > 41 102 O 0.57011745841759 0.39136049495563 0.57541734981121 15.999 > 41 103 O 0.78463332096604 0.29682004484884 0.23577843079724 15.999 > 43 104 O 0.78463332096604 0.29682004484884 0.73577843079724 15.999 > 43 105 O 0.03651328848449 0.15447994278387 0.06911176413058 15.999 > 45 106 O 0.03651328848449 0.15447994278387 0.56911176413057 15.999 > 45 107 O 0.17885339054946 0.54870001236729 0.40244509746391 15.999 > 47 108 O 0.17885339054946 0.54870001236729 0.90244509746391 15.999 > 47 109 O 0.05231522114208 0.40319158578622 0.03570167909981 15.999 > 49 110 O 0.05231522114208 0.40319158578622 0.53570167909981 15.999 > 49 111 O 0.93014174754711 0.31579030202252 0.36903501243315 15.999 > 51 112 O 0.93014174754711 0.31579030202252 0.86903501243315 15.999 > 51 113 O 0.01754303131081 0.28101811219126 0.20236834576648 15.999 > 53 114 O 0.01754303131081 0.28101811219126 0.70236834576648 15.999 > 53 115 B 0.46908828401650 0.60673425836483 0.00338558100654 10.811 > 115 116 B 0.46908828401650 0.60673425836483 0.50338558100654 10.811 > 115 117 B 0.72659907496850 0.52902069231834 0.33671891433987 10.811 > 117 118 B 0.72659907496850 0.52902069231834 0.83671891433987 10.811 > 117 119 B 0.80431264101500 0.86424504931683 0.17005224767321 10.811 > 119 120 B 0.80431264101500 0.86424504931683 0.67005224767321 10.811 > 119 121 B 0.04245363080074 0.85876795010441 0.34204090977128 10.811 > 121 122 B 0.04245363080074 0.85876795010441 0.84204090977128 10.811 > 121 123 B 0.80789871656226 0.51701901402967 0.00870757643795 10.811 > 123 124 B 0.80789871656226 0.51701901402967 0.50870757643795 10.811 > 123 125 B 0.14964765263700 0.62421303586592 0.17537424310461 10.811 > 125 126 B 0.14964765263700 0.62421303586592 0.67537424310461 10.811 > 125 127 B 0.13575495068317 0.94006759169817 0.17005224767321 10.811 > 115 128 B 0.13575495068317 0.94006759169817 0.67005224767321 10.811 > 115 129 B 0.39326574163516 0.86235402565167 0.00338558100654 10.811 > 117 130 B 0.39326574163516 0.86235402565167 0.50338558100654 10.811 > 117 131 B 0.47097930768167 0.19757838265016 0.33671891433987 10.811 > 119 132 B 0.47097930768167 0.19757838265016 0.83671891433987 10.811 > 119 133 B 0.70912029746741 0.19210128343774 0.00870757643795 10.811 > 121 134 B 0.70912029746741 0.19210128343774 0.50870757643795 10.811 > 121 135 B 0.47456538322892 0.85035234736300 0.17537424310461 10.811 > 123 136 B 0.47456538322892 0.85035234736300 0.67537424310461 10.811 > 123 137 B 0.81631431930366 0.95754636919926 0.34204090977128 10.811 > 125 138 B 0.81631431930366 0.95754636919926 0.84204090977128 10.811 > 125 139 B 0.80242161734984 0.27340092503150 0.33671891433987 10.811 > 115 140 B 0.80242161734984 0.27340092503150 0.83671891433987 10.811 > 115 141 B 0.05993240830183 0.19568735898500 0.17005224767321 10.811 > 117 142 B 0.05993240830183 0.19568735898500 0.67005224767321 10.811 > 117 143 B 0.13764597434833 0.53091171598350 0.00338558100654 10.811 > 119 144 B 0.13764597434833 0.53091171598350 0.50338558100654 10.811 > 119 145 B 0.37578696413408 0.52543461677107 0.17537424310461 10.811 > 121 146 B 0.37578696413408 0.52543461677107 0.67537424310461 10.811 > 121 147 B 0.14123204989559 0.18368568069634 0.34204090977128 10.811 > 123 148 B 0.14123204989559 0.18368568069634 0.84204090977128 10.811 > 123 149 B 0.48298098597033 0.29087970253259 0.00870757643795 10.811 > 125 150 B 0.48298098597033 0.29087970253259 0.50870757643795 10.811 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6488981 0.0000002 0.0000000 -0.0000002 2.6488981 0.0000000 0.0000000 0.0000000 2.8770122 -------------------------- Born effective charges -------------------------- 1 Al 2.8189284 -0.1652293 -0.0000000 0.1652293 2.8189284 0.0000000 -0.0000000 -0.0000000 3.2997655 2 Al 3.3257976 0.1993369 0.3926085 0.0280389 2.6426418 -0.0446585 -0.0095834 -0.0024490 3.0932258 3 Al 2.9118873 -0.2670100 -0.1576289 -0.4383081 3.0565520 0.3623382 0.0069125 -0.0070749 3.0932258 4 Al 2.7149741 0.3246202 -0.2349797 0.1533222 3.2534652 -0.3176797 0.0026708 0.0095239 3.0932258 5 O -2.3428476 -0.1672894 -0.1942988 -0.0277386 -1.1716872 -0.1884171 -0.1694274 -0.2488313 -1.5469767 6 O -1.5489269 0.4861089 0.2603234 0.6256598 -1.9656079 -0.0740591 0.3002079 -0.0223128 -1.5469767 7 O -1.3800277 -0.5281458 -0.0660246 -0.3885949 -2.1345071 0.2624762 -0.1307805 0.2711441 -1.5469767 8 O -1.3652762 -0.2754853 0.2891128 -0.3170420 -0.8445543 0.4066945 0.2928842 0.4431959 -2.4153283 9 O -1.2313066 0.3943894 -0.4967642 0.3528327 -0.9785239 0.0470318 -0.5302610 0.0320471 -2.4153283 10 O -0.7181629 -0.0565691 0.2076514 -0.0981257 -1.4916676 -0.4537263 0.2373769 -0.4752431 -2.4153283 11 O -2.1443999 -0.1526781 0.7138186 -0.4387558 -1.4701981 0.1797344 0.6388226 -0.0205724 -1.7790468 12 O -1.8948469 0.5828353 -0.5125638 0.2967576 -1.7197511 0.5283179 -0.3015951 0.5635228 -1.7790468 13 O -1.3826502 -0.0010407 -0.2012548 -0.2871183 -2.2319478 -0.7080522 -0.3372275 -0.5429504 -1.7790468 14 O -1.7067773 0.0140112 -0.3546901 -0.0284210 -0.9646923 0.2913066 -0.2209605 0.3947467 -2.5609786 15 O -1.1564532 0.3461508 -0.0749338 0.3037186 -1.5150165 -0.4528239 -0.2313804 -0.3887307 -2.5609786 16 O -1.1439739 -0.2965137 0.4296239 -0.3389459 -1.5274957 0.1615174 0.4523409 -0.0060160 -2.5609786 17 O -1.2156179 -0.4973974 0.2217724 -0.2322826 -2.3144122 0.1715469 0.2782517 0.0384336 -1.5540291 18 O -2.3556743 -0.4259293 -0.2594502 -0.1608145 -1.1743558 0.1062871 -0.1724103 0.2217563 -1.5540291 19 O -1.7237529 0.5256545 0.0376777 0.7907693 -1.8062771 -0.2778340 -0.1058414 -0.2601899 -1.5540291 20 B 2.5076181 0.4530867 0.2160885 0.3326614 1.2993005 -0.4544210 -0.0865782 -0.6034190 2.8986514 21 B 1.9416188 -0.6594412 0.2854959 -0.7798666 1.8652998 0.4143486 0.5658652 0.2267306 2.8986514 22 B 1.2611410 0.3869925 -0.5015844 0.2665672 2.5457776 0.0400724 -0.4792871 0.3766884 2.8986514 23 B 2.7902120 0.1352045 -0.3808033 0.2821759 1.0956073 -0.1855161 -0.1451549 -0.0585344 2.7645605 24 B 1.6999895 -0.9116162 0.3510633 -0.7646447 2.1858298 -0.2370273 0.1232698 -0.0964406 2.7645605 25 B 1.3385274 0.5559545 0.0297400 0.7029259 2.5472918 0.4225434 0.0218851 0.1549751 2.7645605 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 115, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (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 09:11:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:11:57]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3 (146) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.736790436535380 3.312137502818166 2.167843039999997 b -5.736790436535369 3.312137502818166 2.167843039999997 c 0.000000000000006 -6.624275005636341 2.167843039999997 Atomic positions (fractional): 1 Al 0.99756988850789 0.99756988850790 0.99756988850789 26.982 2 Al 0.19676149372563 0.70738425681481 0.91560864420033 26.982 3 Al 0.91560864420033 0.19676149372563 0.70738425681481 26.982 4 Al 0.70738425681481 0.91560864420033 0.19676149372563 26.982 5 O 0.92290679492319 0.47475079098626 0.89526666985557 15.999 6 O 0.89526666985557 0.92290679492319 0.47475079098626 15.999 7 O 0.47475079098626 0.89526666985557 0.92290679492319 15.999 8 O 0.49985681974887 0.31209390740949 0.60555701091148 15.999 9 O 0.60555701091147 0.49985681974887 0.31209390740949 15.999 10 O 0.31209390740949 0.60555701091148 0.49985681974886 15.999 11 O 0.75947420466679 0.72095215804001 0.97207773616045 15.999 12 O 0.97207773616045 0.75947420466679 0.72095215804001 15.999 13 O 0.72095215804001 0.97207773616045 0.75947420466679 15.999 14 O 0.25619018256052 0.98374358547728 0.17473681674565 15.999 15 O 0.17473681674565 0.25619018256053 0.98374358547728 15.999 16 O 0.98374358547728 0.17473681674565 0.25619018256053 15.999 17 O 0.12371857934171 0.42227972284378 0.66821177241340 15.999 18 O 0.66821177241340 0.12371857934171 0.42227972284378 15.999 19 O 0.42227972284378 0.66821177241341 0.12371857934171 15.999 20 B 0.47585944602958 0.14441713636141 0.40003690364825 10.811 21 B 0.40003690364825 0.47585944602959 0.14441713636141 10.811 22 B 0.14441713636141 0.40003690364825 0.47585944602959 10.811 23 B 0.72653545034330 0.50039613884623 0.82531386943815 10.811 24 B 0.82531386943815 0.72653545034330 0.50039613884622 10.811 25 B 0.50039613884622 0.82531386943815 0.72653545034330 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.473580873070750 0.000000000000000 0.000000000000000 b -5.736790436535375 9.936412508454508 0.000000000000000 c 0.000000000000000 0.000000000000000 13.007058239999996 Atomic positions (fractional): 1 Al 0.00000000000000 0.00000000000000 0.49878494425395 26.982 > 1 2 Al 0.00000000000000 0.00000000000000 0.99878494425395 26.982 > 1 3 Al 0.59017669547870 0.69097615404659 0.30329239912346 26.982 > 3 4 Al 0.59017669547870 0.69097615404659 0.80329239912346 26.982 > 3 5 Al 0.64235717928674 0.56586720809878 0.13662573245679 26.982 > 5 6 Al 0.64235717928674 0.56586720809878 0.63662573245679 26.982 > 5 7 Al 0.76746612523456 0.74315663785463 0.46995906579013 26.982 > 7 8 Al 0.76746612523456 0.74315663785463 0.96995906579013 26.982 > 7 9 Al 0.66666666666667 0.33333333333333 0.16545161092061 26.982 > 1 10 Al 0.66666666666667 0.33333333333333 0.66545161092061 26.982 > 1 11 Al 0.25684336214537 0.02430948737993 0.46995906579013 26.982 > 3 12 Al 0.25684336214537 0.02430948737993 0.96995906579013 26.982 > 3 13 Al 0.30902384595340 0.89920054143211 0.30329239912346 26.982 > 5 14 Al 0.30902384595340 0.89920054143211 0.80329239912346 26.982 > 5 15 Al 0.43413279190122 0.07648997118796 0.13662573245679 26.982 > 7 16 Al 0.43413279190122 0.07648997118796 0.63662573245679 26.982 > 7 17 Al 0.33333333333333 0.66666666666667 0.33211827758728 26.982 > 1 18 Al 0.33333333333333 0.66666666666667 0.83211827758728 26.982 > 1 19 Al 0.92351002881204 0.35764282071326 0.13662573245679 26.982 > 3 20 Al 0.92351002881204 0.35764282071326 0.63662573245679 26.982 > 3 21 Al 0.97569051262007 0.23253387476544 0.46995906579013 26.982 > 5 22 Al 0.97569051262007 0.23253387476544 0.96995906579013 26.982 > 5 23 Al 0.10079945856789 0.40982330452130 0.30329239912346 26.982 > 7 24 Al 0.10079945856789 0.40982330452130 0.80329239912346 26.982 > 7 25 O 0.49193204300152 0.53570808206610 0.21548737596084 15.999 > 25 26 O 0.49193204300152 0.53570808206610 0.71548737596084 15.999 > 25 27 O 0.79762525126723 0.62289062760208 0.04882070929417 15.999 > 27 28 O 0.79762525126723 0.62289062760208 0.54882070929417 15.999 > 27 29 O 0.71044270573125 0.84140129033182 0.38215404262750 15.999 > 29 30 O 0.71044270573125 0.84140129033182 0.88215404262750 15.999 > 29 31 O 0.02735424039226 0.86694556844513 0.23625128967830 15.999 > 31 32 O 0.02735424039226 0.86694556844513 0.73625128967830 15.999 > 31 33 O 0.79972109822153 0.49374200528045 0.40291795634497 15.999 > 33 34 O 0.79972109822153 0.49374200528045 0.90291795634497 15.999 > 33 35 O 0.17292466138621 0.63931242627441 0.06958462301164 15.999 > 35 36 O 0.17292466138621 0.63931242627441 0.56958462301164 15.999 > 35 37 O 0.94197283837770 0.84542363012863 0.40875068314454 15.999 > 37 38 O 0.94197283837770 0.84542363012863 0.90875068314454 15.999 > 37 39 O 0.82124303653804 0.42988254158241 0.07541734981121 15.999 > 39 40 O 0.82124303653804 0.42988254158241 0.57541734981121 15.999 > 39 41 O 0.23678412508426 0.72469382828896 0.24208401647787 15.999 > 41 42 O 0.23678412508426 0.72469382828896 0.74208401647787 15.999 > 41 43 O 0.45129998763271 0.63015337818217 0.40244509746391 15.999 > 43 44 O 0.45129998763271 0.63015337818217 0.90244509746391 15.999 > 43 45 O 0.70317995515116 0.48781327611720 0.23577843079724 15.999 > 45 46 O 0.70317995515116 0.48781327611720 0.73577843079724 15.999 > 45 47 O 0.84552005721613 0.88203334570062 0.06911176413058 15.999 > 47 48 O 0.84552005721613 0.88203334570062 0.56911176413057 15.999 > 47 49 O 0.71898188780874 0.73652491911956 0.20236834576648 15.999 > 49 50 O 0.71898188780874 0.73652491911956 0.70236834576648 15.999 > 49 51 O 0.59680841421377 0.64912363535585 0.03570167909981 15.999 > 51 52 O 0.59680841421377 0.64912363535585 0.53570167909981 15.999 > 51 53 O 0.68420969797748 0.61435144552459 0.36903501243315 15.999 > 53 54 O 0.68420969797748 0.61435144552459 0.86903501243315 15.999 > 53 55 O 0.15859870966818 0.86904141539944 0.38215404262750 15.999 > 25 56 O 0.15859870966818 0.86904141539944 0.88215404262750 15.999 > 25 57 O 0.46429191793390 0.95622396093542 0.21548737596084 15.999 > 27 58 O 0.46429191793390 0.95622396093542 0.71548737596084 15.999 > 27 59 O 0.37710937239792 0.17473462366515 0.04882070929417 15.999 > 29 60 O 0.37710937239792 0.17473462366515 0.54882070929417 15.999 > 29 61 O 0.69402090705892 0.20027890177847 0.40291795634497 15.999 > 31 62 O 0.69402090705892 0.20027890177847 0.90291795634497 15.999 > 31 63 O 0.46638776488820 0.82707533861379 0.06958462301164 15.999 > 33 64 O 0.46638776488820 0.82707533861379 0.56958462301164 15.999 > 33 65 O 0.83959132805288 0.97264575960775 0.23625128967830 15.999 > 35 66 O 0.83959132805288 0.97264575960775 0.73625128967830 15.999 > 35 67 O 0.60863950504437 0.17875696346196 0.07541734981121 15.999 > 37 68 O 0.60863950504437 0.17875696346196 0.57541734981121 15.999 > 37 69 O 0.48790970320470 0.76321587491574 0.24208401647787 15.999 > 39 70 O 0.48790970320470 0.76321587491574 0.74208401647787 15.999 > 39 71 O 0.90345079175092 0.05802716162230 0.40875068314454 15.999 > 41 72 O 0.90345079175092 0.05802716162230 0.90875068314454 15.999 > 41 73 O 0.11796665429938 0.96348671151550 0.06911176413058 15.999 > 43 74 O 0.11796665429938 0.96348671151550 0.56911176413057 15.999 > 43 75 O 0.36984662181783 0.82114660945054 0.40244509746391 15.999 > 45 76 O 0.36984662181783 0.82114660945054 0.90244509746391 15.999 > 45 77 O 0.51218672388280 0.21536667903396 0.23577843079724 15.999 > 47 78 O 0.51218672388280 0.21536667903396 0.73577843079724 15.999 > 47 79 O 0.38564855447541 0.06985825245289 0.36903501243315 15.999 > 49 80 O 0.38564855447541 0.06985825245289 0.86903501243315 15.999 > 49 81 O 0.26347508088044 0.98245696868919 0.20236834576648 15.999 > 51 82 O 0.26347508088044 0.98245696868919 0.70236834576648 15.999 > 51 83 O 0.35087636464415 0.94768477885792 0.03570167909981 15.999 > 53 84 O 0.35087636464415 0.94768477885792 0.53570167909981 15.999 > 53 85 O 0.82526537633485 0.20237474873277 0.04882070929417 15.999 > 25 86 O 0.82526537633485 0.20237474873277 0.54882070929417 15.999 > 25 87 O 0.13095858460057 0.28955729426875 0.38215404262750 15.999 > 27 88 O 0.13095858460057 0.28955729426875 0.88215404262750 15.999 > 27 89 O 0.04377603906458 0.50806795699848 0.21548737596084 15.999 > 29 90 O 0.04377603906458 0.50806795699848 0.71548737596084 15.999 > 29 91 O 0.36068757372559 0.53361223511180 0.06958462301164 15.999 > 31 92 O 0.36068757372559 0.53361223511180 0.56958462301164 15.999 > 31 93 O 0.13305443155486 0.16040867194712 0.23625128967830 15.999 > 33 94 O 0.13305443155486 0.16040867194712 0.73625128967830 15.999 > 33 95 O 0.50625799471955 0.30597909294108 0.40291795634497 15.999 > 35 96 O 0.50625799471955 0.30597909294108 0.90291795634497 15.999 > 35 97 O 0.27530617171104 0.51209029679530 0.24208401647787 15.999 > 37 98 O 0.27530617171104 0.51209029679530 0.74208401647787 15.999 > 37 99 O 0.15457636987137 0.09654920824908 0.40875068314454 15.999 > 39 100 O 0.15457636987137 0.09654920824908 0.90875068314454 15.999 > 39 101 O 0.57011745841759 0.39136049495563 0.07541734981121 15.999 > 41 102 O 0.57011745841759 0.39136049495563 0.57541734981121 15.999 > 41 103 O 0.78463332096604 0.29682004484884 0.23577843079724 15.999 > 43 104 O 0.78463332096604 0.29682004484884 0.73577843079724 15.999 > 43 105 O 0.03651328848449 0.15447994278387 0.06911176413058 15.999 > 45 106 O 0.03651328848449 0.15447994278387 0.56911176413057 15.999 > 45 107 O 0.17885339054946 0.54870001236729 0.40244509746391 15.999 > 47 108 O 0.17885339054946 0.54870001236729 0.90244509746391 15.999 > 47 109 O 0.05231522114208 0.40319158578622 0.03570167909981 15.999 > 49 110 O 0.05231522114208 0.40319158578622 0.53570167909981 15.999 > 49 111 O 0.93014174754711 0.31579030202252 0.36903501243315 15.999 > 51 112 O 0.93014174754711 0.31579030202252 0.86903501243315 15.999 > 51 113 O 0.01754303131081 0.28101811219126 0.20236834576648 15.999 > 53 114 O 0.01754303131081 0.28101811219126 0.70236834576648 15.999 > 53 115 B 0.46908828401650 0.60673425836483 0.00338558100654 10.811 > 115 116 B 0.46908828401650 0.60673425836483 0.50338558100654 10.811 > 115 117 B 0.72659907496850 0.52902069231834 0.33671891433987 10.811 > 117 118 B 0.72659907496850 0.52902069231834 0.83671891433987 10.811 > 117 119 B 0.80431264101500 0.86424504931683 0.17005224767321 10.811 > 119 120 B 0.80431264101500 0.86424504931683 0.67005224767321 10.811 > 119 121 B 0.04245363080074 0.85876795010441 0.34204090977128 10.811 > 121 122 B 0.04245363080074 0.85876795010441 0.84204090977128 10.811 > 121 123 B 0.80789871656226 0.51701901402967 0.00870757643795 10.811 > 123 124 B 0.80789871656226 0.51701901402967 0.50870757643795 10.811 > 123 125 B 0.14964765263700 0.62421303586592 0.17537424310461 10.811 > 125 126 B 0.14964765263700 0.62421303586592 0.67537424310461 10.811 > 125 127 B 0.13575495068317 0.94006759169817 0.17005224767321 10.811 > 115 128 B 0.13575495068317 0.94006759169817 0.67005224767321 10.811 > 115 129 B 0.39326574163516 0.86235402565167 0.00338558100654 10.811 > 117 130 B 0.39326574163516 0.86235402565167 0.50338558100654 10.811 > 117 131 B 0.47097930768167 0.19757838265016 0.33671891433987 10.811 > 119 132 B 0.47097930768167 0.19757838265016 0.83671891433987 10.811 > 119 133 B 0.70912029746741 0.19210128343774 0.00870757643795 10.811 > 121 134 B 0.70912029746741 0.19210128343774 0.50870757643795 10.811 > 121 135 B 0.47456538322892 0.85035234736300 0.17537424310461 10.811 > 123 136 B 0.47456538322892 0.85035234736300 0.67537424310461 10.811 > 123 137 B 0.81631431930366 0.95754636919926 0.34204090977128 10.811 > 125 138 B 0.81631431930366 0.95754636919926 0.84204090977128 10.811 > 125 139 B 0.80242161734984 0.27340092503150 0.33671891433987 10.811 > 115 140 B 0.80242161734984 0.27340092503150 0.83671891433987 10.811 > 115 141 B 0.05993240830183 0.19568735898500 0.17005224767321 10.811 > 117 142 B 0.05993240830183 0.19568735898500 0.67005224767321 10.811 > 117 143 B 0.13764597434833 0.53091171598350 0.00338558100654 10.811 > 119 144 B 0.13764597434833 0.53091171598350 0.50338558100654 10.811 > 119 145 B 0.37578696413408 0.52543461677107 0.17537424310461 10.811 > 121 146 B 0.37578696413408 0.52543461677107 0.67537424310461 10.811 > 121 147 B 0.14123204989559 0.18368568069634 0.34204090977128 10.811 > 123 148 B 0.14123204989559 0.18368568069634 0.84204090977128 10.811 > 123 149 B 0.48298098597033 0.29087970253259 0.00870757643795 10.811 > 125 150 B 0.48298098597033 0.29087970253259 0.50870757643795 10.811 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6488981 0.0000002 0.0000000 -0.0000002 2.6488981 0.0000000 0.0000000 0.0000000 2.8770122 -------------------------- Born effective charges -------------------------- 1 Al 2.8189284 -0.1652293 -0.0000000 0.1652293 2.8189284 0.0000000 -0.0000000 -0.0000000 3.2997655 2 Al 3.3257976 0.1993369 0.3926085 0.0280389 2.6426418 -0.0446585 -0.0095834 -0.0024490 3.0932258 3 Al 2.9118873 -0.2670100 -0.1576289 -0.4383081 3.0565520 0.3623382 0.0069125 -0.0070749 3.0932258 4 Al 2.7149741 0.3246202 -0.2349797 0.1533222 3.2534652 -0.3176797 0.0026708 0.0095239 3.0932258 5 O -2.3428476 -0.1672894 -0.1942988 -0.0277386 -1.1716872 -0.1884171 -0.1694274 -0.2488313 -1.5469767 6 O -1.5489269 0.4861089 0.2603234 0.6256598 -1.9656079 -0.0740591 0.3002079 -0.0223128 -1.5469767 7 O -1.3800277 -0.5281458 -0.0660246 -0.3885949 -2.1345071 0.2624762 -0.1307805 0.2711441 -1.5469767 8 O -1.3652762 -0.2754853 0.2891128 -0.3170420 -0.8445543 0.4066945 0.2928842 0.4431959 -2.4153283 9 O -1.2313066 0.3943894 -0.4967642 0.3528327 -0.9785239 0.0470318 -0.5302610 0.0320471 -2.4153283 10 O -0.7181629 -0.0565691 0.2076514 -0.0981257 -1.4916676 -0.4537263 0.2373769 -0.4752431 -2.4153283 11 O -2.1443999 -0.1526781 0.7138186 -0.4387558 -1.4701981 0.1797344 0.6388226 -0.0205724 -1.7790468 12 O -1.8948469 0.5828353 -0.5125638 0.2967576 -1.7197511 0.5283179 -0.3015951 0.5635228 -1.7790468 13 O -1.3826502 -0.0010407 -0.2012548 -0.2871183 -2.2319478 -0.7080522 -0.3372275 -0.5429504 -1.7790468 14 O -1.7067773 0.0140112 -0.3546901 -0.0284210 -0.9646923 0.2913066 -0.2209605 0.3947467 -2.5609786 15 O -1.1564532 0.3461508 -0.0749338 0.3037186 -1.5150165 -0.4528239 -0.2313804 -0.3887307 -2.5609786 16 O -1.1439739 -0.2965137 0.4296239 -0.3389459 -1.5274957 0.1615174 0.4523409 -0.0060160 -2.5609786 17 O -1.2156179 -0.4973974 0.2217724 -0.2322826 -2.3144122 0.1715469 0.2782517 0.0384336 -1.5540291 18 O -2.3556743 -0.4259293 -0.2594502 -0.1608145 -1.1743558 0.1062871 -0.1724103 0.2217563 -1.5540291 19 O -1.7237529 0.5256545 0.0376777 0.7907693 -1.8062771 -0.2778340 -0.1058414 -0.2601899 -1.5540291 20 B 2.5076181 0.4530867 0.2160885 0.3326614 1.2993005 -0.4544210 -0.0865782 -0.6034190 2.8986514 21 B 1.9416188 -0.6594412 0.2854959 -0.7798666 1.8652998 0.4143486 0.5658652 0.2267306 2.8986514 22 B 1.2611410 0.3869925 -0.5015844 0.2665672 2.5457776 0.0400724 -0.4792871 0.3766884 2.8986514 23 B 2.7902120 0.1352045 -0.3808033 0.2821759 1.0956073 -0.1855161 -0.1451549 -0.0585344 2.7645605 24 B 1.6999895 -0.9116162 0.3510633 -0.7646447 2.1858298 -0.2370273 0.1232698 -0.0964406 2.7645605 25 B 1.3385274 0.5559545 0.0297400 0.7029259 2.5472918 0.4225434 0.0218851 0.1549751 2.7645605 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 9 9 9 ] 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: 0.66, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.919 ( -0.000 0.000 -0.000) 0.000 4.919 ( -0.000 0.000 -0.000) 0.000 5.162 ( 0.000 -0.000 -0.000) 0.000 6.697 ( 0.000 -0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 -0.000) 0.000 7.779 ( 0.000 -0.000 0.000) 0.000 8.099 ( -0.000 0.000 -0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 -0.000) 0.000 8.475 ( 0.000 -0.000 -0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 -0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.203 ( 0.000 0.000 -0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 -0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 -0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 -0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 -0.000) 0.000 12.775 ( 0.000 0.000 0.000) 0.000 12.775 ( 0.000 0.000 -0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 -0.000) 0.000 13.869 ( 0.000 0.000 -0.000) 0.000 14.597 ( 0.000 0.000 -0.000) 0.000 15.298 ( 0.000 0.000 -0.000) 0.000 15.298 ( 0.000 0.000 -0.000) 0.000 15.874 ( 0.000 -0.000 -0.000) 0.000 16.160 ( -0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 0.000) 0.000 16.397 ( 0.000 0.000 0.000) 0.000 17.363 ( 0.000 0.000 0.000) 0.000 17.363 ( 0.000 0.000 0.000) 0.000 17.954 ( 0.000 0.000 0.000) 0.000 17.984 ( 0.000 0.000 -0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.863 ( 0.000 0.000 -0.000) 0.000 19.179 ( 0.000 0.000 0.000) 0.000 19.179 ( 0.000 0.000 0.000) 0.000 19.974 ( 0.000 0.000 -0.000) 0.000 19.974 ( 0.000 0.000 -0.000) 0.000 20.549 ( 0.000 0.000 0.000) 0.000 20.549 ( 0.000 0.000 0.000) 0.000 20.720 ( 0.000 0.000 0.000) 0.000 21.533 ( 0.000 0.000 0.000) 0.000 21.829 ( 0.000 0.000 0.000) 0.000 21.872 ( 0.000 0.000 0.000) 0.000 21.872 ( 0.000 0.000 0.000) 0.000 26.521 ( 0.000 0.000 0.000) 0.000 26.712 ( 0.000 0.000 -0.000) 0.000 26.712 ( 0.000 0.000 0.000) 0.000 29.650 ( 0.000 0.000 0.000) 0.000 30.597 ( 0.000 0.000 -0.000) 0.000 30.597 ( 0.000 0.000 0.000) 0.000 36.647 ( 0.000 0.000 0.000) 0.000 36.647 ( 0.000 0.000 -0.000) 0.000 36.771 ( 0.000 0.000 0.000) 0.000 37.445 ( 0.000 0.000 -0.000) 0.000 38.124 ( 0.000 0.000 0.000) 0.000 38.124 ( 0.000 0.000 -0.000) 0.000 39.452 ( 0.000 0.000 0.000) 0.000 39.452 ( 0.000 -0.000 0.000) 0.000 40.732 ( 0.000 0.000 0.000) 0.000 40.732 ( 0.000 0.000 -0.000) 0.000 40.855 ( 0.000 0.000 0.000) 0.000 41.912 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 18.218 12.206 46.935) 51.805 1.185 ( 21.952 11.036 50.731) 56.368 2.136 ( 21.617 12.510 104.508) 107.451 4.873 ( -1.988 -1.429 1.033) 2.657 4.990 ( -3.404 -1.366 6.241) 7.239 5.261 ( 6.553 3.441 5.190) 9.040 6.608 ( -4.618 -2.111 -4.208) 6.594 6.723 ( -0.126 -1.496 -1.181) 1.910 6.835 ( 0.328 1.014 -5.121) 5.231 7.655 ( -3.121 -5.329 -15.395) 16.587 7.752 ( -2.778 2.243 -9.205) 9.873 8.189 ( -5.489 -5.200 -7.721) 10.807 8.342 ( 2.441 3.661 -8.834) 9.869 8.695 ( 2.064 1.627 11.315) 11.616 9.014 ( -4.261 -3.325 -10.432) 11.749 9.249 ( -0.361 -1.146 -10.239) 10.309 9.493 ( 5.942 3.760 0.303) 7.038 9.899 ( -6.062 -2.956 11.361) 13.212 10.023 ( 5.290 1.256 7.467) 9.236 10.156 ( -1.442 -2.047 1.042) 2.712 10.337 ( 0.188 3.049 3.714) 4.809 10.506 ( -0.645 -0.419 14.831) 14.851 11.266 ( 2.047 -3.244 -18.568) 18.960 11.411 ( 1.809 3.135 -14.448) 14.894 11.653 ( 1.748 2.441 -6.652) 7.298 12.210 ( -16.428 2.161 -8.136) 18.459 12.394 ( -0.319 -18.616 -7.829) 20.197 12.673 ( -7.126 3.572 4.768) 9.288 12.762 ( 8.385 3.047 -7.738) 11.810 12.903 ( 7.623 6.131 4.252) 10.667 13.372 ( 4.545 3.654 -13.841) 15.020 13.726 ( 2.580 3.355 2.552) 4.942 14.259 ( 5.513 2.217 -4.882) 7.690 14.818 ( -5.035 -5.475 18.034) 19.508 15.084 ( 5.333 3.187 -7.486) 9.728 15.555 ( -7.506 -2.675 16.438) 18.267 15.952 ( 0.761 -0.652 -9.206) 9.260 16.272 ( 0.443 0.776 2.727) 2.870 16.396 ( 1.348 0.008 9.368) 9.465 17.052 ( -23.468 -11.721 6.156) 26.945 17.313 ( -0.366 -1.827 -2.956) 3.494 17.499 ( 8.035 4.546 -13.201) 16.108 17.920 ( -1.458 -0.879 -0.011) 1.702 18.015 ( -9.885 -2.131 12.695) 16.230 18.310 ( 0.043 -3.830 11.996) 12.593 18.884 ( -0.006 0.204 1.864) 1.876 19.128 ( -1.189 1.458 -4.595) 4.965 19.283 ( 13.072 3.787 -10.075) 16.933 19.977 ( 0.953 -3.579 0.770) 3.783 20.157 ( 14.743 13.838 -8.612) 21.978 20.512 ( -0.980 -0.061 2.165) 2.378 20.749 ( -0.073 0.453 13.186) 13.194 21.138 ( 3.861 1.925 -4.811) 6.462 21.682 ( -7.749 -5.128 0.372) 9.299 21.811 ( -2.113 -0.290 -1.218) 2.456 21.889 ( 0.424 0.429 0.985) 1.155 22.488 ( 21.035 12.180 -19.154) 30.946 26.540 ( 0.776 1.185 -7.189) 7.327 26.578 ( 0.849 -0.888 1.298) 1.787 26.931 ( 0.334 0.648 12.343) 12.365 30.121 ( -12.830 -7.491 13.705) 20.213 30.369 ( -0.239 -0.242 -14.531) 14.535 30.730 ( -0.918 -0.563 4.483) 4.610 36.578 ( -2.659 -0.979 -1.490) 3.202 36.726 ( 1.074 -0.597 3.168) 3.398 37.201 ( 0.668 0.812 3.436) 3.594 37.915 ( -15.277 -9.171 6.014) 18.806 38.167 ( -4.135 -2.282 6.045) 7.671 39.181 ( -26.480 -13.449 13.422) 32.592 39.501 ( -0.216 -0.932 5.575) 5.657 39.965 ( -7.833 -0.294 4.533) 9.055 40.491 ( 7.339 -0.760 -17.764) 19.235 40.981 ( -5.456 -5.445 10.845) 13.305 41.452 ( 24.098 14.733 -5.465) 28.768 43.760 ( -45.368 -24.572 30.748) 60.063 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 18.125 9.895 45.969) 50.394 2.280 ( 20.196 11.574 45.367) 50.990 4.019 ( 13.519 8.978 83.111) 84.681 4.897 ( -2.806 -1.209 4.448) 5.396 5.080 ( -1.875 -0.577 9.102) 9.311 5.493 ( 8.589 4.101 11.181) 14.683 6.444 ( -6.482 -6.823 -5.010) 10.662 6.606 ( -4.070 1.266 -10.962) 11.762 6.731 ( 1.602 -1.047 -6.220) 6.508 7.364 ( -3.305 -1.251 -13.729) 14.176 7.601 ( -2.631 -2.697 -4.457) 5.836 7.931 ( -0.974 -0.087 -11.505) 11.546 8.172 ( 2.734 0.459 -14.805) 15.063 8.688 ( -11.870 1.648 -3.514) 12.488 8.952 ( 5.043 -6.139 1.765) 8.138 9.174 ( 3.271 0.839 -1.193) 3.581 9.520 ( 1.194 1.731 -3.053) 3.707 9.783 ( -6.020 -1.101 -10.255) 11.942 10.065 ( 3.814 0.034 2.687) 4.666 10.287 ( -0.923 -4.152 0.689) 4.309 10.557 ( -5.157 -1.903 12.303) 13.475 10.780 ( 0.288 5.205 10.160) 11.419 10.922 ( 2.863 -2.952 -11.533) 12.244 11.203 ( 6.257 5.717 -11.138) 13.996 11.493 ( -5.399 2.738 -13.136) 14.464 11.872 ( -11.515 -0.371 -6.450) 13.204 12.252 ( 7.949 -13.743 -6.219) 17.051 12.611 ( -10.282 0.244 -0.094) 10.285 12.735 ( 6.559 1.157 -6.369) 9.216 13.022 ( 0.296 4.555 0.515) 4.593 13.311 ( 5.074 5.142 -1.986) 7.492 13.765 ( 2.023 4.009 -2.769) 5.275 14.247 ( 3.270 -1.505 -3.987) 5.372 14.793 ( -0.449 -3.484 -3.941) 5.279 15.376 ( -4.940 1.388 26.684) 27.173 15.615 ( -16.186 -7.006 3.979) 18.080 15.861 ( 2.105 -1.133 -1.385) 2.763 16.243 ( 0.661 0.483 -6.811) 6.860 16.513 ( 5.295 -2.033 4.028) 6.956 16.852 ( -1.737 2.571 -10.224) 10.684 17.177 ( 2.303 4.270 -13.282) 14.140 17.532 ( 7.192 -0.149 3.438) 7.973 17.900 ( 0.627 -4.804 0.109) 4.846 18.165 ( -6.789 1.347 13.495) 15.166 18.398 ( -4.895 -3.685 3.415) 7.015 18.926 ( -0.319 1.681 1.495) 2.272 19.080 ( 2.180 1.480 -0.747) 2.739 19.276 ( 9.935 1.527 -5.468) 11.442 19.981 ( 0.567 -1.495 0.755) 1.768 20.251 ( 5.925 9.125 0.176) 10.881 20.558 ( -4.970 -2.970 5.155) 7.753 20.976 ( -3.033 -1.655 14.490) 14.896 21.124 ( 5.249 2.414 -1.929) 6.091 21.572 ( -2.379 -2.574 -3.780) 5.155 21.764 ( -2.714 -0.384 -1.130) 2.965 21.913 ( 1.621 0.792 0.225) 1.818 22.408 ( 7.466 4.903 -11.947) 14.917 26.471 ( 2.982 2.059 -3.479) 5.023 26.633 ( 0.784 -0.276 3.890) 3.978 27.116 ( -0.774 -0.092 8.433) 8.469 30.090 ( -1.436 -0.789 -9.636) 9.774 30.250 ( -3.227 -2.084 7.214) 8.173 30.728 ( -1.853 -1.216 -2.424) 3.285 36.530 ( -4.631 -0.976 0.318) 4.744 36.771 ( 0.472 -3.188 3.075) 4.454 37.313 ( 6.524 5.532 3.029) 9.075 37.819 ( -7.007 -4.356 0.045) 8.251 38.187 ( -2.291 -2.008 0.938) 3.187 39.054 ( -18.138 -7.648 4.422) 20.175 39.604 ( 1.447 -1.733 5.777) 6.202 39.959 ( -5.071 5.610 0.912) 7.617 40.326 ( 8.030 -2.224 -9.134) 12.363 41.001 ( -5.497 -5.717 2.799) 8.410 41.726 ( 13.372 6.488 7.230) 16.528 43.691 ( -22.915 -10.497 11.542) 27.721 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 16.719 4.096 42.548) 45.898 3.241 ( 17.407 14.091 37.481) 43.662 4.894 ( -3.187 -1.806 1.302) 3.888 5.022 ( -1.343 0.806 18.636) 18.702 5.277 ( 0.538 3.158 10.675) 11.146 5.849 ( -3.252 0.405 14.210) 14.583 6.213 ( -6.601 -1.066 -13.608) 15.162 6.513 ( 6.698 -3.153 12.487) 14.517 6.636 ( 3.554 -5.023 -4.736) 7.764 7.086 ( -5.404 5.252 -10.949) 13.292 7.577 ( -0.104 -5.427 2.073) 5.811 7.853 ( 6.283 4.126 -3.463) 8.276 7.975 ( 5.373 1.407 -7.896) 9.654 8.543 ( -11.475 2.476 -0.931) 11.776 8.980 ( 5.676 -8.284 0.041) 10.042 9.178 ( 2.016 -1.754 -2.642) 3.758 9.411 ( -7.209 1.535 -5.328) 9.094 9.631 ( -5.859 -0.200 -1.288) 6.002 10.068 ( 1.016 -3.431 -5.191) 6.305 10.162 ( -6.850 -1.787 -11.983) 13.918 10.372 ( 3.514 -2.758 -14.293) 14.975 10.719 ( -5.131 -2.238 1.694) 5.848 10.938 ( 4.094 8.073 -10.897) 14.167 11.203 ( -7.375 2.681 -0.279) 7.852 11.574 ( 8.255 4.528 20.333) 22.407 11.849 ( 3.293 1.308 7.098) 7.934 12.164 ( 6.439 -10.157 -2.378) 12.259 12.499 ( -10.907 4.962 -3.639) 12.523 12.699 ( 5.759 -1.990 -2.973) 6.780 13.037 ( -2.018 -0.328 0.594) 2.129 13.339 ( 5.529 4.726 -6.052) 9.462 13.724 ( 0.329 6.634 -6.794) 9.501 14.115 ( -1.395 -7.116 -9.755) 12.154 14.722 ( -3.803 -2.231 -1.363) 4.615 15.379 ( -9.103 -5.623 -5.265) 11.925 15.706 ( -11.045 2.310 7.509) 13.554 15.852 ( 4.585 -1.786 5.937) 7.711 16.257 ( 3.201 0.092 5.369) 6.252 16.557 ( 3.668 -1.181 -4.279) 5.758 16.758 ( -1.261 -1.703 1.524) 2.610 17.038 ( 6.251 8.072 -10.163) 14.406 17.588 ( 0.915 -2.874 -0.785) 3.117 17.893 ( 3.086 -2.583 -1.647) 4.348 18.306 ( -9.968 -0.469 5.627) 11.456 18.367 ( 2.151 -0.648 3.468) 4.132 18.937 ( -0.899 1.042 0.592) 1.499 19.135 ( 3.952 0.431 0.640) 4.027 19.298 ( 6.329 3.966 -3.362) 8.191 19.997 ( 0.877 0.415 0.626) 1.155 20.344 ( -3.106 3.173 1.983) 4.862 20.552 ( 0.794 -3.704 2.526) 4.552 21.148 ( 1.402 1.327 5.856) 6.166 21.211 ( -3.221 0.687 9.024) 9.606 21.512 ( 3.232 -1.769 -1.897) 4.144 21.724 ( -2.980 -0.615 0.285) 3.056 21.932 ( 2.438 0.236 -0.814) 2.581 22.283 ( 1.955 2.993 -10.230) 10.837 26.496 ( 3.261 2.735 0.645) 4.305 26.719 ( 1.349 -0.156 5.128) 5.305 27.174 ( -2.599 -1.252 0.290) 2.899 29.969 ( 1.051 0.561 -2.405) 2.684 30.332 ( -2.158 -1.007 4.204) 4.831 30.618 ( -1.880 -1.526 -6.115) 6.577 36.483 ( -4.775 -1.433 0.351) 4.997 36.822 ( 0.809 -2.352 3.996) 4.707 37.467 ( 9.278 7.321 1.183) 11.877 37.739 ( -5.435 -3.633 0.413) 6.550 38.133 ( -0.892 -1.680 -3.706) 4.165 38.918 ( -13.899 -5.435 2.691) 15.165 39.677 ( 1.528 -2.725 2.303) 3.881 39.986 ( -3.245 7.530 2.593) 8.600 40.287 ( 6.904 -1.666 -3.502) 7.919 40.939 ( -4.563 -4.663 -0.235) 6.528 41.984 ( 8.108 2.315 7.202) 11.089 43.605 ( -13.301 -4.909 4.398) 14.844 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 8.758 -0.890 24.216) 25.767 4.042 ( 13.079 12.774 25.156) 31.098 4.761 ( -3.002 -2.376 -7.308) 8.250 5.068 ( -7.347 -2.856 -5.912) 9.854 5.369 ( -0.960 -1.103 1.870) 2.374 5.639 ( -5.140 1.355 -12.919) 13.970 6.106 ( -1.985 -2.016 0.505) 2.874 6.640 ( 4.569 -0.492 2.026) 5.022 6.726 ( -5.442 -3.356 4.372) 7.745 7.191 ( 6.694 6.896 12.175) 15.511 7.444 ( 2.973 -2.120 -9.976) 10.623 7.897 ( -0.022 1.718 0.531) 1.798 8.034 ( 1.685 -1.554 -1.105) 2.545 8.508 ( -1.549 -1.520 5.844) 6.234 8.977 ( 3.239 -4.583 2.010) 5.962 9.128 ( -0.616 1.547 -7.913) 8.086 9.330 ( -6.898 7.239 7.979) 12.793 9.552 ( -4.387 -2.013 -4.929) 6.899 9.791 ( -2.129 -1.881 -12.450) 12.769 9.954 ( 0.062 -7.801 -5.572) 9.587 10.315 ( 4.001 2.606 -0.699) 4.826 10.722 ( -1.358 0.456 1.594) 2.143 10.851 ( -0.457 2.551 -3.388) 4.266 11.224 ( -0.291 2.003 2.670) 3.350 11.757 ( 0.927 -0.542 0.649) 1.255 12.113 ( 7.960 -4.789 7.297) 11.812 12.294 ( -3.717 -0.266 1.657) 4.078 12.377 ( 0.439 9.157 7.950) 12.134 12.738 ( 3.992 0.730 1.836) 4.454 12.946 ( -3.891 -7.156 -5.966) 10.096 13.248 ( 1.461 3.100 -9.078) 9.703 13.655 ( -0.706 7.426 -3.587) 8.277 13.882 ( -1.730 -7.757 -6.769) 10.440 14.656 ( -3.107 -1.595 -0.039) 3.493 15.263 ( -1.274 -0.478 -1.339) 1.909 15.619 ( -1.860 -0.901 -2.943) 3.597 16.036 ( -1.024 1.700 6.828) 7.110 16.341 ( 0.362 0.952 0.994) 1.423 16.499 ( 1.816 -3.238 -2.338) 4.388 16.811 ( -0.723 -1.489 4.570) 4.861 17.035 ( 3.098 4.851 -1.839) 6.042 17.563 ( 2.193 -2.328 -0.625) 3.258 17.838 ( -1.100 -0.362 -3.812) 3.984 18.258 ( -2.968 -0.462 0.180) 3.010 18.467 ( 0.640 0.232 2.968) 3.045 18.949 ( -0.191 0.349 0.555) 0.683 19.169 ( 2.015 -1.234 0.726) 2.471 19.303 ( 1.398 3.563 -2.939) 4.825 20.028 ( 1.344 0.449 1.013) 1.742 20.287 ( -3.824 -0.920 -1.641) 4.262 20.643 ( 2.650 -1.096 3.735) 4.709 21.201 ( 0.237 1.292 0.067) 1.315 21.336 ( -3.730 1.875 6.226) 7.496 21.532 ( 3.902 -2.174 0.153) 4.470 21.718 ( -1.413 -0.209 1.681) 2.206 21.930 ( 1.645 -0.917 -1.340) 2.311 22.157 ( -0.383 1.918 -5.490) 5.829 26.553 ( 1.396 1.423 1.057) 2.256 26.832 ( 1.991 0.355 5.231) 5.608 27.085 ( -2.798 -1.335 -4.609) 5.555 30.033 ( 2.258 1.181 5.535) 6.094 30.278 ( -2.719 -1.152 -6.017) 6.703 30.539 ( -0.308 -0.553 -0.693) 0.938 36.445 ( -1.968 -0.723 0.075) 2.098 36.878 ( 0.365 -0.709 2.158) 2.301 37.590 ( 7.258 5.448 -1.228) 9.158 37.689 ( -4.765 -3.505 1.979) 6.238 38.055 ( -0.475 -0.832 -2.706) 2.870 38.832 ( -5.516 -2.111 1.080) 6.004 39.695 ( 0.496 -1.129 0.345) 1.281 40.039 ( -0.916 3.409 1.472) 3.825 40.297 ( 2.741 -0.657 -0.669) 2.896 40.877 ( -1.937 -1.953 -0.476) 2.792 42.135 ( 2.920 0.456 2.837) 4.096 43.543 ( -4.631 -1.438 1.034) 4.958 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.308 1.405 53.372) 53.391 2.074 ( 0.101 19.408 50.278) 53.894 3.877 ( 0.259 8.434 93.481) 93.861 4.920 ( 0.017 -1.507 3.887) 4.168 5.112 ( 0.398 -4.195 7.856) 8.914 5.400 ( -0.412 8.805 11.941) 14.842 6.541 ( -0.978 -6.557 -6.095) 9.006 6.642 ( 0.710 1.482 -8.106) 8.271 6.695 ( -0.001 -1.223 -9.809) 9.885 7.380 ( 0.154 -1.795 -12.869) 12.995 7.642 ( -0.339 0.924 -6.172) 6.250 7.948 ( 0.064 -3.500 -14.721) 15.132 8.143 ( -0.250 1.992 -16.600) 16.721 8.799 ( 5.950 -8.743 0.169) 10.577 8.933 ( -6.581 1.259 0.835) 6.752 9.130 ( 0.005 4.184 -3.893) 5.715 9.491 ( 0.557 2.988 0.543) 3.088 9.850 ( 1.003 0.345 -13.321) 13.363 10.031 ( -0.906 -1.055 4.376) 4.591 10.318 ( -1.597 0.387 0.004) 1.643 10.577 ( 0.404 -4.972 24.463) 24.967 10.794 ( 3.892 1.419 13.186) 13.821 10.905 ( -3.868 -1.324 -18.306) 18.757 11.117 ( 0.910 3.964 -16.972) 17.452 11.497 ( 1.126 -0.386 -9.861) 9.932 12.052 ( 10.711 -15.119 -9.025) 20.610 12.214 ( -15.612 -1.652 -10.224) 18.735 12.594 ( 4.115 14.868 -9.250) 17.987 12.752 ( -1.421 -5.846 1.065) 6.110 12.980 ( 2.343 7.849 -0.229) 8.194 13.266 ( 0.203 4.073 1.215) 4.255 13.724 ( 0.439 2.781 -3.706) 4.654 14.213 ( -0.852 -0.115 -0.268) 0.900 14.828 ( -0.946 -0.271 -5.223) 5.314 15.382 ( 1.575 -2.699 26.525) 26.708 15.758 ( -0.904 0.721 -8.113) 8.195 15.890 ( 1.018 -2.523 14.837) 15.084 16.248 ( -0.505 -4.150 -9.431) 10.317 16.459 ( -1.350 -2.288 1.406) 3.006 16.879 ( 1.078 -2.833 -11.481) 11.874 17.120 ( 0.905 6.706 -18.790) 19.971 17.465 ( -1.269 2.631 9.764) 10.192 17.911 ( -1.261 -1.451 -2.244) 2.954 18.237 ( 0.852 -2.136 8.607) 8.909 18.507 ( 0.400 -12.526 10.496) 16.347 18.922 ( 0.369 -1.894 2.774) 3.379 19.055 ( 0.950 1.615 -3.240) 3.742 19.144 ( -2.323 7.062 -3.988) 8.436 20.001 ( -1.697 3.069 -1.083) 3.670 20.130 ( 2.816 6.695 5.690) 9.227 20.622 ( 0.123 -5.001 8.427) 9.800 21.014 ( 0.134 -1.213 16.163) 16.209 21.051 ( -0.354 6.179 -5.959) 8.592 21.601 ( -0.399 -0.136 -7.675) 7.687 21.826 ( 0.541 -0.975 0.685) 1.309 21.880 ( -0.103 -3.790 0.100) 3.792 22.296 ( 0.082 8.765 -7.579) 11.587 26.439 ( 0.088 0.341 -2.968) 2.989 26.631 ( -0.178 0.034 4.002) 4.006 27.123 ( 0.087 -0.388 9.281) 9.289 30.103 ( -0.000 -2.108 -11.936) 12.121 30.294 ( -0.034 -2.253 5.770) 6.194 30.746 ( -0.058 -0.624 -2.748) 2.818 36.577 ( 0.719 -2.684 1.266) 3.053 36.774 ( -1.318 1.354 1.452) 2.383 37.235 ( 0.586 3.023 2.078) 3.714 37.888 ( -0.042 -3.093 -4.046) 5.093 38.218 ( -0.227 -1.343 -0.977) 1.676 39.299 ( 1.098 -20.892 4.170) 21.332 39.599 ( -1.502 -4.735 6.413) 8.112 39.950 ( 4.049 2.876 -5.206) 7.195 40.262 ( -2.970 10.657 -9.764) 14.756 41.091 ( -1.060 -7.633 1.435) 7.839 41.568 ( -0.083 10.727 15.185) 18.591 43.959 ( 0.720 -21.386 0.981) 21.420 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 6.260 3.782 48.565) 49.113 3.020 ( 6.082 17.841 42.999) 46.949 4.939 ( -1.508 -1.123 1.596) 2.466 5.027 ( 0.393 -1.667 24.930) 24.989 5.282 ( 0.300 0.379 14.322) 14.330 5.853 ( 1.451 2.610 33.493) 33.626 6.271 ( -0.303 -8.207 -15.496) 17.538 6.457 ( -0.783 -3.296 -10.924) 11.437 6.597 ( -0.120 8.172 -1.946) 8.401 7.190 ( -1.929 -1.865 -7.987) 8.426 7.578 ( -2.325 -4.148 -3.963) 6.190 7.761 ( 3.457 2.685 -4.301) 6.137 7.898 ( 2.275 7.632 -9.220) 12.183 8.750 ( -3.514 -8.143 -2.386) 9.184 8.885 ( -1.819 -2.666 1.623) 3.613 9.129 ( 2.482 3.083 -2.648) 4.762 9.525 ( -3.066 -0.669 1.753) 3.595 9.692 ( -0.162 0.807 -4.744) 4.815 10.045 ( -0.771 -6.216 -1.671) 6.483 10.221 ( 2.136 1.297 -12.899) 13.139 10.432 ( -9.185 -5.432 -15.419) 18.751 10.736 ( 5.656 -4.482 -3.201) 7.895 10.846 ( 1.143 5.466 -10.842) 12.196 11.308 ( 0.973 1.970 7.537) 7.851 11.453 ( 2.269 7.305 16.344) 18.045 11.922 ( -8.109 -3.890 1.381) 9.099 12.012 ( 4.478 -9.022 -1.193) 10.143 12.576 ( 4.469 12.687 -7.106) 15.213 12.688 ( -4.394 -5.029 -1.338) 6.811 13.013 ( 4.969 11.905 -4.579) 13.689 13.301 ( -2.449 -1.713 -1.039) 3.165 13.676 ( 3.463 3.396 -4.789) 6.816 14.160 ( -2.533 -0.254 -5.885) 6.412 14.766 ( -1.167 -0.155 -1.909) 2.243 15.493 ( -1.832 -2.212 -13.051) 13.364 15.775 ( -0.473 -0.295 -6.409) 6.434 15.881 ( -2.116 -6.304 9.439) 11.546 16.213 ( -1.250 -0.650 11.426) 11.512 16.474 ( 4.135 2.016 -3.292) 5.657 16.803 ( -0.724 0.309 -3.336) 3.427 16.945 ( 2.053 2.553 -0.754) 3.361 17.591 ( -0.922 -1.177 2.100) 2.578 17.834 ( 1.524 -2.686 -3.224) 4.465 18.340 ( 0.277 -0.192 4.277) 4.290 18.532 ( -9.067 -9.428 5.956) 14.372 18.948 ( -0.079 -2.228 0.999) 2.443 19.060 ( 2.922 0.306 0.981) 3.097 19.172 ( 5.120 4.716 0.526) 6.981 19.994 ( -0.450 2.666 -0.583) 2.766 20.328 ( 3.161 4.603 9.146) 10.715 20.618 ( -5.331 -8.697 -1.787) 10.356 21.073 ( 4.273 8.921 1.657) 10.029 21.257 ( -0.514 -3.204 13.115) 13.510 21.480 ( -0.287 2.400 -6.136) 6.595 21.810 ( -4.945 -1.220 1.186) 5.229 21.878 ( 3.324 -0.944 -0.681) 3.522 22.217 ( 3.363 4.359 -8.553) 10.172 26.448 ( 1.474 0.250 2.675) 3.064 26.708 ( -0.016 -0.249 5.069) 5.075 27.208 ( -0.882 -1.458 1.079) 2.017 29.954 ( 0.395 -0.364 -3.519) 3.559 30.370 ( -1.227 -1.083 4.025) 4.345 30.642 ( -0.667 -0.185 -7.878) 7.908 36.578 ( -3.467 -2.361 0.923) 4.295 36.784 ( 1.402 0.289 0.410) 1.489 37.327 ( 4.597 5.079 2.546) 7.309 37.816 ( -2.065 -2.857 -0.805) 3.616 38.151 ( -0.832 -1.185 -4.570) 4.794 39.182 ( -10.075 -16.723 0.611) 19.533 39.653 ( 0.060 -1.205 2.724) 2.979 39.948 ( 7.039 4.565 -4.065) 9.323 40.215 ( -0.523 11.067 -1.505) 11.181 41.023 ( -3.467 -6.328 -1.361) 7.343 41.879 ( 2.475 3.066 13.833) 14.383 43.806 ( -5.774 -12.680 -3.160) 14.286 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 5.027 4.759 37.115) 37.755 3.829 ( 8.197 14.239 32.636) 36.538 4.818 ( -2.354 -1.440 -9.619) 10.007 5.183 ( -4.082 -6.231 0.295) 7.455 5.419 ( -3.707 0.469 2.103) 4.288 5.775 ( -8.222 1.703 -19.635) 21.355 6.123 ( 1.241 -3.075 -4.713) 5.763 6.456 ( 12.597 0.651 -1.554) 12.709 6.796 ( -2.405 -4.709 7.272) 8.991 7.136 ( -0.974 6.519 13.304) 14.847 7.341 ( 5.045 -3.724 -13.478) 14.865 7.920 ( 0.797 2.733 2.687) 3.915 7.994 ( 0.035 2.366 13.507) 13.713 8.607 ( -6.846 -7.711 -0.233) 10.314 8.935 ( 0.701 -3.546 7.044) 7.918 9.103 ( 2.520 0.782 -4.620) 5.321 9.444 ( -3.347 -0.732 -5.378) 6.377 9.599 ( 0.076 -4.625 -11.258) 12.171 9.847 ( -2.110 -2.548 -6.061) 6.905 10.034 ( -8.501 -0.928 -9.104) 12.490 10.258 ( 1.091 3.183 4.486) 5.608 10.680 ( 5.358 -0.468 -7.142) 8.941 10.791 ( 5.019 7.045 -3.964) 9.515 11.316 ( -7.385 -2.548 4.910) 9.227 11.743 ( 3.221 -4.430 3.792) 6.662 11.977 ( 1.824 -2.601 7.218) 7.886 12.206 ( 4.982 3.554 16.983) 18.052 12.526 ( -6.680 9.524 -4.658) 12.531 12.662 ( 3.459 0.443 3.561) 4.984 13.030 ( -0.473 1.153 -4.887) 5.043 13.164 ( 2.251 2.411 -9.744) 10.287 13.657 ( 1.527 3.350 -3.041) 4.775 13.969 ( -6.875 1.496 -8.285) 10.870 14.694 ( -0.746 -0.104 -5.800) 5.848 15.268 ( 0.703 1.437 -9.252) 9.389 15.560 ( 4.875 -0.715 -10.794) 11.865 16.115 ( -4.180 -3.207 11.681) 12.814 16.286 ( 3.705 -1.888 -2.891) 5.065 16.438 ( 2.324 3.840 -2.801) 5.291 16.837 ( 1.607 2.399 4.200) 5.097 17.062 ( -5.623 -5.519 13.602) 15.719 17.518 ( 0.520 -4.925 -4.024) 6.381 17.817 ( 2.835 -0.022 -2.130) 3.546 18.348 ( -2.827 -6.267 0.144) 6.877 18.512 ( -6.536 -0.456 4.398) 7.891 18.950 ( 0.042 -2.336 0.962) 2.526 19.112 ( 3.513 -2.710 2.125) 4.920 19.268 ( 2.288 4.900 2.225) 5.848 20.003 ( 0.800 1.690 0.315) 1.896 20.398 ( -6.782 -2.075 -3.476) 7.898 20.582 ( 3.010 -1.638 7.120) 7.902 21.179 ( 2.405 6.122 -0.127) 6.579 21.342 ( 2.464 1.274 -5.113) 5.817 21.490 ( -0.150 -2.204 8.185) 8.478 21.776 ( -3.187 0.895 -0.035) 3.310 21.902 ( 0.702 -1.124 2.045) 2.437 22.126 ( 2.873 2.862 -7.110) 8.185 26.535 ( 0.644 -1.008 5.280) 5.414 26.802 ( 0.930 -0.031 5.546) 5.624 27.131 ( -1.783 -2.008 -6.226) 6.780 29.996 ( 1.375 1.023 6.186) 6.419 30.331 ( -2.326 -2.479 -6.550) 7.380 30.537 ( 0.340 2.105 -2.935) 3.628 36.514 ( -4.620 -1.168 -1.800) 5.094 36.823 ( 4.483 0.160 -0.382) 4.502 37.447 ( 5.760 5.539 1.630) 8.156 37.796 ( -4.224 -4.273 4.279) 7.376 38.061 ( -0.316 -1.513 -3.715) 4.023 38.974 ( -8.005 -8.834 -5.385) 13.081 39.681 ( 0.654 1.092 0.372) 1.327 39.977 ( 6.194 0.806 -2.517) 6.734 40.284 ( -0.743 11.177 1.760) 11.339 40.926 ( -2.798 -5.264 -2.130) 6.330 42.105 ( 0.313 0.035 9.782) 9.787 43.622 ( -3.028 -8.094 -6.195) 10.633 ======================= Grid point 13 (9/125) ======================= q-point: (-0.56 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( -7.868 3.837 -10.348) 13.554 4.276 ( -8.821 -4.558 2.270) 10.185 4.724 ( 0.520 2.625 1.080) 2.885 4.955 ( 2.005 -1.691 -2.389) 3.548 5.371 ( -0.511 -1.122 -1.089) 1.645 5.587 ( -0.181 -0.790 1.171) 1.424 6.083 ( 0.209 4.195 -3.501) 5.468 6.533 ( 14.333 7.889 -11.174) 19.813 6.693 ( -1.839 -3.704 -0.641) 4.185 7.242 ( 3.836 -5.790 -3.319) 7.697 7.484 ( -2.511 4.452 11.889) 12.941 7.941 ( -3.993 -9.636 5.652) 11.863 8.073 ( -3.310 0.575 4.760) 5.827 8.553 ( -5.360 0.599 -5.720) 7.861 9.022 ( 0.464 -0.388 -0.763) 0.974 9.096 ( 1.281 -8.802 10.699) 13.914 9.232 ( 3.216 -2.129 -13.972) 14.495 9.449 ( 4.779 3.122 -3.263) 6.575 9.835 ( -6.411 1.593 4.998) 8.284 9.969 ( -0.532 9.149 6.097) 11.008 10.392 ( -2.820 -1.433 7.571) 8.205 10.607 ( 9.146 0.580 -8.405) 12.436 10.823 ( 1.114 1.901 0.632) 2.292 11.287 ( -5.502 -6.656 0.901) 8.682 11.781 ( 0.121 -4.458 4.020) 6.004 12.098 ( 5.561 3.049 -0.394) 6.354 12.257 ( -1.772 -0.751 -6.663) 6.935 12.499 ( -7.791 -3.223 -6.550) 10.677 12.800 ( -0.951 2.307 2.749) 3.713 12.931 ( -2.119 7.562 7.134) 10.610 13.193 ( 5.616 4.253 5.207) 8.761 13.646 ( 0.314 -1.521 0.519) 1.637 13.902 ( -3.716 8.561 5.539) 10.853 14.583 ( 3.995 1.778 -7.958) 9.081 15.205 ( 5.739 2.362 -4.373) 7.592 15.483 ( 8.665 1.329 -7.220) 11.357 16.065 ( -1.587 -0.307 -8.178) 8.336 16.319 ( 1.061 -6.016 4.964) 7.872 16.506 ( -0.429 5.239 4.593) 6.980 16.850 ( -2.458 -0.791 -2.353) 3.494 17.161 ( -9.208 -7.724 8.826) 14.911 17.525 ( 6.196 -2.112 2.706) 7.083 17.816 ( 0.247 0.193 2.030) 2.054 18.283 ( -3.749 -5.799 0.691) 6.939 18.500 ( -2.956 0.829 -1.329) 3.345 18.946 ( -0.046 -2.995 0.165) 3.000 19.170 ( 2.109 -2.636 2.603) 4.263 19.341 ( -2.656 0.469 5.281) 5.929 20.034 ( 0.842 0.771 0.615) 1.297 20.274 ( -2.718 -0.476 -2.827) 3.950 20.677 ( -0.844 0.171 1.176) 1.458 21.185 ( 2.912 2.694 -4.878) 6.288 21.245 ( 3.612 0.889 -8.830) 9.582 21.564 ( 0.876 -3.331 1.121) 3.622 21.766 ( -5.607 4.699 0.923) 7.374 21.958 ( -1.295 -0.405 4.426) 4.630 22.105 ( 4.555 -0.092 1.358) 4.754 26.590 ( -2.210 -3.996 3.185) 5.567 26.869 ( -1.539 -0.264 -1.595) 2.232 27.033 ( 2.343 0.090 -0.085) 2.346 30.075 ( -1.856 -1.500 -3.514) 4.247 30.237 ( 1.350 0.494 4.359) 4.590 30.524 ( 1.105 2.871 -1.861) 3.595 36.442 ( -1.533 0.567 -2.381) 2.888 36.832 ( 4.558 0.919 -4.167) 6.243 37.544 ( 5.177 4.272 0.011) 6.712 37.799 ( -8.793 -6.523 5.048) 12.056 38.037 ( 1.434 -0.696 1.971) 2.535 38.778 ( 0.134 -2.472 -8.310) 8.671 39.696 ( 0.325 2.361 -0.235) 2.395 39.972 ( 4.630 -2.926 -3.936) 6.745 40.359 ( -2.502 10.320 1.468) 10.720 40.857 ( 0.033 -2.504 -1.306) 2.824 42.210 ( -4.327 -0.908 4.830) 6.548 43.458 ( 3.778 -5.374 -8.597) 10.819 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -16.770 -9.435 -33.940) 39.015 3.701 ( -28.752 -5.535 -29.211) 41.359 4.813 ( 5.040 1.386 -2.205) 5.673 4.976 ( 2.754 -2.158 -9.731) 10.341 5.331 ( -4.385 -2.631 -5.970) 7.860 5.731 ( 8.387 0.281 1.365) 8.502 6.062 ( 6.899 -5.189 7.843) 11.663 6.565 ( 7.943 18.047 -6.057) 20.627 6.677 ( -4.213 1.955 -3.802) 6.002 7.109 ( -6.133 -6.993 1.051) 9.360 7.543 ( 1.968 0.906 -3.311) 3.957 7.993 ( -6.708 -3.344 2.944) 8.052 8.092 ( -6.427 -1.140 4.296) 7.815 8.385 ( 3.213 -3.327 1.972) 5.028 9.000 ( 4.876 0.592 -5.315) 7.237 9.210 ( -0.513 2.626 3.723) 4.585 9.310 ( 1.413 5.309 11.699) 12.925 9.497 ( 7.009 -1.666 3.119) 7.851 9.989 ( 4.090 1.771 11.959) 12.763 10.138 ( -0.040 5.795 7.107) 9.171 10.461 ( -3.761 -0.481 2.145) 4.356 10.588 ( 7.227 0.350 -0.061) 7.236 10.902 ( 4.229 -1.822 8.238) 9.438 11.200 ( -5.074 -9.778 1.077) 11.068 11.725 ( -5.987 -4.441 -14.296) 16.123 11.948 ( -4.594 1.867 -7.413) 8.918 12.219 ( 2.600 -0.924 -1.500) 3.141 12.328 ( 1.818 0.301 -0.322) 1.870 12.806 ( -3.387 1.697 2.697) 4.650 13.053 ( -5.625 12.046 0.641) 13.310 13.397 ( 1.426 -1.711 7.678) 7.994 13.698 ( 1.101 -5.784 6.935) 9.097 14.118 ( -1.254 10.083 11.863) 15.620 14.589 ( 10.055 6.107 -0.039) 11.764 15.218 ( 7.667 1.185 -3.017) 8.324 15.433 ( 14.721 1.285 -15.808) 21.640 15.924 ( -1.802 3.399 -5.310) 6.557 16.338 ( -5.815 -7.351 3.834) 10.126 16.612 ( -2.150 1.449 6.740) 7.222 16.785 ( -2.842 -1.607 0.588) 3.318 17.155 ( -5.670 -5.427 5.587) 9.634 17.600 ( 1.143 2.334 1.378) 2.942 17.911 ( 0.399 -0.455 6.145) 6.175 18.228 ( -1.528 -5.189 -1.467) 5.605 18.419 ( -2.908 0.354 -4.264) 5.174 18.923 ( 0.385 -3.597 -0.661) 3.677 19.192 ( -1.368 -2.306 0.668) 2.764 19.402 ( -4.814 -4.408 6.933) 9.522 20.025 ( -1.742 1.354 -1.112) 2.471 20.258 ( 3.997 0.119 -1.035) 4.131 20.613 ( -3.958 0.218 -4.372) 5.901 21.058 ( 7.596 1.811 -14.535) 16.500 21.208 ( -0.477 1.202 -0.094) 1.297 21.547 ( 0.309 -0.791 -1.884) 2.066 21.746 ( -5.376 2.711 1.740) 6.268 21.978 ( -2.321 -0.346 0.588) 2.419 22.262 ( 4.149 -1.622 10.310) 11.231 26.567 ( -3.830 -5.737 1.582) 7.077 26.765 ( -3.345 0.087 -4.441) 5.560 27.110 ( 3.968 0.868 0.771) 4.134 29.990 ( -0.977 -2.393 0.345) 2.608 30.305 ( 0.265 2.149 -2.863) 3.589 30.566 ( 3.441 2.901 3.356) 5.615 36.417 ( 1.841 1.820 -1.445) 2.964 36.790 ( 3.926 2.760 -6.120) 7.777 37.582 ( 2.848 -0.056 -2.935) 4.090 37.716 ( -8.515 -4.386 0.775) 9.609 38.116 ( 1.018 0.587 3.714) 3.896 38.701 ( 8.170 -0.259 -3.849) 9.035 39.699 ( -0.498 2.554 -1.489) 2.998 39.902 ( 4.099 -4.797 -5.854) 8.607 40.404 ( -4.311 8.761 1.756) 9.921 40.859 ( 3.521 1.194 -0.376) 3.737 42.172 ( -10.453 -2.002 0.164) 10.644 43.346 ( 12.460 -2.914 -11.304) 17.074 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -23.800 -19.421 -34.470) 46.172 2.815 ( -34.098 -4.932 -35.012) 49.121 4.326 ( -15.378 -7.575 -55.835) 58.407 4.806 ( 5.836 0.311 -6.303) 8.595 5.107 ( -5.420 -0.798 -9.656) 11.102 5.663 ( -7.145 -0.555 -6.754) 9.848 6.333 ( 6.816 5.419 4.534) 9.818 6.497 ( 4.375 -2.638 3.922) 6.441 6.735 ( 1.794 4.741 4.504) 6.781 7.246 ( 6.566 4.081 10.507) 13.045 7.546 ( 4.635 3.488 -0.017) 5.800 7.921 ( 0.039 -4.371 4.531) 6.296 8.244 ( -4.703 -0.667 12.794) 13.647 8.531 ( 3.034 -0.012 9.772) 10.232 8.979 ( 2.948 1.456 -2.744) 4.283 9.209 ( 0.841 -3.064 -2.023) 3.766 9.523 ( 0.098 8.165 6.397) 10.374 9.697 ( 2.308 2.071 13.478) 13.830 10.141 ( -3.032 -2.252 -4.068) 5.551 10.274 ( 0.879 6.339 2.399) 6.835 10.387 ( 10.167 0.275 -4.024) 10.937 10.797 ( 1.836 -0.890 5.273) 5.654 11.014 ( -6.272 -6.846 -3.793) 10.030 11.188 ( 8.729 -7.635 16.960) 20.546 11.408 ( -4.791 1.175 -1.250) 5.089 11.855 ( -4.903 -4.145 0.299) 6.427 12.297 ( 4.053 6.241 4.404) 8.647 12.390 ( 9.702 1.418 -2.106) 10.028 12.866 ( -4.975 3.348 6.144) 8.585 13.042 ( -4.181 8.958 -0.930) 9.930 13.423 ( -4.844 -5.813 2.747) 8.050 13.757 ( 1.753 -0.733 -0.857) 2.085 14.298 ( -1.316 1.872 6.002) 6.423 14.804 ( 1.576 6.344 11.672) 13.378 15.192 ( 11.981 0.687 -26.144) 28.767 15.282 ( 14.545 2.653 -3.749) 15.253 15.904 ( -0.424 5.938 -0.266) 5.959 16.302 ( -5.861 -8.553 5.353) 11.669 16.623 ( -5.641 0.433 -2.577) 6.217 16.851 ( -1.531 -4.160 8.992) 10.025 17.201 ( -0.639 -0.821 4.827) 4.938 17.641 ( -2.368 1.479 3.172) 4.226 17.940 ( -3.537 1.581 -2.148) 4.430 18.096 ( -0.870 -6.981 -7.370) 10.188 18.368 ( -0.827 1.709 -0.320) 1.926 18.904 ( 1.559 -3.749 -0.141) 4.063 19.137 ( -3.020 -2.472 -1.739) 4.273 19.430 ( -6.051 -4.147 5.335) 9.071 20.006 ( -1.571 4.501 -0.931) 4.858 20.274 ( 3.735 -4.358 -0.306) 5.748 20.519 ( -1.819 0.567 -2.614) 3.235 20.893 ( 5.450 2.751 -13.799) 15.089 21.208 ( -2.967 0.799 1.405) 3.378 21.525 ( 1.889 2.249 -1.550) 3.321 21.768 ( -2.705 -0.600 4.301) 5.116 21.947 ( -2.029 -1.309 -0.814) 2.548 22.481 ( 0.467 -1.948 13.913) 14.057 26.537 ( -3.260 -4.835 3.106) 6.606 26.678 ( -4.083 0.382 -1.701) 4.440 27.092 ( 1.780 -0.161 -6.465) 6.708 30.050 ( 2.314 -2.354 3.954) 5.151 30.213 ( 0.230 3.308 -5.506) 6.427 30.673 ( 3.708 2.184 1.638) 4.605 36.444 ( 3.775 1.396 0.018) 4.025 36.749 ( 3.228 5.301 -5.200) 8.097 37.444 ( -4.574 -5.598 -8.106) 10.861 37.684 ( 3.129 2.928 -3.154) 5.320 38.149 ( 1.617 1.338 -1.742) 2.727 38.784 ( 9.251 -2.223 2.692) 9.888 39.636 ( -1.592 -0.323 -5.520) 5.754 39.844 ( 5.531 -1.759 -3.618) 6.839 40.452 ( -4.311 7.344 4.138) 9.468 40.905 ( 4.708 3.293 -1.200) 5.869 42.015 ( -15.514 -4.038 -0.603) 16.042 43.256 ( 19.894 -0.253 -17.653) 26.598 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -29.047 -24.762 -29.953) 48.519 1.828 ( -43.512 -10.316 -28.271) 52.905 2.853 ( -45.857 0.296 -70.430) 84.044 4.786 ( 6.646 0.021 -3.091) 7.329 4.949 ( -0.339 0.877 -5.322) 5.404 5.444 ( -11.026 -0.755 -5.812) 12.487 6.488 ( 6.343 2.579 4.955) 8.452 6.674 ( 6.487 1.291 3.446) 7.458 6.815 ( 1.941 -2.638 4.250) 5.366 7.541 ( 12.746 8.744 -1.776) 15.558 7.626 ( 5.375 0.197 12.811) 13.894 8.090 ( 4.332 -4.220 8.681) 10.580 8.389 ( -2.972 -1.469 9.830) 10.374 8.714 ( -0.007 2.614 4.088) 4.852 8.953 ( 2.183 0.711 -1.386) 2.682 9.226 ( 2.112 -2.890 6.715) 7.610 9.625 ( -5.349 4.423 3.819) 7.922 9.847 ( -1.232 0.676 -8.576) 8.691 10.020 ( 5.691 6.485 0.756) 8.661 10.164 ( -2.276 -5.038 -14.983) 15.970 10.378 ( -4.770 1.643 -1.577) 5.286 10.571 ( -5.673 -5.296 -5.700) 9.629 11.281 ( 2.043 4.686 17.713) 18.436 11.411 ( 0.294 -1.059 7.723) 7.800 11.584 ( 13.169 -8.616 11.006) 19.204 11.890 ( 6.301 -2.496 6.535) 9.415 12.402 ( 5.954 2.598 -3.112) 7.203 12.470 ( 8.571 9.006 -1.152) 12.486 12.910 ( -6.576 -0.801 3.138) 7.330 13.046 ( -5.735 2.500 3.300) 7.073 13.457 ( -3.458 -0.246 8.274) 8.971 13.719 ( 2.360 4.776 -4.455) 6.945 14.331 ( -1.480 -7.382 3.678) 8.379 14.822 ( -1.376 0.099 -15.801) 15.861 15.131 ( 0.660 11.402 14.238) 18.252 15.337 ( 10.825 -1.011 -5.365) 12.123 15.941 ( 2.951 3.277 -1.062) 4.536 16.288 ( -2.017 -6.617 0.554) 6.939 16.467 ( -6.110 -3.223 -7.582) 10.257 16.817 ( 0.689 0.758 -13.930) 13.968 17.308 ( 0.615 3.683 7.078) 8.002 17.620 ( -6.272 -5.537 -2.891) 8.852 17.875 ( 1.612 -3.903 2.385) 4.850 17.993 ( -3.630 -0.354 0.627) 3.701 18.330 ( -1.476 2.818 -6.020) 6.809 18.890 ( -0.050 -1.665 -0.848) 1.869 19.117 ( -0.082 -0.495 2.815) 2.859 19.429 ( -3.966 -3.897 3.373) 6.503 20.003 ( -1.016 5.291 -1.986) 5.742 20.288 ( 1.410 -6.971 3.455) 7.907 20.501 ( -0.622 4.591 0.371) 4.648 20.732 ( 1.426 0.039 -8.474) 8.594 21.228 ( -4.070 1.043 5.116) 6.620 21.545 ( 5.006 1.940 -2.829) 6.068 21.816 ( -1.424 -1.558 3.968) 4.494 21.906 ( -1.643 -1.023 -0.848) 2.113 22.748 ( -3.714 -2.304 21.942) 22.373 26.553 ( -0.742 -2.411 1.978) 3.206 26.646 ( -5.593 0.288 4.812) 7.384 26.938 ( -0.499 -1.168 -11.000) 11.073 29.929 ( 4.832 0.780 -17.749) 18.412 30.348 ( 1.751 0.498 13.209) 13.333 30.691 ( 2.975 1.199 -4.646) 5.646 36.501 ( 4.546 0.345 1.301) 4.741 36.728 ( 1.989 4.845 -4.018) 6.601 37.211 ( -0.068 -0.777 -14.529) 14.550 37.625 ( 6.221 2.356 -12.249) 13.939 38.131 ( 0.642 -0.019 -1.232) 1.389 38.876 ( 6.237 -3.378 -0.523) 7.112 39.521 ( -1.723 -1.170 -4.165) 4.657 39.837 ( 5.828 0.667 -4.049) 7.128 40.560 ( -0.536 4.954 6.976) 8.573 40.920 ( 2.562 2.313 -3.481) 4.902 41.873 ( -18.223 -4.405 8.943) 20.772 43.066 ( 23.038 1.202 -31.756) 39.251 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -37.329 -0.255 2.824) 37.436 1.104 ( -57.480 -0.335 1.249) 57.494 1.430 ( -71.354 0.381 -2.592) 71.402 4.829 ( 7.134 -0.061 -0.295) 7.140 4.915 ( 0.692 0.063 0.471) 0.839 5.282 ( -9.794 0.000 -0.191) 9.796 6.624 ( 6.729 -0.128 0.520) 6.750 6.711 ( 2.671 0.215 -1.171) 2.925 6.880 ( -0.371 -0.062 0.690) 0.786 7.629 ( 14.287 -0.690 -1.672) 14.401 7.980 ( 10.532 4.387 5.704) 12.756 8.077 ( 1.279 -3.965 -5.491) 6.893 8.533 ( -4.338 1.118 10.157) 11.101 8.584 ( -8.484 -0.903 -8.183) 11.822 9.069 ( 10.696 -0.078 -0.549) 10.710 9.365 ( -1.890 -0.270 1.210) 2.260 9.566 ( 0.403 0.166 -3.963) 3.987 9.675 ( -4.908 0.715 0.573) 4.993 9.973 ( -2.668 -0.821 0.533) 2.842 10.113 ( 4.371 0.168 0.700) 4.430 10.352 ( -7.135 0.893 2.213) 7.523 10.402 ( -7.043 -0.723 -1.686) 7.278 11.439 ( 3.199 -0.969 -5.180) 6.165 11.529 ( 5.881 0.812 1.826) 6.212 11.771 ( -2.749 0.732 2.561) 3.828 12.125 ( 20.641 -0.718 5.828) 21.460 12.363 ( 10.245 -1.415 -9.796) 14.245 12.593 ( 3.667 2.731 3.015) 5.477 12.860 ( -4.159 -1.703 1.347) 4.692 13.030 ( -14.320 0.526 0.179) 14.331 13.511 ( 3.859 -1.275 0.421) 4.086 13.812 ( 4.222 1.943 2.578) 5.315 14.364 ( -0.770 -0.759 1.539) 1.881 14.683 ( -4.342 0.128 1.374) 4.556 15.184 ( 9.207 0.868 -10.148) 13.729 15.571 ( -0.077 -1.911 2.118) 2.854 15.841 ( 3.135 0.845 1.651) 3.643 16.205 ( -3.154 1.097 1.622) 3.713 16.311 ( -3.703 -1.257 -0.563) 3.950 16.526 ( -11.782 0.309 0.609) 11.801 17.400 ( -2.125 -0.502 -4.908) 5.371 17.514 ( -1.190 0.619 6.296) 6.437 17.929 ( 1.937 -1.067 0.087) 2.213 18.018 ( -2.719 1.051 1.910) 3.485 18.193 ( -2.134 -0.119 -4.458) 4.944 18.872 ( -0.895 0.031 0.198) 0.917 19.171 ( 0.849 -0.045 0.953) 1.276 19.422 ( -0.495 -0.057 -1.683) 1.755 19.973 ( 0.085 0.035 -1.884) 1.886 20.334 ( 2.975 -0.092 0.088) 2.978 20.535 ( 1.582 0.280 0.775) 1.783 20.710 ( 0.590 -0.210 1.494) 1.620 21.306 ( -2.107 0.133 0.416) 2.151 21.513 ( 1.990 -0.016 -0.154) 1.996 21.841 ( -0.805 0.171 0.056) 0.825 21.882 ( -1.361 -0.181 0.345) 1.416 23.092 ( 5.170 -0.050 0.720) 5.220 26.538 ( -1.501 -0.037 0.072) 1.504 26.721 ( -1.010 1.293 -10.508) 10.635 26.759 ( -3.289 -1.245 9.938) 10.541 29.671 ( -2.179 -0.000 -0.278) 2.197 30.570 ( 3.123 0.024 -0.913) 3.254 30.599 ( 0.855 -0.025 0.835) 1.195 36.567 ( 5.978 0.057 -0.806) 6.033 36.720 ( 2.945 -0.081 -0.575) 3.001 36.927 ( -7.077 0.017 0.776) 7.120 37.472 ( -2.914 -0.001 0.294) 2.929 38.128 ( -0.400 0.023 0.292) 0.496 38.855 ( -0.710 -0.046 1.109) 1.318 39.466 ( -1.417 0.007 -0.281) 1.444 39.844 ( 3.417 0.045 1.354) 3.676 40.663 ( 5.344 -0.056 -3.171) 6.214 40.878 ( -0.880 0.062 -0.917) 1.272 41.965 ( -5.133 0.034 -2.492) 5.706 42.688 ( 0.717 -0.058 4.354) 4.413 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -8.489 5.546 49.722) 50.745 2.999 ( -4.362 16.971 41.808) 45.332 4.943 ( 1.397 -0.750 -0.167) 1.594 5.021 ( 0.057 -2.701 27.724) 27.855 5.259 ( 1.019 -1.867 14.314) 14.471 5.849 ( -0.857 1.610 32.026) 32.078 6.255 ( 1.388 -8.966 -23.451) 25.145 6.502 ( -1.652 0.494 0.258) 1.744 6.617 ( -2.439 11.447 -3.756) 12.292 7.136 ( 5.401 -7.286 -9.790) 13.345 7.667 ( 0.285 0.990 3.985) 4.116 7.716 ( -3.683 1.595 -12.466) 13.096 7.903 ( -2.771 8.178 -8.168) 11.886 8.653 ( 7.094 -12.951 0.507) 14.775 9.016 ( -2.403 2.706 -0.052) 3.619 9.122 ( -3.664 5.290 -3.701) 7.423 9.496 ( 4.938 -3.841 -0.216) 6.260 9.677 ( 1.334 -1.329 -3.684) 4.137 10.080 ( -1.139 -3.444 -0.927) 3.744 10.188 ( 0.246 -0.346 -14.455) 14.461 10.493 ( 7.401 -0.383 -15.689) 17.351 10.693 ( -6.240 -4.940 -5.631) 9.750 10.844 ( -0.009 1.481 -8.469) 8.598 11.242 ( 2.854 -3.832 11.340) 12.305 11.466 ( -2.619 7.226 13.912) 15.893 11.846 ( 3.688 -6.295 4.088) 8.363 12.211 ( -7.215 0.093 -2.716) 7.710 12.487 ( 1.871 10.847 -8.253) 13.757 12.706 ( 1.429 -4.072 -2.302) 4.891 12.978 ( -2.943 8.655 -3.497) 9.788 13.321 ( 1.708 0.228 0.886) 1.937 13.648 ( -1.543 -0.038 -6.355) 6.540 14.188 ( 0.490 3.227 -5.618) 6.497 14.763 ( 1.274 -0.530 -2.565) 2.913 15.503 ( 1.106 -0.514 -13.508) 13.563 15.780 ( 6.250 -12.755 7.789) 16.199 15.820 ( -1.268 2.072 -3.539) 4.293 16.274 ( 0.308 1.864 11.719) 11.870 16.470 ( -5.485 2.997 -3.571) 7.199 16.803 ( -0.107 1.076 -6.511) 6.600 16.924 ( 0.126 -0.485 2.610) 2.658 17.604 ( -0.140 0.451 2.263) 2.311 17.857 ( -3.133 0.210 -5.094) 5.984 18.345 ( -0.312 -0.037 4.331) 4.343 18.508 ( 10.141 -11.690 6.667) 16.851 18.942 ( 0.750 -3.123 2.306) 3.954 19.075 ( -3.425 1.305 1.659) 4.023 19.170 ( -5.249 4.951 -2.249) 7.558 19.999 ( 0.328 3.055 -0.912) 3.205 20.299 ( -1.191 1.042 9.650) 9.779 20.643 ( 3.728 -6.035 0.696) 7.128 21.063 ( -4.002 8.604 -0.313) 9.494 21.244 ( 1.479 -4.520 11.984) 12.894 21.500 ( -1.145 4.460 -4.893) 6.719 21.796 ( 4.669 -2.703 0.665) 5.436 21.892 ( -2.965 0.355 0.405) 3.014 22.208 ( -2.772 3.378 -8.742) 9.773 26.444 ( -1.181 -0.226 2.650) 2.910 26.712 ( -0.283 0.242 5.032) 5.046 27.207 ( 0.956 -1.588 1.133) 2.173 29.955 ( -0.413 -0.337 -3.513) 3.553 30.368 ( 1.327 -1.250 3.849) 4.259 30.644 ( 0.493 0.111 -7.782) 7.799 36.561 ( 3.923 -3.784 1.088) 5.558 36.815 ( -2.584 3.142 -0.064) 4.069 37.312 ( -3.750 3.430 2.821) 5.813 37.817 ( 1.982 -2.687 -0.866) 3.449 38.157 ( 0.407 -0.469 -4.725) 4.766 39.166 ( 10.891 -18.202 1.300) 21.252 39.697 ( -1.295 1.184 3.150) 3.606 39.872 ( -3.064 0.071 -2.719) 4.098 40.247 ( -1.937 12.622 -3.560) 13.257 41.038 ( 2.552 -4.608 -1.836) 5.578 41.890 ( -3.261 4.468 13.595) 14.677 43.792 ( 6.735 -14.385 -2.624) 16.099 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( -2.700 9.778 42.026) 43.233 3.729 ( 2.244 12.429 33.203) 35.524 4.842 ( -0.042 -1.207 -9.609) 9.684 5.221 ( 0.288 -6.744 4.965) 8.379 5.480 ( -1.716 0.322 4.442) 4.773 5.823 ( 7.191 1.048 -18.765) 20.123 6.155 ( -9.719 -3.076 -12.289) 15.967 6.263 ( 6.320 -0.669 -2.271) 6.749 6.847 ( -2.955 -5.482 11.429) 13.016 7.094 ( 5.029 1.609 0.124) 5.281 7.365 ( -5.582 1.599 -7.360) 9.375 7.870 ( 2.155 2.961 7.433) 8.286 8.033 ( -2.341 8.011 15.044) 17.204 8.670 ( 1.836 -12.047 3.745) 12.749 8.971 ( -3.808 0.007 0.934) 3.920 9.070 ( 0.145 1.805 -1.939) 2.653 9.427 ( 4.791 -14.142 -15.352) 21.416 9.563 ( 1.631 -4.210 -7.147) 8.454 9.908 ( -3.628 2.435 -5.570) 7.080 10.100 ( 3.158 1.340 -0.005) 3.431 10.345 ( -6.977 3.475 -5.469) 9.521 10.559 ( 3.937 -0.574 -6.931) 7.991 10.734 ( -0.047 5.935 -2.212) 6.335 11.396 ( 2.282 -7.122 8.175) 11.080 11.641 ( 2.110 -1.679 -0.063) 2.697 12.041 ( -3.288 -1.693 14.409) 14.876 12.210 ( -6.670 2.431 13.499) 15.252 12.495 ( 6.996 12.799 -4.230) 15.187 12.665 ( -0.866 1.250 0.063) 1.522 12.945 ( 2.134 6.707 -4.258) 8.226 13.238 ( -4.275 -2.862 -8.704) 10.111 13.580 ( 5.540 -0.544 -2.766) 6.216 14.092 ( -3.531 9.017 -7.549) 12.278 14.691 ( 0.438 0.323 -7.469) 7.489 15.256 ( -0.267 2.783 -14.964) 15.223 15.521 ( -1.356 0.610 -12.267) 12.357 16.090 ( 4.627 -10.144 15.187) 18.841 16.286 ( -2.221 -0.156 -10.411) 10.646 16.437 ( -1.341 4.156 1.823) 4.733 16.779 ( 2.041 2.352 6.548) 7.251 17.143 ( -0.698 -6.712 15.790) 17.172 17.555 ( -2.717 -3.950 -5.496) 7.293 17.769 ( 0.654 0.434 -1.377) 1.585 18.366 ( 0.076 -5.872 1.279) 6.010 18.599 ( 1.363 -5.760 2.334) 6.362 18.966 ( -1.591 -2.901 2.322) 4.042 19.058 ( 0.209 -2.690 0.976) 2.869 19.229 ( 1.213 5.042 6.126) 8.026 20.000 ( -0.337 2.504 -0.435) 2.564 20.445 ( 3.111 -4.090 2.037) 5.528 20.607 ( -5.357 -0.881 3.441) 6.428 21.113 ( 2.855 9.700 -1.502) 10.223 21.310 ( 0.345 -1.262 -3.384) 3.629 21.503 ( -0.816 -0.609 4.576) 4.688 21.798 ( 0.959 0.064 -1.040) 1.416 21.919 ( -1.577 0.263 4.265) 4.555 22.083 ( 0.616 2.741 -6.502) 7.083 26.525 ( 0.301 -2.190 7.299) 7.627 26.797 ( -0.310 -0.044 5.102) 5.112 27.149 ( 0.068 -2.288 -6.592) 6.978 29.983 ( -0.038 1.025 6.332) 6.415 30.353 ( 0.271 -3.702 -6.443) 7.436 30.535 ( -0.271 3.813 -4.160) 5.650 36.566 ( 1.245 -2.897 -2.288) 3.896 36.779 ( -2.078 2.819 -2.026) 4.046 37.379 ( 1.015 4.246 3.390) 5.527 37.836 ( 0.064 -4.165 4.672) 6.259 38.069 ( -0.356 -1.319 -4.361) 4.570 39.067 ( 0.314 -14.314 -7.857) 16.332 39.691 ( -2.098 4.991 -1.680) 5.668 39.873 ( 2.675 0.736 0.837) 2.898 40.293 ( 0.051 13.062 0.390) 13.068 40.968 ( -0.963 -5.169 -3.272) 6.193 42.109 ( -0.413 0.347 11.782) 11.794 43.647 ( 0.527 -11.536 -8.632) 14.418 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( -0.429 3.260 -2.495) 4.128 4.359 ( -2.247 6.445 30.281) 31.041 4.731 ( -0.811 1.685 1.651) 2.494 5.019 ( -5.462 -5.700 -17.048) 18.787 5.385 ( -1.468 -6.333 -5.141) 8.288 5.653 ( -6.721 5.295 -8.778) 12.258 6.049 ( 8.949 6.901 2.775) 11.636 6.219 ( 10.642 3.243 -15.694) 19.238 6.760 ( -4.673 -5.133 -1.685) 7.143 7.127 ( 5.042 -5.456 -1.564) 7.592 7.515 ( -0.556 3.876 15.681) 16.162 8.010 ( -1.508 -6.199 7.170) 9.597 8.161 ( -5.589 -1.448 4.298) 7.197 8.673 ( -4.722 -1.429 0.564) 4.966 8.945 ( 6.381 -7.073 -11.439) 14.886 9.082 ( 1.865 -8.680 0.325) 8.884 9.172 ( 0.366 -1.228 5.464) 5.612 9.433 ( -2.750 0.996 -6.051) 6.721 9.921 ( 5.046 4.826 1.525) 7.146 10.009 ( -7.504 6.884 -5.190) 11.430 10.338 ( 4.644 0.113 -0.257) 4.652 10.547 ( -2.317 4.568 3.893) 6.434 10.793 ( 1.825 0.224 3.466) 3.924 11.403 ( -5.649 -6.166 -1.323) 8.467 11.699 ( 7.171 -7.086 6.521) 12.007 12.116 ( -6.009 5.623 -1.827) 8.431 12.261 ( 0.184 -3.659 -3.967) 5.400 12.614 ( -0.837 -3.748 -3.964) 5.519 12.765 ( 2.113 9.606 9.210) 13.474 12.946 ( 1.096 1.191 4.542) 4.822 13.134 ( -1.026 10.495 3.077) 10.985 13.617 ( 4.003 0.441 1.327) 4.240 14.017 ( -7.090 12.644 0.290) 14.499 14.523 ( 1.550 2.820 -13.574) 13.951 15.052 ( 6.502 4.687 -13.312) 15.539 15.394 ( 0.956 0.425 -4.864) 4.975 16.062 ( 1.357 0.790 -11.931) 12.034 16.312 ( 0.189 -9.352 13.636) 16.536 16.524 ( -0.669 0.343 6.907) 6.948 16.873 ( 0.054 -1.169 -0.012) 1.170 17.321 ( -3.068 -5.987 9.133) 11.344 17.413 ( 0.629 -5.204 -1.501) 5.452 17.813 ( 0.301 0.318 4.554) 4.575 18.335 ( -1.245 -8.134 0.837) 8.271 18.568 ( -2.308 -1.178 -2.531) 3.622 18.961 ( -2.062 -4.079 1.481) 4.804 19.103 ( 4.112 -4.127 3.485) 6.789 19.387 ( -1.615 2.701 8.686) 9.239 20.015 ( 0.516 1.729 0.835) 1.988 20.358 ( -4.174 -2.752 -4.815) 6.941 20.682 ( -0.153 -0.854 4.278) 4.365 21.091 ( 4.655 7.456 -12.457) 15.246 21.224 ( -0.269 2.808 -4.532) 5.338 21.535 ( 1.487 -6.202 0.944) 6.447 21.852 ( -1.535 4.771 4.499) 6.735 21.977 ( 1.187 -2.041 4.567) 5.141 22.034 ( -0.582 2.972 -1.370) 3.324 26.627 ( -1.295 -5.631 6.194) 8.470 26.883 ( 0.052 0.509 4.249) 4.279 27.005 ( 0.479 -1.355 -6.999) 7.145 30.097 ( -0.476 -1.540 -0.483) 1.682 30.226 ( -0.000 -0.284 2.012) 2.032 30.504 ( 0.718 4.564 -3.956) 6.082 36.484 ( -1.745 -0.065 -4.687) 5.002 36.746 ( 2.751 1.813 -4.358) 5.463 37.469 ( 2.473 4.329 1.604) 5.237 37.926 ( -3.581 -7.157 9.542) 12.454 38.006 ( 1.213 -1.757 -0.928) 2.328 38.805 ( -2.040 -5.611 -13.170) 14.460 39.687 ( 0.438 3.945 -1.135) 4.128 39.899 ( 2.167 -0.251 -1.499) 2.647 40.375 ( 0.718 12.669 -0.094) 12.689 40.873 ( -1.351 -4.157 -2.871) 5.230 42.274 ( -1.592 -1.202 8.688) 8.914 43.409 ( 1.074 -9.657 -12.544) 15.867 ======================= Grid point 22 (17/125) ======================= q-point: (-0.56 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -10.596 -11.607 -27.122) 31.347 4.279 ( -28.434 -1.907 -19.899) 34.758 4.721 ( 3.416 1.163 -4.163) 5.510 4.947 ( -0.921 -0.259 -0.422) 1.046 5.392 ( 0.530 -5.710 -2.194) 6.140 5.544 ( 9.231 0.716 5.971) 11.018 5.988 ( 1.328 -0.863 -7.785) 7.944 6.336 ( 12.275 17.327 3.967) 21.602 6.733 ( -0.691 0.961 -1.948) 2.279 7.138 ( 3.526 -4.786 2.126) 6.313 7.579 ( -5.037 -2.622 -7.096) 9.088 8.041 ( 0.781 -5.910 -0.332) 5.971 8.234 ( -7.748 -4.506 11.296) 14.420 8.459 ( -9.167 1.892 -3.863) 10.126 8.852 ( 9.027 -3.176 -4.474) 10.564 9.125 ( 8.155 -0.204 -4.426) 9.281 9.307 ( 1.529 5.833 8.813) 10.679 9.466 ( -5.450 -0.973 14.263) 15.300 9.966 ( 0.431 6.582 1.876) 6.858 10.082 ( 5.589 2.569 4.681) 7.730 10.374 ( 6.256 2.480 0.035) 6.730 10.622 ( -6.916 -2.209 5.338) 9.011 10.848 ( 2.644 -0.378 1.981) 3.325 11.308 ( -5.476 -10.623 4.764) 12.865 11.758 ( 2.011 -3.056 -7.648) 8.478 12.010 ( -2.666 3.635 -4.237) 6.187 12.162 ( 0.756 -6.449 -2.442) 6.938 12.400 ( -5.477 -1.104 -8.679) 10.322 12.824 ( 0.584 4.106 -2.601) 4.895 13.199 ( -4.968 11.562 7.130) 14.464 13.304 ( 4.291 6.273 8.237) 11.207 13.715 ( -1.678 0.109 8.997) 9.153 14.148 ( -1.639 8.844 8.260) 12.212 14.383 ( 8.771 8.420 -5.734) 13.443 14.977 ( 14.475 4.142 -11.893) 19.186 15.306 ( -0.294 -1.579 -6.592) 6.785 15.923 ( 1.509 2.839 -6.746) 7.473 16.458 ( -5.478 -9.215 10.335) 14.891 16.638 ( -0.316 -3.219 8.099) 8.721 16.839 ( -2.642 -2.286 2.246) 4.153 17.246 ( -2.868 -2.407 -3.133) 4.882 17.530 ( 4.553 -1.092 4.803) 6.707 17.926 ( -1.584 -2.956 10.013) 10.559 18.282 ( -2.424 -7.848 -0.532) 8.231 18.475 ( -2.644 0.192 -4.388) 5.127 18.929 ( -1.223 -5.079 -0.319) 5.234 19.176 ( 2.781 -4.412 2.713) 5.879 19.499 ( -4.991 -2.431 7.771) 9.551 20.043 ( 0.277 1.903 -0.092) 1.925 20.232 ( -1.658 0.413 -4.950) 5.237 20.672 ( -1.066 -1.460 -4.054) 4.439 20.919 ( 5.207 5.425 -14.480) 16.316 21.205 ( 0.483 4.234 -0.520) 4.293 21.529 ( 1.092 -4.936 0.568) 5.087 21.864 ( -4.965 3.094 -0.411) 5.865 22.027 ( -2.665 0.773 0.335) 2.795 22.150 ( 5.778 -0.455 10.891) 12.337 26.631 ( -2.543 -7.515 1.461) 8.067 26.845 ( -4.714 -0.130 -2.164) 5.188 27.023 ( 4.817 0.354 1.594) 5.086 30.003 ( -0.354 -4.159 -1.802) 4.546 30.326 ( -2.313 3.467 0.237) 4.174 30.489 ( 4.297 4.080 -0.039) 5.925 36.407 ( -0.440 2.210 -3.284) 3.983 36.698 ( 4.637 2.570 -6.561) 8.435 37.511 ( 2.976 3.318 -2.925) 5.332 37.896 ( -7.595 -6.560 0.650) 10.057 38.093 ( 1.292 -4.115 5.765) 7.200 38.601 ( 2.229 -1.009 -5.720) 6.222 39.692 ( 1.118 1.630 -1.463) 2.460 39.852 ( 0.895 -0.193 -5.235) 5.315 40.443 ( 0.334 12.160 -0.652) 12.182 40.813 ( 0.960 -1.819 -1.673) 2.651 42.350 ( -6.647 -1.550 5.224) 8.595 43.153 ( 6.554 -8.383 -15.141) 18.506 ======================= Grid point 23 (18/125) ======================= q-point: (-0.44 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -18.726 -20.866 -29.817) 40.928 3.542 ( -38.961 -5.962 -23.401) 45.838 4.522 ( -4.061 -4.762 -27.232) 27.942 4.713 ( 2.683 -0.550 -11.593) 11.912 5.282 ( -10.614 -1.720 -4.514) 11.662 5.740 ( -1.305 0.540 3.693) 3.954 6.083 ( 16.354 -1.360 7.187) 17.916 6.513 ( -1.686 8.753 -10.357) 13.665 6.672 ( 3.582 6.703 5.497) 9.380 7.183 ( -0.841 2.964 -4.492) 5.447 7.409 ( 8.141 -0.490 -0.135) 8.157 7.928 ( -0.546 -3.290 -1.142) 3.525 8.350 ( -6.114 -1.375 10.325) 12.077 8.552 ( -2.767 -2.200 13.522) 13.977 8.849 ( 8.408 -1.197 -4.288) 9.514 9.153 ( 4.296 1.438 0.779) 4.597 9.496 ( 3.266 5.179 5.554) 8.267 9.707 ( -3.679 4.710 16.535) 17.582 10.130 ( 11.027 4.229 3.085) 12.206 10.158 ( 1.239 -2.603 -1.905) 3.455 10.350 ( -4.120 1.949 -5.644) 7.254 10.708 ( 5.236 -1.359 11.343) 12.567 10.942 ( 7.286 -2.717 1.522) 7.924 11.297 ( -12.145 -9.991 6.575) 17.045 11.518 ( -5.253 -1.964 -5.771) 8.047 11.941 ( -2.629 -3.534 -3.287) 5.496 12.179 ( 5.169 2.550 0.757) 5.813 12.276 ( 2.426 0.593 -2.729) 3.699 12.856 ( 4.743 4.219 0.652) 6.381 13.202 ( -9.286 13.495 -2.815) 16.622 13.449 ( 2.096 -0.776 3.489) 4.143 13.790 ( -6.474 3.299 0.269) 7.271 14.265 ( 5.326 3.783 3.567) 7.443 14.668 ( 9.755 8.866 13.549) 18.903 14.920 ( 13.961 -0.186 -12.964) 19.053 15.178 ( -1.209 -0.202 -3.480) 3.689 15.885 ( 1.810 5.355 -3.167) 6.479 16.434 ( -6.654 -10.561 2.662) 12.763 16.712 ( -2.847 -1.670 0.933) 3.430 16.912 ( -5.101 -3.659 10.097) 11.890 17.206 ( 0.294 1.013 0.845) 1.352 17.631 ( 2.574 -0.284 5.446) 6.030 18.014 ( -3.119 -6.032 0.933) 6.855 18.155 ( -3.715 -6.890 -3.424) 8.544 18.407 ( -2.689 1.896 -1.031) 3.448 18.884 ( 0.186 -4.268 -0.576) 4.311 19.174 ( -0.473 -4.023 -1.200) 4.225 19.527 ( -4.237 -6.504 3.527) 8.526 20.031 ( -0.786 5.455 -2.668) 6.123 20.182 ( 3.998 -0.022 -2.279) 4.602 20.571 ( -1.946 -0.340 -3.576) 4.086 20.785 ( 4.600 5.139 -10.577) 12.628 21.239 ( -0.629 3.121 1.446) 3.497 21.509 ( -0.072 -2.144 -0.957) 2.349 21.836 ( -3.355 -0.480 1.534) 3.720 21.996 ( -3.110 0.326 -0.782) 3.223 22.414 ( 5.223 -0.705 13.873) 14.840 26.584 ( -1.591 -5.700 0.613) 5.950 26.785 ( -6.346 -0.234 1.376) 6.497 27.047 ( 2.853 -0.771 -3.620) 4.673 30.013 ( 1.425 -3.923 2.464) 4.847 30.232 ( -1.757 3.757 -6.099) 7.376 30.592 ( 4.382 3.343 1.455) 5.701 36.392 ( 1.583 2.173 -0.839) 2.816 36.658 ( 5.364 5.481 -5.980) 9.725 37.432 ( 2.958 0.985 -11.895) 12.297 37.774 ( -8.929 -5.158 -0.533) 10.326 38.117 ( 1.857 -0.591 -1.412) 2.407 38.666 ( 3.606 -4.110 8.660) 10.241 39.650 ( 0.499 -2.264 -4.682) 5.225 39.774 ( 1.353 2.891 -4.845) 5.802 40.497 ( -0.525 9.935 0.029) 9.949 40.817 ( 4.060 1.241 -0.815) 4.323 42.299 ( -13.059 -3.249 1.989) 13.603 42.940 ( 12.732 -5.636 -16.293) 21.432 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -23.923 -22.889 -28.543) 43.714 2.749 ( -48.407 -12.139 -10.200) 50.938 3.707 ( -38.201 4.447 -39.403) 55.061 4.651 ( 6.583 -0.610 -3.617) 7.536 5.026 ( -8.935 0.789 -8.306) 12.225 5.657 ( -10.317 0.498 -4.454) 11.248 6.378 ( 8.396 -0.966 6.264) 10.519 6.460 ( 11.429 2.119 4.710) 12.542 6.779 ( 1.870 -1.101 -0.948) 2.368 7.217 ( 17.892 5.509 -5.560) 19.529 7.553 ( 3.233 8.897 5.529) 10.963 8.013 ( 3.882 -6.909 8.497) 11.619 8.444 ( -2.543 -0.848 7.723) 8.174 8.745 ( 0.046 -0.545 10.061) 10.076 8.853 ( 5.593 -1.092 -3.179) 6.525 9.211 ( -1.211 -2.598 5.299) 6.025 9.649 ( 3.426 7.033 3.450) 8.550 9.880 ( 0.713 2.563 -16.398) 16.612 9.975 ( -4.366 5.227 9.141) 11.399 10.172 ( 0.817 -5.872 -7.793) 9.791 10.413 ( 3.633 5.972 4.779) 8.468 10.726 ( -9.185 -7.091 -3.805) 12.212 11.123 ( 12.039 -2.664 11.236) 16.682 11.352 ( 2.506 2.531 10.718) 11.294 11.474 ( -2.315 -7.049 1.778) 7.630 11.863 ( 0.063 -4.700 2.029) 5.120 12.231 ( 7.297 6.856 -7.810) 12.698 12.346 ( 6.216 0.020 4.872) 7.897 12.937 ( 6.511 0.559 -1.798) 6.777 13.140 ( -5.133 8.591 -0.425) 10.017 13.523 ( -3.934 -4.871 4.665) 7.808 13.709 ( -2.723 14.672 -4.981) 15.732 14.346 ( 0.439 -6.100 3.635) 7.114 14.770 ( 5.256 0.637 -10.756) 11.989 14.994 ( 10.775 4.161 2.528) 11.824 15.280 ( -1.420 3.550 15.891) 16.344 15.875 ( 2.587 3.180 -4.767) 6.287 16.349 ( -3.725 -7.781 -0.856) 8.669 16.597 ( -6.276 -3.307 -6.189) 9.414 16.899 ( -7.236 0.371 -3.339) 7.977 17.295 ( 0.577 3.701 6.414) 7.428 17.743 ( -4.924 -6.528 -1.053) 8.245 17.845 ( 1.106 -8.734 2.713) 9.212 18.084 ( -5.077 -0.626 -0.483) 5.139 18.369 ( -2.499 3.525 -3.913) 5.830 18.880 ( 0.702 -1.899 1.259) 2.384 19.129 ( -0.906 -1.389 0.081) 1.661 19.477 ( -1.187 -5.863 -1.058) 6.075 20.013 ( -0.152 5.319 -3.067) 6.142 20.209 ( 4.836 -2.831 0.705) 5.648 20.509 ( 0.552 3.982 -4.694) 6.180 20.710 ( 0.498 2.069 -3.112) 3.770 21.281 ( -1.323 1.575 3.759) 4.285 21.489 ( 0.897 -0.095 -1.272) 1.559 21.840 ( -0.711 -2.325 1.775) 3.010 21.957 ( -3.407 0.592 -0.145) 3.461 22.713 ( 5.074 -0.986 15.469) 16.309 26.568 ( -0.695 -2.900 1.351) 3.274 26.767 ( -6.110 0.669 3.651) 7.148 26.951 ( -0.887 -2.133 -7.133) 7.498 29.904 ( -1.123 -0.272 -11.917) 11.973 30.304 ( 2.755 -0.373 10.328) 10.695 30.625 ( 3.538 2.441 -4.091) 5.934 36.421 ( 3.482 0.327 0.153) 3.501 36.656 ( 4.660 6.747 -4.585) 9.395 37.205 ( 0.532 -0.188 -14.534) 14.545 37.660 ( -7.003 -2.598 -1.692) 7.659 38.118 ( 0.970 -0.051 0.369) 1.039 38.815 ( 1.526 -4.791 6.936) 8.567 39.555 ( -1.363 -1.795 -3.163) 3.884 39.739 ( 3.956 2.633 -4.447) 6.508 40.548 ( 1.174 5.443 0.385) 5.581 40.856 ( 4.098 2.249 -1.177) 4.820 42.176 ( -13.341 -4.037 2.851) 14.227 42.760 ( 10.557 -2.032 -15.720) 19.044 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -31.777 -0.074 2.662) 31.888 2.178 ( -52.948 0.072 0.159) 52.949 2.754 ( -63.994 -0.118 -0.705) 63.998 4.688 ( 7.104 -0.076 0.185) 7.107 4.912 ( -1.044 0.058 -0.436) 1.133 5.497 ( -11.978 -0.016 -0.407) 11.985 6.488 ( 6.863 -0.497 1.210) 6.986 6.636 ( 5.711 1.301 -2.133) 6.233 6.827 ( 5.930 -0.566 2.540) 6.476 7.287 ( 19.208 -3.307 -4.065) 19.910 7.773 ( 9.390 12.234 1.968) 15.547 8.051 ( 2.055 -10.705 -1.437) 10.995 8.579 ( 0.392 4.260 5.389) 6.881 8.727 ( -2.715 -1.495 -7.100) 7.747 8.921 ( 1.820 -2.363 4.485) 5.386 9.333 ( 3.730 -3.152 7.071) 8.593 9.540 ( 1.057 5.406 -15.121) 16.094 9.765 ( -2.454 3.946 0.074) 4.647 10.005 ( 1.096 -7.911 -0.639) 8.012 10.119 ( -7.164 2.293 7.084) 10.333 10.481 ( -4.384 0.664 -2.504) 5.092 10.576 ( -10.414 0.079 4.257) 11.251 11.273 ( 12.389 1.623 -9.248) 15.545 11.443 ( 6.159 -7.180 0.191) 9.462 11.673 ( 7.940 7.578 13.716) 17.567 11.929 ( 1.621 -2.234 0.352) 2.783 12.149 ( 9.123 -1.120 -9.188) 12.997 12.500 ( 6.065 4.195 2.014) 7.645 12.909 ( 1.649 -4.725 -0.269) 5.012 13.212 ( -3.352 2.740 0.285) 4.338 13.404 ( 2.835 -6.115 -1.333) 6.870 13.795 ( -2.852 7.708 3.973) 9.129 14.413 ( -2.176 -1.916 4.999) 5.779 14.693 ( 2.189 0.643 0.051) 2.282 15.023 ( 6.977 0.094 -8.926) 11.330 15.549 ( 2.873 -4.491 2.719) 5.984 15.791 ( 0.968 2.589 -1.246) 3.033 16.264 ( -3.334 1.616 0.095) 3.706 16.425 ( -7.231 -0.787 -2.490) 7.688 16.790 ( -14.145 -0.147 6.126) 15.416 17.378 ( 3.315 -1.957 -5.158) 6.436 17.612 ( -6.558 2.382 5.659) 8.984 17.895 ( 0.752 -2.837 -1.518) 3.304 18.074 ( -2.777 2.755 2.260) 4.518 18.249 ( -3.494 -0.544 -5.560) 6.589 18.894 ( -1.233 0.228 1.183) 1.724 19.149 ( 1.290 -0.319 0.851) 1.578 19.430 ( -0.014 -0.378 -2.003) 2.038 19.971 ( 0.076 0.185 -2.789) 2.796 20.264 ( 3.717 -0.051 2.009) 4.225 20.484 ( 3.589 0.864 -1.364) 3.936 20.709 ( -0.564 -0.969 2.240) 2.505 21.352 ( -1.938 1.144 2.015) 3.021 21.468 ( 1.940 -0.449 -1.047) 2.250 21.846 ( 0.241 0.403 -0.303) 0.559 21.932 ( -3.412 -0.407 0.655) 3.498 22.959 ( 7.963 -0.293 1.279) 8.070 26.565 ( -1.084 -0.422 0.241) 1.188 26.749 ( -1.711 3.228 -8.096) 8.882 26.850 ( -5.720 -2.754 7.030) 9.472 29.731 ( -3.924 -0.005 -0.387) 3.943 30.482 ( 5.629 0.075 -1.314) 5.781 30.580 ( 1.092 -0.072 1.191) 1.618 36.459 ( 4.881 0.128 -0.241) 4.888 36.655 ( 3.636 -0.163 -1.908) 4.109 37.040 ( -4.087 0.032 1.148) 4.245 37.564 ( -6.707 -0.047 0.429) 6.721 38.137 ( -0.320 0.110 0.856) 0.920 38.869 ( -0.575 -0.217 1.792) 1.894 39.503 ( -2.254 0.031 -0.811) 2.395 39.755 ( 5.312 0.187 1.715) 5.585 40.565 ( 4.237 -0.076 -4.572) 6.233 40.867 ( 2.013 0.172 -1.349) 2.430 42.090 ( -7.148 0.199 -4.453) 8.424 42.672 ( 0.882 -0.341 7.280) 7.341 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -30.034 23.808 29.722) 48.500 1.770 ( -43.485 10.232 26.279) 51.829 2.856 ( -46.762 -0.417 72.406) 86.194 4.786 ( 5.890 0.101 3.542) 6.874 4.953 ( 0.907 -1.400 5.011) 5.281 5.433 ( -10.659 1.383 5.408) 12.032 6.495 ( 6.458 -3.406 -5.980) 9.438 6.664 ( 4.270 0.573 -0.788) 4.379 6.822 ( 3.571 1.394 -6.991) 7.973 7.428 ( 15.724 -2.358 -2.263) 16.060 7.752 ( 2.245 -6.502 -10.631) 12.662 8.043 ( 5.892 5.667 -4.343) 9.257 8.429 ( -3.779 0.044 -15.206) 15.668 8.724 ( 2.009 -5.507 3.665) 6.913 8.921 ( 0.877 2.725 -4.113) 5.011 9.237 ( 0.457 3.611 -9.193) 9.888 9.577 ( 0.975 -4.122 1.657) 4.548 9.842 ( -1.170 0.347 9.537) 9.614 10.030 ( 4.875 -5.284 2.232) 7.528 10.130 ( -5.099 4.399 1.627) 6.928 10.406 ( -2.296 -1.079 5.011) 5.616 10.629 ( -11.798 1.498 11.487) 16.534 11.145 ( 9.348 3.858 -17.964) 20.615 11.419 ( 3.069 -0.362 -8.824) 9.349 11.749 ( -5.567 1.445 -9.194) 10.845 12.033 ( 12.676 -1.076 -8.304) 15.192 12.095 ( 10.676 -1.788 3.204) 11.289 12.529 ( 7.964 0.298 -3.513) 8.709 12.944 ( -4.837 -4.545 -0.208) 6.640 13.026 ( -3.808 -1.012 -3.936) 5.570 13.489 ( -3.475 -3.752 -1.642) 5.371 13.816 ( -4.382 -8.455 3.795) 10.251 14.321 ( -2.375 7.879 -8.990) 12.188 14.752 ( 0.748 5.066 3.619) 6.271 15.049 ( 8.013 -5.322 5.942) 11.307 15.470 ( 1.396 -9.426 4.471) 10.526 15.882 ( 6.855 1.816 -2.463) 7.507 16.332 ( -5.018 4.916 0.910) 7.083 16.381 ( 0.177 4.925 3.909) 6.291 16.902 ( -5.382 -4.067 15.370) 16.785 17.285 ( 1.943 -2.424 -2.459) 3.962 17.588 ( -3.494 7.057 -8.846) 11.844 17.930 ( -1.552 1.023 -7.830) 8.047 17.994 ( -2.246 0.096 9.001) 9.278 18.264 ( 0.925 1.079 6.614) 6.765 18.910 ( -2.139 0.796 2.282) 3.228 19.132 ( 0.393 -1.249 -3.067) 3.335 19.373 ( -2.256 7.407 -6.004) 9.798 19.955 ( 0.095 -1.188 1.189) 1.684 20.348 ( -1.140 3.066 2.851) 4.339 20.499 ( 1.974 -4.904 -1.266) 5.436 20.761 ( -0.692 -2.109 7.728) 8.040 21.232 ( -5.257 -0.831 -6.662) 8.527 21.538 ( 5.364 -1.505 2.351) 6.047 21.826 ( -1.418 0.996 -3.015) 3.478 21.908 ( -1.642 0.829 0.366) 1.875 22.762 ( -4.818 1.478 -21.960) 22.531 26.567 ( 0.267 2.585 -1.469) 2.985 26.601 ( -4.390 1.451 -3.866) 6.026 26.961 ( -2.170 -0.253 9.812) 10.053 29.925 ( 5.078 -0.542 17.967) 18.678 30.342 ( 2.275 -0.203 -13.264) 13.459 30.694 ( 2.642 -1.279 4.405) 5.294 36.517 ( 3.855 -1.145 0.310) 4.034 36.678 ( 4.583 -1.952 1.950) 5.350 37.234 ( -1.262 -0.847 15.615) 15.689 37.622 ( 6.029 -1.957 11.078) 12.763 38.139 ( -0.090 -0.436 0.852) 0.961 38.917 ( 4.636 0.865 2.379) 5.283 39.503 ( -0.658 2.033 3.013) 3.694 39.898 ( 4.124 -3.908 8.287) 10.048 40.465 ( 3.175 0.008 -9.903) 10.400 40.889 ( 3.177 0.134 2.057) 3.787 41.842 ( -14.855 5.747 -8.600) 18.101 43.141 ( 17.895 -5.350 31.688) 36.783 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( -3.541 13.036 25.552) 28.903 3.759 ( -9.635 7.086 43.158) 44.784 4.821 ( 2.219 -1.337 -8.850) 9.221 5.174 ( 4.314 -6.374 1.422) 7.827 5.446 ( 5.047 2.287 7.225) 9.105 5.682 ( 4.017 -7.008 -22.018) 23.453 6.159 ( 3.431 -2.163 -0.095) 4.057 6.437 ( -14.735 3.357 -12.161) 19.398 6.867 ( 3.664 -2.875 3.684) 5.938 7.042 ( -2.801 1.672 14.535) 14.897 7.442 ( -1.542 3.465 -9.793) 10.502 7.862 ( -1.290 0.575 6.128) 6.289 8.062 ( 0.013 6.872 9.736) 11.917 8.582 ( 5.412 -9.116 6.155) 12.258 9.003 ( 0.521 1.378 -0.596) 1.589 9.095 ( -1.793 -0.384 -8.280) 8.481 9.341 ( 2.769 -9.978 -3.241) 10.850 9.562 ( -1.130 -6.452 -3.441) 7.399 9.900 ( 5.965 0.028 -15.274) 16.398 10.037 ( 1.633 3.186 -6.733) 7.626 10.316 ( 4.557 6.459 4.117) 8.913 10.646 ( -7.374 -3.427 -4.688) 9.386 10.786 ( -4.300 5.432 -2.259) 7.286 11.272 ( 6.447 -7.144 7.309) 12.084 11.694 ( -4.978 -2.521 1.659) 5.821 12.101 ( -3.283 0.516 15.383) 15.738 12.281 ( 1.501 5.565 10.147) 11.670 12.383 ( 3.483 4.499 -7.462) 9.384 12.684 ( -2.616 1.793 2.310) 3.923 13.014 ( -5.819 5.027 -2.001) 7.946 13.215 ( 5.129 1.017 -9.653) 10.978 13.540 ( -2.944 -4.769 -5.655) 7.962 14.055 ( 6.891 8.027 -7.184) 12.788 14.689 ( 0.399 -0.971 -5.016) 5.125 15.272 ( -0.477 2.171 -9.205) 9.469 15.585 ( -4.001 0.602 -10.625) 11.369 16.027 ( 1.085 -7.818 12.530) 14.808 16.330 ( -1.584 -0.533 -2.655) 3.138 16.459 ( -2.083 5.921 -7.178) 9.536 16.800 ( -3.216 -0.593 4.515) 5.575 17.073 ( 6.758 -5.119 15.505) 17.671 17.572 ( 0.297 -0.299 -3.467) 3.493 17.813 ( -3.442 0.391 -3.984) 5.280 18.335 ( 3.884 -8.114 0.735) 9.026 18.499 ( 4.929 -0.983 4.130) 6.505 18.958 ( 1.131 -2.162 2.227) 3.303 19.132 ( -4.391 -2.015 -0.153) 4.834 19.234 ( -2.141 3.405 3.590) 5.391 20.010 ( -0.681 2.208 0.436) 2.351 20.363 ( 4.546 -4.090 0.016) 6.115 20.654 ( 0.615 2.644 4.396) 5.166 21.133 ( -4.380 3.628 -1.166) 5.806 21.320 ( -1.103 -1.862 0.940) 2.359 21.520 ( -0.911 1.106 1.511) 2.083 21.760 ( 2.588 -0.283 0.786) 2.719 21.931 ( 0.052 1.364 0.791) 1.578 22.111 ( -2.744 1.282 -5.139) 5.965 26.528 ( -0.669 -1.670 5.703) 5.980 26.810 ( -0.945 0.736 5.198) 5.334 27.130 ( 1.813 -2.236 -6.194) 6.830 29.997 ( -1.384 1.130 6.206) 6.458 30.325 ( 2.248 -2.895 -6.283) 7.274 30.542 ( -0.250 2.500 -3.319) 4.163 36.499 ( 3.841 -2.183 -1.321) 4.611 36.853 ( -3.272 2.489 -1.224) 4.290 37.426 ( -6.107 3.563 2.026) 7.355 37.797 ( 3.983 -3.882 3.916) 6.802 38.069 ( 0.389 -0.824 -4.020) 4.122 38.966 ( 8.083 -9.668 -3.924) 13.198 39.712 ( 0.645 3.627 -2.080) 4.230 39.928 ( -7.104 -2.713 2.396) 7.973 40.288 ( 0.101 10.738 -1.074) 10.792 40.947 ( 3.129 -3.255 -2.563) 5.192 42.116 ( -0.377 1.261 8.454) 8.556 43.609 ( 3.021 -9.452 -4.920) 11.076 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( 5.711 0.505 -4.326) 7.182 4.424 ( -3.367 9.294 33.432) 34.863 4.741 ( 0.472 1.815 0.055) 1.876 5.024 ( 5.192 -4.339 -17.549) 18.808 5.423 ( -1.027 -6.672 -2.067) 7.060 5.729 ( 10.525 7.000 7.017) 14.457 5.866 ( -9.063 2.176 -21.093) 23.060 6.222 ( -6.236 2.977 -7.837) 10.448 6.811 ( 0.378 -3.005 -5.220) 6.035 7.131 ( -5.547 -4.901 1.759) 7.608 7.509 ( 1.169 1.583 12.170) 12.328 7.998 ( 2.095 -1.926 5.744) 6.410 8.240 ( -0.390 -1.397 10.433) 10.534 8.598 ( 10.548 -7.342 -7.315) 14.788 8.872 ( 0.028 -8.167 -10.340) 13.177 9.079 ( -2.239 -1.365 1.466) 3.004 9.256 ( -7.591 -1.632 6.859) 10.360 9.514 ( -5.066 -5.497 3.294) 8.169 9.742 ( 10.974 9.061 -11.175) 18.094 10.039 ( 4.462 3.651 -1.752) 6.026 10.406 ( -8.837 2.137 -5.994) 10.889 10.551 ( 2.090 3.400 9.365) 10.180 10.804 ( -3.331 2.897 3.409) 5.578 11.440 ( 4.611 -4.829 5.052) 8.373 11.611 ( -1.516 -6.680 1.291) 6.970 12.174 ( 0.784 -7.851 -2.452) 8.262 12.310 ( -2.420 6.807 -6.008) 9.396 12.516 ( 4.457 2.447 4.921) 7.075 12.786 ( -1.019 5.441 4.571) 7.179 12.962 ( -2.664 0.468 0.650) 2.782 13.165 ( -0.468 10.133 4.513) 11.103 13.505 ( 4.113 -0.177 3.000) 5.094 14.085 ( 1.663 12.889 -1.884) 13.131 14.534 ( -2.148 2.775 -11.696) 12.211 15.072 ( -8.285 6.007 -13.101) 16.624 15.408 ( -2.229 1.249 -4.608) 5.269 16.035 ( 0.953 -0.852 -11.395) 11.466 16.316 ( -1.091 -8.702 14.585) 17.018 16.499 ( 3.427 -1.381 5.268) 6.435 16.854 ( 1.552 -1.739 1.192) 2.618 17.285 ( 2.677 -6.505 4.282) 8.235 17.483 ( -2.861 -3.801 -1.127) 4.890 17.812 ( -0.450 0.798 5.670) 5.744 18.332 ( 1.773 -8.901 1.091) 9.141 18.548 ( 3.334 -1.326 -2.038) 4.126 19.006 ( 1.129 -2.620 3.172) 4.266 19.061 ( -2.977 -5.338 0.412) 6.125 19.394 ( 0.841 2.955 10.808) 11.236 20.021 ( -0.965 1.856 0.635) 2.186 20.367 ( 3.438 -2.183 -2.756) 4.918 20.695 ( -0.248 -1.256 -0.622) 1.423 21.067 ( -3.206 7.113 -7.310) 10.691 21.243 ( -1.719 3.623 -6.118) 7.316 21.519 ( 0.120 -6.790 1.097) 6.879 21.820 ( 3.797 3.408 2.477) 5.672 21.941 ( 1.045 -1.236 0.131) 1.624 22.103 ( -3.971 3.548 4.329) 6.863 26.631 ( 0.967 -5.490 6.972) 8.927 26.875 ( 0.651 0.064 2.171) 2.268 27.009 ( -0.891 -1.025 -5.632) 5.793 30.097 ( 0.569 -1.595 -0.718) 1.839 30.228 ( -0.190 -0.172 2.522) 2.535 30.502 ( -0.574 4.478 -4.312) 6.243 36.475 ( 2.171 -0.227 -4.143) 4.683 36.766 ( -3.988 2.329 -5.335) 7.057 37.454 ( -1.238 3.624 2.086) 4.361 37.914 ( 3.864 -6.872 8.152) 11.341 38.014 ( -1.212 -2.064 -0.370) 2.422 38.822 ( 0.700 -4.974 -11.826) 12.848 39.685 ( -0.134 3.708 -2.548) 4.501 39.909 ( -3.497 0.298 0.938) 3.633 40.344 ( 2.026 11.191 -1.430) 11.462 40.891 ( 0.008 -3.121 -3.165) 4.445 42.260 ( 2.801 -2.087 7.151) 7.959 43.420 ( -2.013 -8.917 -10.990) 14.295 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 -0.67 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( 2.961 -12.307 -22.581) 25.887 4.608 ( 0.303 -2.270 -15.079) 15.252 4.707 ( -2.170 1.228 -5.836) 6.346 5.064 ( -3.614 3.129 15.582) 16.299 5.279 ( -3.006 -5.461 -12.236) 13.732 5.483 ( -0.767 -1.160 -7.662) 7.787 5.943 ( 3.635 10.190 -1.077) 10.872 6.185 ( 3.032 8.375 9.486) 13.012 6.715 ( 1.497 -3.159 -6.264) 7.173 7.092 ( -0.625 -3.323 2.360) 4.124 7.651 ( -1.214 -2.886 -1.584) 3.509 8.013 ( 1.849 -6.670 -1.876) 7.171 8.370 ( -5.561 -2.671 10.286) 11.994 8.616 ( 1.778 -5.925 -6.537) 9.000 8.674 ( 2.542 2.946 0.690) 3.952 8.959 ( 6.188 1.322 -10.651) 12.389 9.345 ( -5.872 -0.229 10.455) 11.993 9.599 ( -6.507 1.201 14.108) 15.583 9.811 ( 11.791 3.640 -1.690) 12.456 10.079 ( -2.933 4.778 4.029) 6.904 10.331 ( -1.224 4.062 1.956) 4.672 10.724 ( 3.413 1.105 4.637) 5.863 10.802 ( -4.657 -4.153 -0.463) 6.257 11.408 ( -4.869 -4.936 3.128) 7.606 11.696 ( 4.246 -2.973 0.629) 5.221 12.045 ( 0.848 -2.315 -4.385) 5.030 12.179 ( -3.517 -7.395 -5.792) 10.030 12.467 ( -0.112 -0.125 -10.181) 10.182 12.802 ( 1.187 6.181 -4.718) 7.866 13.132 ( 6.017 8.007 9.304) 13.671 13.369 ( -5.832 10.847 9.241) 15.397 13.690 ( 3.881 2.209 11.463) 12.302 14.135 ( 2.855 9.106 -2.772) 9.937 14.373 ( -6.096 10.364 -2.343) 12.250 14.818 ( -0.937 5.192 -12.010) 13.117 15.343 ( -2.533 -1.616 -2.913) 4.185 15.877 ( 2.902 1.184 -7.864) 8.466 16.528 ( -1.436 -5.464 11.395) 12.719 16.621 ( 1.534 -10.585 10.684) 15.118 16.868 ( 1.041 0.312 2.609) 2.826 17.242 ( 1.608 -5.087 -4.554) 7.015 17.491 ( -0.356 -1.529 3.851) 4.159 17.943 ( 0.315 -3.405 9.383) 9.987 18.301 ( 0.497 -8.911 -0.750) 8.956 18.502 ( 0.032 -0.386 -3.664) 3.684 18.975 ( -3.229 -5.304 -0.566) 6.236 19.106 ( 3.696 -4.329 4.149) 7.044 19.571 ( -1.688 -1.658 8.134) 8.471 20.034 ( -0.103 2.612 -0.324) 2.634 20.288 ( -2.528 -0.319 -6.000) 6.519 20.628 ( 3.809 -1.002 -7.885) 8.814 20.906 ( -2.988 6.886 -10.209) 12.672 21.198 ( 0.183 4.463 -0.677) 4.518 21.510 ( 0.807 -5.618 1.450) 5.858 21.898 ( 1.777 -0.709 0.003) 1.913 21.995 ( 3.728 2.441 3.491) 5.660 22.164 ( -5.457 1.907 7.170) 9.210 26.661 ( -0.572 -8.108 0.526) 8.145 26.898 ( 3.155 -0.732 -1.214) 3.458 26.965 ( -2.604 0.656 2.525) 3.686 30.006 ( -0.013 -4.763 -2.547) 5.401 30.373 ( -0.232 3.047 5.646) 6.419 30.422 ( 0.387 5.370 -5.657) 7.809 36.415 ( 0.072 2.511 -4.144) 4.846 36.649 ( -0.223 2.236 -6.898) 7.254 37.476 ( 0.535 3.440 -2.472) 4.270 37.964 ( 0.934 -2.445 -0.925) 2.776 38.078 ( 0.093 -10.563 8.822) 13.763 38.607 ( -2.443 0.022 -6.825) 7.249 39.669 ( 1.046 1.258 -2.049) 2.623 39.865 ( -2.306 2.065 -3.740) 4.855 40.401 ( 3.380 11.645 -2.169) 12.318 40.818 ( -1.023 -1.948 -2.762) 3.531 42.386 ( 3.105 -3.079 5.600) 7.105 43.121 ( -3.126 -8.583 -14.584) 17.209 ======================= Grid point 32 (25/125) ======================= q-point: (-0.56 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -7.010 -20.607 -28.339) 35.733 4.214 ( -25.022 -7.395 -14.671) 29.934 4.524 ( 2.450 -2.534 -15.762) 16.152 4.724 ( -5.096 -4.656 -19.227) 20.428 5.335 ( 9.314 -5.945 9.562) 14.612 5.681 ( 4.079 9.704 7.889) 13.155 5.962 ( -6.079 3.792 1.276) 7.278 6.483 ( 3.149 11.639 4.480) 12.863 6.577 ( 6.416 0.101 -6.754) 9.317 7.196 ( 4.971 -5.699 5.376) 9.279 7.352 ( -5.971 5.630 -20.534) 22.114 7.935 ( -0.194 -3.401 -2.132) 4.019 8.455 ( -1.899 -5.512 3.764) 6.939 8.514 ( 4.904 -3.333 -0.630) 5.963 8.774 ( -1.236 4.365 6.563) 7.978 9.058 ( 4.973 2.213 9.926) 11.321 9.465 ( -1.655 2.942 5.708) 6.632 9.793 ( -1.981 2.764 10.036) 10.596 9.931 ( 5.988 2.589 5.742) 8.691 10.156 ( -1.324 1.681 2.119) 3.012 10.407 ( -0.129 1.000 -0.782) 1.276 10.674 ( -1.513 -3.118 0.002) 3.466 10.814 ( 4.680 -1.003 2.427) 5.367 11.471 ( -4.401 -5.273 9.440) 11.674 11.618 ( -5.092 -4.419 -3.840) 7.759 11.971 ( -1.657 -0.832 -6.893) 7.138 12.094 ( 3.917 -5.445 2.240) 7.071 12.289 ( -1.413 2.276 -8.536) 8.946 12.747 ( 4.463 5.132 -6.757) 9.587 13.343 ( -3.706 5.471 -6.927) 9.573 13.370 ( 3.701 9.749 4.842) 11.497 13.950 ( -5.159 6.654 9.242) 12.502 14.147 ( 2.936 6.848 0.586) 7.474 14.510 ( 4.456 4.820 9.400) 11.464 14.733 ( 5.073 3.491 -3.171) 6.926 15.232 ( -3.744 -2.521 -2.289) 5.060 15.837 ( 3.301 4.633 -3.170) 6.513 16.533 ( -2.973 -10.402 0.029) 10.819 16.736 ( -0.682 -0.922 2.943) 3.159 17.022 ( -3.281 -3.504 12.159) 13.073 17.187 ( 0.175 -1.572 2.164) 2.681 17.568 ( 3.400 -1.799 5.899) 7.042 18.040 ( 0.505 -8.740 0.649) 8.779 18.206 ( -1.072 -7.886 -1.746) 8.148 18.453 ( -1.725 1.603 -1.242) 2.662 18.904 ( -2.278 -3.827 -1.000) 4.564 19.156 ( 1.983 -4.303 0.811) 4.807 19.594 ( -2.239 -7.765 -0.103) 8.082 20.026 ( 0.995 5.497 -3.443) 6.562 20.161 ( -2.031 1.943 -4.478) 5.287 20.547 ( 3.989 -0.199 -5.085) 6.466 20.762 ( -1.838 7.879 -8.300) 11.591 21.247 ( -0.397 3.964 2.309) 4.605 21.511 ( 0.263 -5.009 1.213) 5.160 21.876 ( -0.760 -2.424 -1.177) 2.800 22.047 ( -0.965 2.364 -0.726) 2.655 22.335 ( 1.312 0.513 14.020) 14.090 26.603 ( -0.432 -6.094 -0.740) 6.154 26.889 ( -2.785 0.363 0.080) 2.810 26.994 ( 1.375 -2.065 0.678) 2.571 29.996 ( 0.274 -4.389 3.197) 5.437 30.262 ( -0.660 3.267 -9.220) 9.804 30.524 ( 1.970 4.561 2.873) 5.739 36.379 ( -0.067 3.023 -1.960) 3.603 36.570 ( 3.119 4.536 -5.611) 7.860 37.389 ( 1.251 1.761 -10.632) 10.849 37.922 ( -4.392 -3.858 -0.558) 5.872 38.084 ( 0.682 -5.125 -0.661) 5.212 38.632 ( -0.120 -3.470 10.214) 10.788 39.628 ( 1.264 -1.613 -4.177) 4.653 39.778 ( -1.291 4.026 -5.642) 7.050 40.470 ( 3.289 11.797 -1.550) 12.345 40.767 ( 0.728 -0.776 -1.700) 2.006 42.460 ( -0.877 -4.009 3.111) 5.150 42.799 ( -0.346 -6.769 -14.510) 16.015 ======================= Grid point 33 (26/125) ======================= q-point: (-0.44 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -14.533 -21.182 -26.416) 36.847 3.610 ( -37.674 -10.858 -9.013) 40.230 4.204 ( -12.798 2.342 -13.600) 18.821 4.556 ( 2.364 -0.654 -3.665) 4.410 5.328 ( -19.087 1.143 -7.787) 20.646 5.811 ( -3.358 -1.148 1.799) 3.979 6.034 ( 16.567 -2.365 7.759) 18.446 6.401 ( 1.895 7.229 -5.131) 9.065 6.725 ( 4.884 2.068 -5.055) 7.327 6.933 ( 8.208 3.729 -10.504) 13.842 7.495 ( 3.219 8.773 8.523) 12.647 7.933 ( 4.129 -6.673 2.282) 8.172 8.480 ( 2.148 -3.976 2.744) 5.287 8.554 ( 8.595 -0.828 -0.594) 8.655 8.918 ( -5.359 -0.808 10.423) 11.748 9.249 ( -2.073 0.388 8.078) 8.349 9.550 ( 3.784 5.479 1.335) 6.791 9.861 ( 2.463 0.920 -9.229) 9.597 10.055 ( -1.130 3.712 0.563) 3.920 10.176 ( -2.218 -3.236 7.885) 8.807 10.318 ( 1.891 2.798 -0.456) 3.408 10.807 ( 0.860 0.784 2.132) 2.429 10.944 ( 7.458 -5.563 12.649) 15.702 11.407 ( -6.537 -3.286 -7.469) 10.455 11.532 ( -4.074 -2.228 3.687) 5.929 11.877 ( -1.474 -3.054 -1.989) 3.931 12.115 ( 4.986 6.241 -4.349) 9.095 12.262 ( 2.204 -3.137 4.189) 5.679 12.735 ( 11.425 2.278 -6.848) 13.514 13.191 ( 0.198 3.873 -7.459) 8.407 13.574 ( -0.741 5.259 9.164) 10.592 13.867 ( -13.030 11.767 -6.049) 18.570 14.292 ( 5.104 -2.401 2.890) 6.339 14.666 ( 5.281 1.749 0.971) 5.647 14.826 ( 5.534 -2.233 4.945) 7.750 15.289 ( 0.100 3.548 10.738) 11.310 15.847 ( 0.959 4.602 -2.216) 5.197 16.420 ( -3.306 -7.631 -2.695) 8.742 16.692 ( -3.534 -0.996 -4.282) 5.641 17.041 ( -5.808 1.193 0.188) 5.933 17.294 ( -1.018 0.610 6.284) 6.396 17.734 ( 4.093 -10.463 3.390) 11.736 17.880 ( -2.775 -7.861 1.817) 8.533 18.168 ( -3.068 -2.829 -1.083) 4.312 18.418 ( -2.152 3.850 -3.590) 5.687 18.879 ( -0.933 -1.269 1.928) 2.489 19.140 ( 0.015 -2.203 -0.730) 2.321 19.480 ( 0.597 -6.360 -5.334) 8.322 20.014 ( 0.354 4.820 -2.722) 5.547 20.142 ( 1.157 0.262 1.342) 1.791 20.473 ( 2.952 1.390 -7.964) 8.607 20.716 ( -0.924 5.475 -0.660) 5.592 21.291 ( -0.225 1.530 1.959) 2.496 21.499 ( -1.332 -2.208 0.531) 2.633 21.843 ( 0.332 -2.640 -0.406) 2.691 22.021 ( -2.748 1.770 -0.813) 3.369 22.612 ( 4.334 -0.439 13.351) 14.043 26.577 ( -0.246 -3.476 1.159) 3.673 26.850 ( -1.857 2.322 -2.886) 4.144 26.982 ( -2.521 -3.736 0.909) 4.598 29.945 ( -2.593 -0.387 -7.395) 7.846 30.243 ( 3.369 -1.324 5.751) 6.796 30.569 ( 1.954 3.693 -2.321) 4.779 36.371 ( 1.585 0.476 -1.056) 1.963 36.571 ( 3.706 6.722 -2.667) 8.126 37.195 ( 0.438 -0.263 -11.346) 11.358 37.822 ( -8.388 -3.353 -0.728) 9.063 38.088 ( 2.074 -0.707 1.182) 2.489 38.796 ( 0.515 -5.216 9.272) 10.651 39.562 ( 0.499 -1.394 -2.075) 2.549 39.696 ( 0.642 3.510 -6.313) 7.251 40.522 ( 1.709 7.023 -1.921) 7.478 40.775 ( 3.649 1.098 -0.362) 3.827 42.378 ( -6.198 -6.429 -4.376) 9.945 42.626 ( 2.727 -0.841 -4.086) 4.984 ======================= Grid point 34 (27/125) ======================= q-point: (-0.33 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -22.069 0.158 1.842) 22.146 3.120 ( -42.860 0.853 -1.424) 42.892 3.823 ( -42.889 -1.340 4.035) 43.099 4.567 ( 4.870 -0.128 0.736) 4.927 5.006 ( -10.936 0.259 -5.584) 12.282 5.735 ( -12.217 -0.682 1.586) 12.339 6.318 ( 14.201 -0.657 2.623) 14.456 6.489 ( 6.764 2.633 0.198) 7.261 6.653 ( 11.625 0.582 -1.268) 11.708 6.980 ( 10.572 -4.581 -2.038) 11.701 7.641 ( 4.177 13.777 -2.645) 14.638 7.971 ( 6.503 -12.868 1.598) 14.506 8.555 ( 1.418 3.076 2.071) 3.970 8.592 ( 11.712 0.566 -7.455) 13.894 9.016 ( -6.707 -2.895 8.937) 11.543 9.311 ( -1.638 -1.930 2.771) 3.754 9.531 ( -0.333 2.739 -10.989) 11.330 9.759 ( 2.275 5.914 0.845) 6.392 9.983 ( 0.537 -6.897 -4.222) 8.105 10.305 ( -10.155 1.230 11.119) 15.108 10.473 ( 6.892 0.984 5.566) 8.913 10.720 ( -3.258 -1.557 -4.637) 5.877 11.097 ( 1.305 0.868 -4.527) 4.791 11.288 ( 9.199 -6.366 -3.186) 11.632 11.624 ( -1.296 10.068 8.544) 13.268 11.867 ( 3.140 -4.961 2.091) 6.233 12.080 ( 0.188 3.119 -6.682) 7.377 12.373 ( 6.297 1.227 2.593) 6.920 12.750 ( 12.315 -4.601 -2.276) 13.342 13.178 ( 4.491 2.948 0.544) 5.400 13.503 ( -10.232 -9.775 -5.619) 15.226 13.889 ( -5.869 12.282 6.525) 15.095 14.375 ( 6.008 1.058 3.842) 7.209 14.676 ( -0.411 -4.257 -0.660) 4.328 14.902 ( 5.225 0.058 -3.293) 6.177 15.466 ( 4.832 -3.593 1.761) 6.274 15.807 ( -1.919 2.174 -3.203) 4.321 16.335 ( -3.687 1.172 0.458) 3.896 16.571 ( -7.314 0.692 -1.704) 7.542 17.032 ( -10.043 -0.007 8.232) 12.986 17.309 ( 3.317 -3.455 -5.909) 7.606 17.671 ( 0.843 1.217 2.338) 2.767 17.942 ( -5.163 -1.296 -2.062) 5.708 18.120 ( -1.884 3.024 1.503) 3.867 18.321 ( -3.708 -0.746 -3.943) 5.464 18.915 ( -0.914 0.533 2.612) 2.818 19.128 ( 0.789 -0.771 -0.439) 1.187 19.414 ( 1.644 -0.688 -0.954) 2.021 19.973 ( -0.327 0.379 -3.079) 3.120 20.212 ( 1.330 0.449 4.623) 4.831 20.405 ( 4.374 0.619 -3.834) 5.849 20.726 ( -1.033 -1.531 1.692) 2.505 21.350 ( 1.883 2.204 2.198) 3.638 21.473 ( -2.258 -0.887 -0.898) 2.587 21.835 ( 0.772 0.272 -0.463) 0.940 21.997 ( -2.957 -0.160 0.437) 2.993 22.807 ( 7.097 -0.548 1.348) 7.244 26.580 ( -0.429 -0.691 0.129) 0.823 26.781 ( -1.521 3.163 -4.911) 6.036 26.961 ( -5.225 -2.403 3.998) 7.004 29.817 ( -4.719 -0.025 -0.252) 4.726 30.364 ( 6.273 0.116 -1.213) 6.390 30.560 ( 0.950 -0.096 1.051) 1.419 36.383 ( 2.946 0.123 0.022) 2.949 36.588 ( 3.020 -0.152 -1.786) 3.512 37.086 ( -0.977 0.059 0.739) 1.227 37.720 ( -8.779 -0.131 0.161) 8.781 38.132 ( 1.107 0.149 1.560) 1.918 38.873 ( 0.257 -0.261 1.519) 1.563 39.546 ( -1.921 0.057 -1.197) 2.264 39.658 ( 4.257 0.156 1.242) 4.437 40.508 ( 1.640 0.131 -4.160) 4.473 40.808 ( 3.626 0.134 -0.678) 3.692 42.220 ( -5.800 0.371 -4.840) 7.563 42.657 ( 0.578 -0.610 7.301) 7.349 ======================= Grid point 35 (28/125) ======================= q-point: (-0.22 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -22.809 21.446 30.683) 43.837 2.704 ( -48.479 12.885 5.902) 50.508 3.765 ( -43.425 -5.236 44.438) 62.353 4.671 ( 5.599 0.530 5.234) 7.683 4.954 ( -1.455 -0.532 4.389) 4.655 5.664 ( -13.133 -0.792 5.578) 14.290 6.368 ( 8.019 -1.319 -7.731) 11.217 6.559 ( 6.358 0.548 2.596) 6.890 6.701 ( 7.214 0.889 -9.702) 12.123 7.104 ( 16.019 -4.710 3.724) 17.108 7.656 ( 6.759 -4.153 -4.747) 9.244 7.975 ( 2.159 3.807 -2.634) 5.108 8.457 ( 2.095 -3.050 -12.632) 13.163 8.626 ( 5.638 2.582 -2.611) 6.729 8.992 ( -5.716 -0.834 -4.303) 7.203 9.199 ( 2.668 7.644 -10.575) 13.318 9.536 ( 1.028 -8.618 6.334) 10.744 9.866 ( 1.479 4.660 1.225) 5.040 9.947 ( 0.922 -9.381 8.748) 12.860 10.270 ( -5.979 -1.258 -5.947) 8.526 10.465 ( -5.239 -0.199 0.168) 5.246 10.778 ( 4.142 2.358 2.923) 5.591 10.998 ( 0.523 6.815 -6.014) 9.104 11.303 ( 6.736 -2.502 -2.843) 7.727 11.830 ( 5.520 7.027 1.643) 9.085 11.841 ( -1.729 2.412 -6.112) 6.795 11.978 ( 0.883 -7.016 -0.509) 7.089 12.385 ( 7.158 3.965 -8.255) 11.623 12.890 ( 8.630 -4.483 5.488) 11.167 13.129 ( -5.688 -7.360 -7.628) 12.030 13.471 ( 3.008 -4.080 12.830) 13.795 13.912 ( -5.273 -6.677 1.284) 8.604 14.381 ( -2.433 0.441 -10.560) 10.845 14.698 ( 4.239 7.892 0.391) 8.967 14.902 ( 6.651 -4.870 4.465) 9.375 15.439 ( 2.798 -11.423 0.375) 11.766 15.760 ( 3.772 2.950 -3.554) 5.964 16.382 ( -2.447 7.717 2.922) 8.607 16.507 ( -9.763 3.260 1.216) 10.364 17.043 ( -4.934 -5.019 0.661) 7.069 17.261 ( -1.530 -0.933 4.588) 4.925 17.647 ( -1.650 7.374 -14.382) 16.247 17.918 ( 1.826 6.805 0.901) 7.103 18.076 ( -4.730 3.392 0.788) 5.874 18.290 ( -3.653 -2.934 4.316) 6.370 18.952 ( -1.800 1.174 2.693) 3.445 19.114 ( 1.190 0.028 -1.749) 2.116 19.416 ( -2.334 6.845 -2.511) 7.655 19.961 ( -0.325 -1.502 2.890) 3.273 20.331 ( 1.352 2.054 7.037) 7.454 20.420 ( 5.393 -5.190 0.518) 7.503 20.766 ( 0.255 -4.422 5.817) 7.312 21.322 ( -3.267 -1.230 -6.131) 7.055 21.467 ( 1.819 0.426 1.395) 2.332 21.842 ( -0.173 2.913 -0.890) 3.051 21.958 ( -3.296 -0.807 -1.092) 3.565 22.745 ( 4.567 -0.291 -14.112) 14.835 26.567 ( -0.174 2.932 -1.336) 3.227 26.697 ( -5.103 2.469 -2.785) 6.316 27.006 ( -2.275 -0.594 6.265) 6.692 29.898 ( -1.312 0.333 12.288) 12.362 30.285 ( 3.425 0.692 -10.785) 11.337 30.637 ( 3.039 -2.572 3.782) 5.492 36.441 ( 3.687 -0.551 2.117) 4.287 36.587 ( 4.151 -4.637 1.029) 6.308 37.228 ( 1.293 -1.242 15.390) 15.495 37.662 ( -6.931 2.575 1.023) 7.464 38.146 ( -0.217 -0.478 -0.188) 0.558 38.869 ( 1.751 3.567 -3.935) 5.592 39.519 ( -0.916 1.999 1.204) 2.507 39.805 ( 4.933 -3.080 9.481) 11.123 40.417 ( 1.253 -3.635 -5.872) 7.019 40.832 ( 2.918 -0.476 0.215) 2.964 42.076 ( -10.140 5.786 -5.018) 12.707 42.922 ( 7.475 -1.627 19.044) 20.523 ======================= Grid point 36 (29/125) ======================= q-point: (-0.11 0.33 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -24.691 19.461 28.914) 42.713 2.792 ( -32.079 5.986 39.210) 51.013 4.380 ( -19.946 4.503 56.204) 59.808 4.836 ( 3.352 -1.876 7.753) 8.653 5.076 ( -1.076 1.758 11.078) 11.268 5.674 ( -10.240 0.474 9.395) 13.905 6.261 ( 8.822 -1.184 -10.142) 13.494 6.608 ( 0.148 -3.981 -4.018) 5.658 6.630 ( 8.918 2.016 -5.899) 10.881 7.217 ( 11.762 -2.705 -4.542) 12.895 7.569 ( -0.262 -4.909 -4.895) 6.937 7.938 ( -0.858 3.872 -5.979) 7.175 8.212 ( -3.091 2.825 -12.693) 13.366 8.620 ( 3.336 -8.935 -2.575) 9.879 8.881 ( 3.516 6.773 -3.765) 8.510 9.184 ( 2.508 6.233 -2.178) 7.063 9.521 ( 0.646 -9.512 -1.622) 9.671 9.733 ( 1.585 -4.936 -11.396) 12.520 10.090 ( 0.045 5.849 -2.572) 6.390 10.242 ( 0.228 -2.633 7.021) 7.502 10.447 ( 4.986 -3.225 0.467) 5.956 10.731 ( 7.729 4.584 -14.295) 16.885 11.075 ( -13.508 4.104 13.108) 19.265 11.292 ( 3.385 1.405 -1.202) 3.857 11.511 ( -6.373 -13.211 -15.803) 21.561 11.841 ( -0.580 4.179 -3.323) 5.371 12.088 ( 5.973 7.203 0.287) 9.362 12.442 ( 9.571 3.638 3.260) 10.746 12.841 ( -4.899 -6.298 -8.668) 11.781 13.019 ( 3.134 -6.932 1.986) 7.862 13.517 ( -10.482 -1.480 -3.214) 11.063 13.873 ( -4.925 -8.439 2.453) 10.074 14.194 ( 4.593 5.348 -10.564) 12.700 14.720 ( 5.048 1.576 -3.888) 6.564 15.209 ( 12.392 -6.199 19.038) 23.546 15.454 ( 3.776 -11.372 7.262) 14.012 15.810 ( 5.239 1.299 -0.036) 5.398 16.333 ( -7.754 7.407 -7.369) 13.011 16.514 ( -1.813 6.154 4.018) 7.570 16.904 ( -1.758 -1.030 -11.639) 11.816 17.276 ( -5.324 -3.986 -4.232) 7.883 17.528 ( 3.560 7.264 -0.111) 8.090 17.856 ( -1.539 5.926 -2.861) 6.758 18.202 ( -2.759 -2.685 8.977) 9.768 18.326 ( 0.793 1.821 1.925) 2.766 18.959 ( -1.649 -0.288 -0.530) 1.756 19.121 ( -1.154 3.203 1.241) 3.624 19.367 ( -4.610 8.995 -3.322) 10.639 19.997 ( -2.152 -2.023 2.615) 3.945 20.384 ( 0.296 -5.523 -1.082) 5.636 20.490 ( -0.032 1.744 3.300) 3.733 20.905 ( 3.794 -3.559 12.691) 13.716 21.199 ( -2.916 0.499 -1.707) 3.416 21.507 ( 2.568 -1.262 0.652) 2.935 21.778 ( -2.463 -0.196 -4.697) 5.307 21.937 ( -1.153 1.903 0.432) 2.266 22.506 ( -1.451 0.224 -13.258) 13.339 26.547 ( -3.631 4.830 -2.812) 6.665 26.652 ( -2.498 0.717 2.590) 3.669 27.105 ( 0.783 -0.760 5.760) 5.862 30.054 ( 2.003 2.352 -4.419) 5.392 30.202 ( 1.119 -2.807 6.532) 7.197 30.673 ( 3.531 -2.104 -2.006) 4.574 36.469 ( 3.087 -3.770 -0.200) 4.877 36.693 ( 4.823 -0.105 5.909) 7.628 37.477 ( -5.213 2.229 8.816) 10.481 37.668 ( 3.846 -1.424 2.516) 4.811 38.142 ( 1.351 -0.636 0.034) 1.493 38.843 ( 6.590 -2.339 -2.309) 7.364 39.590 ( 0.480 3.143 4.323) 5.366 39.967 ( 1.817 -6.252 6.493) 9.195 40.335 ( 0.604 -0.063 -3.305) 3.360 40.875 ( 4.577 -0.128 0.978) 4.682 41.959 ( -11.349 7.807 0.605) 13.788 43.339 ( 14.637 -5.688 16.121) 22.505 ======================= Grid point 38 (30/125) ======================= q-point: ( 0.11 -0.56 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 5.166 -3.497 -14.279) 15.583 4.368 ( 12.433 3.031 5.998) 14.133 4.711 ( -0.247 1.136 -1.246) 1.704 4.971 ( -2.371 0.298 0.299) 2.408 5.392 ( 2.946 -0.046 -0.571) 3.001 5.626 ( 0.670 2.076 9.045) 9.304 6.028 ( -5.816 2.212 -8.953) 10.903 6.435 ( -14.021 -0.936 -10.227) 17.380 6.772 ( 3.168 1.881 -5.767) 6.844 7.252 ( -4.076 -3.308 -0.437) 5.268 7.469 ( 2.723 0.381 8.694) 9.118 7.942 ( 3.486 -4.864 3.938) 7.163 8.122 ( 9.057 -0.795 7.979) 12.096 8.489 ( 0.498 -4.288 -8.524) 9.554 8.911 ( -3.600 -7.765 -4.220) 9.543 9.119 ( -1.498 -0.596 2.851) 3.275 9.414 ( -6.413 3.176 5.416) 8.974 9.479 ( 8.024 7.086 -5.599) 12.081 9.702 ( -7.489 -3.711 2.597) 8.752 9.926 ( 4.986 1.648 1.065) 5.358 10.421 ( 5.351 0.441 5.471) 7.665 10.635 ( -7.859 1.608 -4.988) 9.447 10.862 ( -1.342 7.181 3.176) 7.966 11.307 ( 6.481 -4.699 5.830) 9.903 11.697 ( -5.048 -7.604 -1.080) 9.191 12.141 ( 2.170 -7.523 -7.707) 10.986 12.280 ( 1.787 8.966 1.083) 9.207 12.505 ( 1.473 1.194 -0.253) 1.913 12.790 ( 0.715 -0.040 3.700) 3.769 12.895 ( 6.094 2.824 -7.152) 9.811 13.227 ( -4.921 7.327 11.001) 14.104 13.564 ( -8.944 -1.951 5.665) 10.766 13.964 ( 9.569 8.388 1.046) 12.768 14.590 ( -3.459 2.204 -7.450) 8.504 15.224 ( -4.237 3.535 -2.917) 6.242 15.510 ( -8.031 3.694 -6.090) 10.734 16.036 ( -0.738 -1.975 -8.425) 8.685 16.367 ( -2.778 -5.767 7.798) 10.089 16.422 ( 1.743 1.586 0.125) 2.359 16.823 ( 1.643 -3.207 -1.604) 3.944 17.192 ( 7.678 -3.810 8.270) 11.910 17.527 ( -2.389 -3.856 -1.242) 4.703 17.822 ( -0.413 0.814 2.813) 2.957 18.275 ( 2.973 -6.081 1.353) 6.903 18.493 ( 2.004 0.541 -1.143) 2.369 18.966 ( 1.649 -1.655 1.417) 2.733 19.138 ( -3.161 -4.544 -0.551) 5.563 19.362 ( 2.350 2.011 8.455) 9.003 20.038 ( -0.328 0.868 0.350) 0.991 20.287 ( 2.986 0.753 -1.068) 3.259 20.671 ( 2.057 -1.189 -2.519) 3.463 21.168 ( -4.619 1.972 -1.789) 5.331 21.294 ( -3.340 5.261 -8.660) 10.669 21.525 ( -0.534 -6.635 0.850) 6.710 21.744 ( 3.278 2.899 -0.964) 4.481 21.932 ( 0.160 -2.083 1.667) 2.673 22.158 ( -1.475 3.425 5.336) 6.510 26.597 ( 2.279 -3.395 4.188) 5.854 26.857 ( 1.200 -1.279 -3.195) 3.645 27.039 ( -2.078 0.598 0.627) 2.252 30.073 ( 1.823 -1.655 -3.649) 4.402 30.241 ( -1.329 0.885 4.878) 5.133 30.521 ( -1.103 2.548 -2.372) 3.652 36.439 ( 0.977 0.570 -1.995) 2.293 36.844 ( -3.155 1.243 -4.952) 6.001 37.527 ( -6.195 3.170 0.496) 6.976 37.797 ( 8.134 -6.291 4.613) 11.271 38.035 ( -1.020 -1.039 1.200) 1.887 38.798 ( 0.662 -0.843 -6.316) 6.406 39.687 ( -0.131 1.195 -1.972) 2.310 40.007 ( -4.967 -0.359 0.284) 4.988 40.312 ( 1.070 7.558 -1.564) 7.792 40.871 ( 1.393 -1.696 -1.659) 2.751 42.190 ( 3.706 -2.795 2.664) 5.352 43.475 ( -3.390 -3.713 -6.449) 8.177 ======================= Grid point 39 (31/125) ======================= q-point: ( 0.22 -0.56 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 12.427 -12.842 -22.502) 28.735 4.302 ( 26.565 -3.586 -25.391) 36.923 4.770 ( -3.424 3.353 -2.577) 5.441 5.008 ( 0.917 1.362 1.128) 1.992 5.413 ( 0.740 -1.553 -3.604) 3.994 5.694 ( -17.612 -2.785 1.352) 17.882 5.896 ( -0.343 6.633 2.952) 7.269 6.200 ( -5.636 5.459 0.955) 7.904 6.698 ( 0.804 1.809 -5.625) 5.963 7.133 ( -1.886 -5.016 -4.489) 6.990 7.626 ( 3.201 0.646 0.554) 3.312 7.975 ( 1.736 -8.669 0.635) 8.864 8.304 ( 13.601 -3.711 -0.074) 14.098 8.508 ( -0.721 -0.743 14.017) 14.055 8.751 ( -4.208 -2.085 -7.901) 9.192 8.966 ( -5.894 1.248 -7.415) 9.554 9.484 ( -6.355 3.664 5.400) 9.109 9.578 ( 8.323 5.874 3.105) 10.650 9.745 ( -6.349 -2.203 12.705) 14.373 10.109 ( -0.115 0.826 12.482) 12.510 10.411 ( -5.987 3.984 -3.546) 8.018 10.598 ( 5.988 -2.171 -1.380) 6.517 10.942 ( -6.946 4.911 5.525) 10.144 11.440 ( 5.099 -5.511 3.509) 8.287 11.635 ( -1.243 -4.692 3.503) 5.986 11.968 ( 5.538 -1.080 -11.056) 12.413 12.287 ( -5.131 -6.640 -2.354) 8.716 12.390 ( 6.510 -2.557 -12.638) 14.444 12.794 ( 0.124 6.333 -1.655) 6.547 12.997 ( 6.921 8.336 3.372) 11.347 13.476 ( -3.639 9.943 12.748) 16.571 13.687 ( -5.649 1.034 15.772) 16.785 14.078 ( 3.750 7.682 -5.772) 10.315 14.459 ( -3.953 8.446 -0.077) 9.326 15.026 ( -15.959 4.560 -11.438) 20.157 15.392 ( -3.229 4.616 -3.403) 6.581 15.833 ( 1.084 -2.018 -9.030) 9.316 16.498 ( 4.157 -5.489 4.177) 8.053 16.590 ( 2.805 -10.701 20.051) 22.901 16.797 ( 3.874 0.668 -2.732) 4.788 17.249 ( -1.270 -3.350 0.483) 3.615 17.500 ( -0.369 -2.323 0.639) 2.437 17.910 ( 2.725 -4.631 6.683) 8.576 18.272 ( 1.741 -7.361 -0.677) 7.594 18.481 ( 2.132 0.481 -2.646) 3.432 18.997 ( 1.943 -3.243 0.138) 3.783 19.091 ( -2.856 -5.227 2.884) 6.618 19.545 ( 4.293 -2.808 6.462) 8.251 20.048 ( -0.550 2.414 -0.033) 2.477 20.293 ( 0.987 2.801 -2.388) 3.811 20.594 ( 0.294 -1.558 -6.883) 7.063 20.990 ( -5.245 5.222 -12.406) 14.446 21.201 ( -0.578 2.839 -0.937) 3.045 21.503 ( -0.081 -3.929 0.228) 3.936 21.815 ( 5.186 0.802 2.703) 5.903 21.962 ( 0.589 -0.759 2.016) 2.233 22.265 ( -4.226 2.865 7.389) 8.981 26.651 ( 1.820 -7.780 1.159) 8.074 26.805 ( 4.724 -0.411 -2.402) 5.316 27.044 ( -4.178 0.951 1.965) 4.714 30.003 ( 0.381 -4.154 -1.562) 4.454 30.329 ( 2.267 3.560 -1.231) 4.397 30.482 ( -4.138 3.794 0.967) 5.697 36.410 ( -0.037 2.814 -2.676) 3.883 36.696 ( -3.799 1.530 -8.108) 9.084 37.497 ( -3.002 3.246 -2.279) 4.974 37.883 ( 6.967 -6.953 0.424) 9.852 38.080 ( -0.334 -4.248 5.806) 7.202 38.670 ( -3.629 1.130 -4.416) 5.827 39.654 ( 0.435 0.057 -2.387) 2.427 39.940 ( -4.951 2.528 -3.659) 6.655 40.337 ( 2.609 8.882 -2.604) 9.616 40.835 ( -0.476 -0.992 -2.175) 2.438 42.268 ( 7.799 -5.845 2.655) 10.101 43.237 ( -7.852 -3.968 -11.650) 14.599 ======================= Grid point 40 (32/125) ======================= q-point: ( 0.33 -0.56 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 6.940 -20.117 -25.973) 33.577 4.154 ( 26.426 -8.279 -18.411) 33.254 4.575 ( -5.810 -2.341 -10.771) 12.460 4.873 ( -1.867 -6.949 -17.952) 19.341 5.176 ( 1.095 1.634 -5.699) 6.029 5.732 ( -9.842 2.834 14.601) 17.835 6.048 ( 0.838 10.540 3.791) 11.233 6.379 ( 4.752 2.765 7.636) 9.409 6.579 ( -6.384 5.078 -4.959) 9.546 7.055 ( 8.043 -6.613 -4.210) 11.231 7.483 ( -5.526 7.038 -15.924) 18.265 7.945 ( -0.801 -8.017 1.560) 8.207 8.362 ( 4.272 -0.086 -9.505) 10.421 8.514 ( 0.094 -4.301 5.933) 7.329 8.849 ( -4.770 3.220 8.676) 10.412 8.972 ( 2.375 -0.244 15.416) 15.599 9.535 ( -2.878 9.117 1.062) 9.619 9.725 ( 2.866 -1.267 4.171) 5.217 9.965 ( -3.963 -0.592 18.636) 19.062 10.215 ( -3.615 3.049 -1.345) 4.917 10.386 ( -0.334 -0.721 1.650) 1.832 10.609 ( 6.109 2.790 -0.418) 6.729 10.900 ( -10.641 -4.158 -0.766) 11.450 11.485 ( 2.872 -4.629 2.499) 5.994 11.674 ( -0.956 0.479 1.838) 2.127 11.947 ( 6.820 -1.112 -2.659) 7.404 12.087 ( -4.957 -9.260 -1.378) 10.593 12.256 ( 4.345 0.427 -9.389) 10.355 12.744 ( -3.879 5.130 -7.225) 9.672 13.199 ( 9.384 7.262 3.434) 12.353 13.509 ( -9.693 9.910 -8.518) 16.270 13.914 ( 4.113 4.221 11.059) 12.532 14.134 ( 1.691 9.707 8.660) 13.118 14.585 ( -6.861 5.369 7.021) 11.189 14.719 ( -6.540 0.648 -7.219) 9.762 15.310 ( -4.056 1.192 -3.287) 5.355 15.762 ( 3.800 2.374 -2.461) 5.112 16.533 ( 2.664 -11.037 0.889) 11.389 16.768 ( -1.511 1.730 0.752) 2.416 16.935 ( 8.675 -4.483 10.216) 14.133 17.277 ( -6.903 -3.473 11.763) 14.075 17.506 ( 3.243 -1.094 1.402) 3.699 18.000 ( 3.402 -9.557 1.357) 10.235 18.201 ( 0.859 -7.831 -1.930) 8.111 18.459 ( 1.521 1.352 -2.420) 3.162 18.958 ( -2.573 -2.978 -0.817) 4.020 19.117 ( 1.471 -3.917 2.025) 4.649 19.587 ( 3.347 -8.437 -2.041) 9.303 20.025 ( -1.030 3.400 -3.919) 5.289 20.235 ( -4.743 4.265 -4.059) 7.561 20.474 ( 2.327 1.001 -5.510) 6.064 20.809 ( -2.423 7.534 -9.101) 12.061 21.254 ( -0.123 3.205 3.916) 5.062 21.495 ( 1.249 -4.370 1.200) 4.700 21.872 ( 0.986 -3.564 -0.153) 3.701 22.017 ( 3.079 1.944 1.678) 4.010 22.380 ( -4.776 1.724 11.146) 12.248 26.603 ( 0.383 -6.337 -1.183) 6.458 26.848 ( 4.994 -1.047 -0.175) 5.105 27.031 ( -3.220 -0.525 1.087) 3.438 30.001 ( -0.674 -4.521 3.625) 5.834 30.245 ( 2.068 3.242 -9.944) 10.661 30.531 ( -2.488 4.614 3.113) 6.097 36.388 ( -0.868 3.835 -1.741) 4.300 36.551 ( -1.136 3.111 -6.317) 7.133 37.386 ( -1.111 1.988 -10.267) 10.517 37.900 ( 5.272 -4.233 -0.684) 6.796 38.110 ( -1.902 -4.408 1.231) 4.956 38.669 ( -3.403 -2.892 8.798) 9.867 39.606 ( 1.062 -1.507 -3.789) 4.213 39.821 ( -3.236 4.134 -7.108) 8.837 40.391 ( 4.058 10.043 -0.953) 10.874 40.781 ( -1.610 -0.372 -2.211) 2.760 42.354 ( 8.819 -7.137 1.578) 11.455 42.919 ( -9.045 -3.095 -12.217) 15.513 ======================= Grid point 41 (33/125) ======================= q-point: ( 0.44 -0.56 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.898 -20.424 -25.826) 32.938 3.985 ( 4.748 -9.181 -14.460) 17.774 4.364 ( -7.213 -0.747 -3.370) 7.997 4.585 ( -4.679 -0.774 -5.531) 7.286 5.346 ( 16.984 -1.061 9.720) 19.598 5.836 ( -8.641 3.719 3.377) 9.995 6.113 ( -14.990 -2.322 -1.987) 15.299 6.255 ( 11.386 3.941 -6.897) 13.883 6.639 ( 1.927 6.335 -5.672) 8.719 6.894 ( 0.666 2.769 -15.169) 15.434 7.429 ( 1.250 7.170 10.579) 12.841 7.890 ( -0.429 -6.975 -2.667) 7.480 8.331 ( 4.993 -3.655 2.720) 6.759 8.555 ( -1.438 0.263 0.177) 1.473 8.992 ( -3.055 -2.401 10.944) 11.613 9.268 ( 0.788 1.664 12.169) 12.308 9.547 ( -1.589 7.521 -1.753) 7.884 9.771 ( 4.015 -0.571 -1.927) 4.490 10.050 ( 1.311 0.467 -8.879) 8.988 10.260 ( -7.586 -1.250 11.188) 13.574 10.355 ( -2.312 1.480 1.217) 3.004 10.756 ( 4.541 5.603 5.576) 9.116 10.843 ( 0.165 -7.411 8.374) 11.184 11.445 ( 3.278 -2.835 -12.986) 13.691 11.659 ( -6.643 -1.265 3.373) 7.557 11.888 ( 0.782 -1.942 -1.928) 2.846 12.075 ( -0.724 -6.151 -0.226) 6.197 12.231 ( 1.558 5.546 1.768) 6.026 12.588 ( 1.525 2.514 -8.980) 9.449 13.169 ( 0.778 0.148 -9.391) 9.424 13.556 ( 2.730 13.922 8.554) 16.567 14.099 ( -2.022 9.863 -1.774) 10.223 14.214 ( -5.002 -5.563 -0.778) 7.521 14.586 ( 2.284 5.066 5.827) 8.052 14.772 ( 0.578 -5.063 6.819) 8.513 15.304 ( -1.992 3.576 5.229) 6.641 15.813 ( 2.714 4.743 0.917) 5.541 16.460 ( -0.450 -8.206 -3.153) 8.803 16.737 ( -0.815 1.318 -3.344) 3.685 17.074 ( 1.727 3.284 2.643) 4.555 17.353 ( -3.866 -3.554 2.389) 5.769 17.649 ( 3.632 -8.481 6.012) 11.012 17.906 ( -0.007 -9.488 3.700) 10.184 18.192 ( 0.557 -4.959 0.538) 5.019 18.434 ( 0.880 3.896 -4.249) 5.831 18.917 ( -2.662 -0.778 0.836) 2.896 19.126 ( 1.294 -1.928 -0.226) 2.333 19.468 ( 0.490 -5.977 -7.263) 9.419 19.987 ( 1.846 2.112 -1.696) 3.278 20.181 ( -4.530 2.738 1.072) 5.401 20.407 ( 3.502 0.805 -7.919) 8.697 20.736 ( -0.987 7.185 -2.096) 7.549 21.303 ( -1.206 1.141 0.975) 1.926 21.514 ( 0.329 -3.253 2.024) 3.845 21.835 ( 0.217 -2.946 -1.187) 3.183 22.049 ( 0.131 1.819 -0.988) 2.074 22.575 ( -0.916 0.480 12.203) 12.247 26.578 ( 0.187 -3.608 1.149) 3.791 26.845 ( 1.922 0.306 -3.568) 4.065 27.030 ( -1.735 -1.859 2.175) 3.346 29.979 ( -0.189 -0.209 -5.594) 5.601 30.193 ( 0.919 -1.839 3.601) 4.147 30.555 ( -0.493 4.138 -1.420) 4.403 36.359 ( -0.337 0.599 -1.992) 2.107 36.522 ( 1.153 6.206 -1.013) 6.393 37.191 ( -0.187 -0.237 -10.324) 10.329 37.913 ( 1.241 -2.275 -0.264) 2.605 38.075 ( -2.345 -1.850 0.595) 3.045 38.798 ( -0.914 -5.403 9.193) 10.702 39.550 ( 0.609 -0.556 -1.711) 1.900 39.697 ( -0.649 3.295 -7.562) 8.274 40.475 ( 3.016 7.677 -0.222) 8.251 40.740 ( -0.343 0.022 -0.792) 0.864 42.374 ( 4.818 -7.645 -3.188) 9.582 42.678 ( -5.993 0.403 -4.487) 7.497 ======================= Grid point 43 (34/125) ======================= q-point: (-0.44 0.44 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -8.072 0.133 0.655) 8.099 3.743 ( -18.130 1.104 -2.196) 18.296 4.304 ( -8.503 -1.647 5.174) 10.088 4.530 ( -1.225 -0.049 1.487) 1.927 5.362 ( -20.638 0.127 -12.241) 23.996 5.895 ( 7.394 -0.305 10.247) 12.640 6.003 ( 2.820 -1.796 3.183) 4.616 6.407 ( 6.010 -1.929 -7.031) 9.448 6.445 ( 4.591 7.084 0.460) 8.454 6.852 ( 3.654 -3.120 1.572) 5.055 7.600 ( 0.686 4.727 -3.423) 5.876 7.834 ( 5.373 -4.957 1.655) 7.495 8.399 ( 5.423 0.626 -2.900) 6.182 8.554 ( -0.039 0.675 0.590) 0.897 9.080 ( -0.270 0.008 3.098) 3.109 9.364 ( -2.512 -1.180 1.187) 3.019 9.569 ( -3.008 -0.751 -1.915) 3.644 9.710 ( 2.183 1.783 -1.217) 3.070 9.972 ( 0.749 -1.216 -2.176) 2.603 10.292 ( 6.995 0.511 4.424) 8.292 10.481 ( -6.303 1.244 6.285) 8.988 10.746 ( -0.351 -1.288 -5.278) 5.444 11.098 ( 5.596 -2.975 -6.098) 8.795 11.170 ( -2.068 0.518 3.473) 4.075 11.680 ( -2.888 6.063 2.612) 7.206 11.853 ( -0.884 -3.263 0.148) 3.383 12.064 ( 1.512 2.802 -0.962) 3.326 12.288 ( 2.078 -1.615 1.215) 2.899 12.542 ( 6.910 -1.788 -1.610) 7.317 13.097 ( 2.741 0.905 -0.685) 2.967 13.695 ( -7.032 -7.072 -3.293) 10.502 13.998 ( -4.904 11.339 4.462) 13.135 14.229 ( 7.323 -1.736 0.809) 7.569 14.676 ( 0.338 -3.261 -0.462) 3.310 14.838 ( 1.494 0.627 -0.398) 1.668 15.393 ( 2.179 -1.353 0.772) 2.679 15.840 ( -1.098 0.840 -1.745) 2.227 16.390 ( -1.616 0.417 0.294) 1.695 16.684 ( -3.546 0.738 -0.066) 3.622 17.152 ( -2.053 1.092 3.703) 4.372 17.273 ( 0.077 -3.150 -2.863) 4.257 17.634 ( 1.600 0.136 0.211) 1.619 18.029 ( -2.698 0.131 -1.345) 3.018 18.145 ( -0.647 1.278 0.823) 1.651 18.378 ( -1.743 -0.362 -1.303) 2.206 18.928 ( -0.324 0.345 1.687) 1.752 19.120 ( 0.117 -0.533 -0.709) 0.894 19.380 ( 1.306 -0.342 -0.096) 1.354 19.981 ( -0.380 0.266 -1.785) 1.844 20.213 ( -0.961 0.420 4.675) 4.791 20.327 ( 3.032 0.049 -3.894) 4.936 20.743 ( -0.533 -0.862 0.547) 1.152 21.315 ( 1.123 1.005 0.685) 1.655 21.517 ( -1.569 -0.224 -0.020) 1.585 21.820 ( 0.598 0.074 -0.269) 0.660 22.037 ( -1.059 0.036 0.115) 1.066 22.707 ( 2.811 -0.327 0.610) 2.895 26.584 ( -0.104 -0.328 0.019) 0.345 26.803 ( -0.596 1.276 -1.657) 2.175 27.035 ( -2.065 -0.916 1.315) 2.614 29.898 ( -2.844 -0.030 -0.027) 2.844 30.261 ( 3.470 0.074 -0.550) 3.514 30.546 ( 0.375 -0.047 0.422) 0.566 36.345 ( 0.972 0.049 0.040) 0.974 36.546 ( 1.165 -0.060 -0.705) 1.363 37.092 ( -0.022 0.031 0.229) 0.232 37.873 ( -5.760 -0.104 -0.396) 5.774 38.092 ( 2.473 0.086 1.268) 2.781 38.864 ( 0.375 -0.093 0.525) 0.652 39.567 ( -0.162 0.106 -0.551) 0.584 39.606 ( 0.912 -0.051 0.388) 0.993 40.496 ( -0.033 0.166 -1.833) 1.840 40.747 ( 2.099 0.006 0.020) 2.099 42.300 ( -2.208 0.221 -2.280) 3.181 42.650 ( 0.188 -0.346 3.244) 3.267 ======================= Grid point 44 (35/125) ======================= q-point: (-0.33 0.44 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -12.885 20.683 27.236) 36.546 3.549 ( -36.228 11.210 6.104) 38.411 4.367 ( -13.146 -2.669 17.714) 22.220 4.604 ( -0.632 0.094 8.586) 8.609 5.055 ( -10.503 -0.914 -0.197) 10.544 5.928 ( -12.235 -0.582 2.890) 12.585 6.119 ( 14.020 -1.605 -6.215) 15.420 6.424 ( 10.563 0.760 3.420) 11.128 6.622 ( 0.161 -3.623 3.663) 5.155 6.886 ( 4.349 -2.590 2.148) 5.499 7.512 ( 7.713 -6.609 -3.702) 10.811 7.929 ( 2.660 5.036 1.282) 5.838 8.347 ( 6.019 -0.938 -6.382) 8.823 8.571 ( 0.715 4.346 -2.407) 5.020 9.047 ( 1.454 0.113 -7.868) 8.002 9.210 ( -4.135 2.873 -14.755) 15.590 9.539 ( -1.168 -10.555 7.189) 12.824 9.790 ( 4.373 3.560 -1.778) 5.912 9.996 ( -3.835 -3.146 12.035) 13.017 10.331 ( -1.574 -3.108 -14.470) 14.883 10.494 ( 11.121 0.224 -0.458) 11.133 10.650 ( -4.119 -1.280 -2.811) 5.148 10.941 ( 7.626 5.743 -3.691) 10.235 11.323 ( -7.465 1.632 7.387) 10.628 11.747 ( 3.368 5.383 -1.038) 6.434 11.864 ( -1.210 -2.848 3.243) 4.483 12.044 ( -4.742 3.541 -1.367) 6.074 12.257 ( 5.209 1.173 -7.626) 9.309 12.689 ( 10.019 -5.430 9.552) 14.869 13.179 ( 0.714 -0.221 2.287) 2.406 13.477 ( -4.044 -13.683 2.987) 14.577 14.012 ( -5.270 -3.583 -3.290) 7.172 14.372 ( 4.237 0.174 -4.039) 5.856 14.609 ( 4.684 -1.313 2.434) 5.439 14.796 ( 3.343 1.964 -5.786) 6.965 15.365 ( 4.044 -7.299 -1.571) 8.491 15.756 ( -2.436 -1.416 -3.839) 4.762 16.436 ( -2.552 7.931 2.704) 8.759 16.683 ( -6.954 1.674 4.113) 8.250 17.055 ( 0.795 -5.488 -7.834) 9.598 17.352 ( -4.626 2.013 8.126) 9.565 17.635 ( 1.841 6.554 -13.277) 14.921 17.899 ( -0.113 10.400 -2.188) 10.629 18.154 ( -3.170 5.421 -1.538) 6.465 18.379 ( -4.473 -4.240 4.903) 7.875 18.961 ( 1.200 0.937 1.195) 1.936 19.103 ( -0.479 1.085 -0.625) 1.341 19.454 ( -1.289 6.254 3.489) 7.276 19.965 ( -0.380 -1.203 2.789) 3.061 20.285 ( 5.197 -1.446 0.957) 5.479 20.355 ( -0.978 -2.641 6.166) 6.779 20.754 ( 0.885 -6.479 4.310) 7.832 21.333 ( 1.416 -1.290 -2.163) 2.889 21.482 ( -2.431 2.603 -1.625) 3.915 21.838 ( 0.417 3.250 0.617) 3.335 22.019 ( -2.656 -1.331 -0.583) 3.027 22.640 ( 5.187 -0.863 -11.371) 12.528 26.572 ( -0.344 3.320 -1.290) 3.578 26.787 ( -3.940 1.884 0.225) 4.374 27.039 ( -0.803 -0.047 1.729) 1.907 29.946 ( -2.914 0.260 8.128) 8.639 30.219 ( 3.003 1.537 -6.906) 7.686 30.583 ( 2.278 -3.688 2.410) 4.960 36.383 ( 2.148 -0.567 2.428) 3.291 36.528 ( 1.770 -5.631 0.494) 5.924 37.203 ( 1.032 -0.315 11.335) 11.387 37.811 ( -7.466 2.963 0.038) 8.033 38.132 ( 2.037 0.386 -0.016) 2.074 38.830 ( 2.149 4.989 -7.228) 9.042 39.537 ( -0.801 1.317 0.806) 1.740 39.728 ( 2.759 -3.451 9.112) 10.127 40.423 ( -1.785 -5.952 -2.910) 6.862 40.775 ( 2.752 -0.436 0.803) 2.900 42.248 ( -7.773 6.609 -1.617) 10.331 42.797 ( 6.046 -0.461 11.121) 12.666 ======================= Grid point 45 (36/125) ======================= q-point: (-0.22 0.44 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -18.109 20.191 24.221) 36.363 3.490 ( -38.065 7.464 26.688) 47.085 4.638 ( -2.501 2.782 18.726) 19.096 4.817 ( -3.601 -0.891 17.593) 17.979 5.129 ( -4.179 1.650 15.419) 16.061 5.851 ( -5.772 2.293 0.407) 6.224 6.091 ( 9.758 -5.877 -11.245) 16.007 6.400 ( 8.324 -2.393 -9.265) 12.683 6.657 ( -1.334 -5.414 4.551) 7.198 7.006 ( 6.445 1.877 4.217) 7.928 7.559 ( 2.133 -6.476 3.924) 7.866 7.951 ( -0.297 8.306 -3.877) 9.171 8.293 ( -4.330 0.768 -5.817) 7.292 8.542 ( 3.822 -0.803 0.316) 3.918 8.855 ( -1.010 0.226 -12.358) 12.402 9.064 ( 8.378 5.151 -5.689) 11.362 9.535 ( -1.410 -13.909 2.393) 14.183 9.717 ( 0.209 0.215 -10.632) 10.636 10.044 ( 4.282 0.409 -15.338) 15.930 10.239 ( 0.127 0.837 12.495) 12.524 10.424 ( -0.748 -2.448 -7.213) 7.654 10.577 ( 5.855 2.091 -7.015) 9.374 11.120 ( 10.862 0.794 1.780) 11.036 11.341 ( -11.462 6.146 4.811) 13.867 11.666 ( -4.968 -9.522 -4.963) 11.831 11.822 ( -1.316 5.519 -3.519) 6.676 12.102 ( -4.996 1.626 10.018) 11.312 12.269 ( 7.647 9.966 -0.116) 12.562 12.847 ( 5.098 -4.203 0.475) 6.624 13.034 ( -6.531 -11.277 -3.666) 13.538 13.636 ( -0.127 -5.752 4.511) 7.311 13.886 ( 1.998 -6.619 3.210) 7.623 14.126 ( 1.602 -4.567 -15.997) 16.713 14.634 ( 2.329 -0.874 -8.265) 8.632 14.972 ( 13.738 -1.556 14.433) 19.987 15.384 ( 3.581 -10.095 4.773) 11.727 15.728 ( 1.366 1.882 1.812) 2.948 16.458 ( -4.713 11.437 -3.198) 12.777 16.650 ( -10.954 2.301 0.449) 11.202 16.892 ( 2.270 0.174 -11.877) 12.093 17.361 ( -1.049 -3.233 -8.630) 9.275 17.461 ( 1.138 6.286 0.406) 6.401 17.922 ( -4.234 8.859 -4.026) 10.612 18.200 ( 1.006 4.971 4.006) 6.463 18.391 ( -5.013 -0.995 4.129) 6.570 18.980 ( -0.300 1.040 -0.714) 1.297 19.116 ( 1.019 4.423 -0.141) 4.541 19.481 ( -6.623 8.707 0.052) 10.940 20.035 ( -0.900 -2.128 3.997) 4.617 20.319 ( 4.020 -6.600 -0.148) 7.729 20.480 ( 1.978 0.938 7.757) 8.060 20.850 ( 2.028 -5.949 9.622) 11.493 21.242 ( -1.508 -1.242 -4.343) 4.762 21.480 ( 0.168 1.125 0.988) 1.507 21.835 ( -2.824 1.855 -3.602) 4.939 21.965 ( -1.954 0.274 -0.574) 2.055 22.474 ( 4.056 -1.340 -11.346) 12.124 26.589 ( -1.107 6.299 0.502) 6.415 26.739 ( -5.733 1.169 -0.472) 5.870 27.081 ( 1.825 -0.521 2.260) 2.951 30.021 ( 1.373 4.188 -3.222) 5.459 30.206 ( -1.390 -3.546 7.725) 8.613 30.598 ( 3.964 -3.467 -2.156) 5.691 36.416 ( 2.158 -3.962 0.500) 4.540 36.604 ( 3.995 -1.838 7.229) 8.462 37.437 ( 4.167 -2.484 11.595) 12.568 37.763 ( -8.284 5.691 0.231) 10.053 38.129 ( 0.352 0.465 -1.619) 1.721 38.747 ( 4.285 1.536 -6.610) 8.025 39.590 ( -0.466 2.448 3.690) 4.453 39.900 ( 4.458 -4.324 8.443) 10.481 40.336 ( -1.331 -6.346 -0.508) 6.504 40.816 ( 2.066 -0.152 1.154) 2.371 42.167 ( -10.237 7.908 -1.536) 13.026 43.106 ( 10.312 -0.498 14.067) 17.449 ======================= Grid point 46 (37/125) ======================= q-point: (-0.11 0.44 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -14.455 13.775 30.044) 36.074 3.740 ( -29.030 4.082 33.144) 44.248 4.832 ( 3.125 -2.963 1.333) 4.508 5.016 ( 0.726 -0.439 7.824) 7.870 5.355 ( -4.283 -0.705 7.009) 8.244 5.819 ( 1.228 -5.794 -3.491) 6.875 6.063 ( 10.938 5.797 -1.260) 12.443 6.399 ( 12.127 -2.631 0.889) 12.441 6.651 ( -4.038 -2.190 5.819) 7.413 7.138 ( -1.388 2.902 2.971) 4.379 7.554 ( -2.800 -1.360 0.316) 3.129 7.944 ( -2.373 6.863 -0.911) 7.318 8.075 ( -8.109 2.760 -7.914) 11.662 8.515 ( 0.010 -5.982 -5.349) 8.025 8.864 ( 6.943 8.348 4.548) 11.772 9.100 ( 6.527 0.909 -1.256) 6.709 9.437 ( -4.678 -8.564 -4.275) 10.654 9.574 ( 2.811 -5.335 -1.618) 6.244 9.921 ( 10.771 2.934 -9.172) 14.449 10.107 ( 0.254 -0.577 -18.638) 18.648 10.434 ( -4.263 1.457 -3.000) 5.413 10.602 ( 6.273 -0.851 6.258) 8.902 11.037 ( 1.498 -10.981 -10.969) 15.593 11.262 ( -9.196 5.032 -2.463) 10.768 11.685 ( -0.601 8.535 4.871) 9.846 11.884 ( -1.796 -0.345 12.823) 12.953 12.186 ( -8.330 4.892 7.355) 12.141 12.428 ( 5.295 0.080 1.001) 5.390 12.749 ( -3.784 -3.080 -2.339) 5.411 12.964 ( 3.325 -5.047 -1.177) 6.157 13.473 ( -3.950 -4.278 -9.753) 11.359 13.822 ( 1.612 -3.798 -11.328) 12.056 13.996 ( 0.023 -1.360 -5.747) 5.906 14.589 ( 8.772 -5.828 0.922) 10.572 15.240 ( 5.799 -2.264 3.047) 6.931 15.545 ( 11.820 -11.527 10.197) 19.405 15.840 ( 1.315 4.105 9.396) 10.337 16.370 ( -8.333 5.590 -2.891) 10.442 16.541 ( -0.239 4.555 -8.503) 9.649 16.760 ( -0.971 2.232 -1.660) 2.947 17.213 ( -6.114 0.477 -5.912) 8.518 17.530 ( 3.063 3.671 -0.188) 4.785 17.871 ( -0.295 5.138 -2.523) 5.732 18.258 ( 0.487 1.319 -0.176) 1.417 18.419 ( -3.865 -0.212 4.471) 5.913 18.957 ( -1.596 0.870 -0.730) 1.959 19.144 ( 1.576 5.033 -1.329) 5.439 19.428 ( -6.914 3.702 -3.514) 8.594 20.030 ( -2.077 -1.683 0.314) 2.692 20.310 ( 2.835 -5.251 -0.940) 6.041 20.568 ( -2.445 3.444 3.344) 5.387 21.096 ( 5.146 -3.858 15.616) 16.888 21.214 ( 0.277 -1.547 1.965) 2.516 21.508 ( 0.359 2.794 0.211) 2.824 21.732 ( -2.818 -1.413 -2.425) 3.977 21.952 ( -0.675 2.087 -1.440) 2.624 22.314 ( 0.617 -2.072 -9.351) 9.598 26.585 ( -4.677 4.752 -1.648) 6.868 26.740 ( -1.916 1.295 4.889) 5.408 27.118 ( 3.366 -1.441 -1.031) 3.804 29.990 ( -0.984 2.427 -0.494) 2.665 30.308 ( 0.220 -2.393 3.712) 4.422 30.559 ( 3.653 -2.334 -3.838) 5.790 36.428 ( 1.924 -3.114 1.007) 3.796 36.770 ( 3.479 -0.123 7.199) 7.996 37.590 ( 5.353 -2.687 2.610) 6.534 37.709 ( -9.733 6.362 -0.704) 11.650 38.097 ( 1.526 0.941 -3.586) 4.009 38.754 ( 5.643 -3.861 2.444) 7.261 39.655 ( 0.623 1.467 2.401) 2.882 40.017 ( 1.735 -3.668 3.998) 5.697 40.310 ( -0.544 -3.343 0.725) 3.464 40.851 ( 2.135 0.360 0.572) 2.239 42.116 ( -7.464 6.651 1.262) 10.077 43.405 ( 9.479 -2.125 9.087) 13.302 ======================= Grid point 95 (38/125) ======================= q-point: ( 0.11 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -0.000 -0.000 45.972) 45.972 2.811 ( -0.000 -0.000 50.325) 50.325 4.954 ( 0.000 0.000 -1.589) 1.589 5.043 ( -0.000 -0.000 33.656) 33.656 5.291 ( -0.000 -0.000 9.740) 9.740 5.807 ( -0.000 -0.000 43.707) 43.707 6.407 ( 0.000 0.000 -12.422) 12.422 6.427 ( 0.000 0.000 -14.487) 14.487 6.520 ( 0.000 0.000 -8.301) 8.301 7.239 ( 0.000 0.000 -6.438) 6.438 7.632 ( -0.000 -0.000 8.770) 8.770 7.736 ( 0.000 0.000 -27.268) 27.268 7.775 ( 0.000 0.000 -4.289) 4.289 8.905 ( 0.000 0.000 -0.610) 0.610 8.911 ( -0.000 -0.000 0.339) 0.339 9.024 ( 0.000 0.000 -2.163) 2.163 9.558 ( -0.000 -0.000 7.170) 7.170 9.683 ( 0.000 0.000 -5.641) 5.641 10.104 ( -0.000 -0.000 3.410) 3.410 10.194 ( 0.000 0.000 -16.913) 16.913 10.611 ( 0.000 0.000 -7.629) 7.629 10.622 ( 0.000 0.000 -23.779) 23.779 10.852 ( 0.000 0.000 -8.828) 8.828 11.247 ( -0.000 -0.000 29.807) 29.807 11.403 ( -0.000 -0.000 2.626) 2.626 12.045 ( -0.000 -0.000 0.511) 0.511 12.127 ( 0.000 0.000 -3.106) 3.106 12.324 ( 0.000 0.000 -8.189) 8.189 12.810 ( 0.000 0.000 -8.430) 8.430 12.830 ( -0.000 -0.000 0.710) 0.710 13.343 ( -0.000 -0.000 3.707) 3.707 13.633 ( 0.000 0.000 -4.002) 4.002 14.162 ( 0.000 0.000 -6.553) 6.553 14.775 ( 0.000 0.000 -2.738) 2.738 15.514 ( 0.000 0.000 -15.550) 15.550 15.742 ( 0.000 0.000 -2.195) 2.195 16.017 ( 0.000 0.000 -0.164) 0.164 16.224 ( -0.000 -0.000 15.322) 15.322 16.403 ( 0.000 0.000 -4.450) 4.450 16.770 ( 0.000 0.000 -14.908) 14.908 16.954 ( -0.000 -0.000 14.003) 14.003 17.600 ( -0.000 -0.000 4.894) 4.894 17.842 ( 0.000 0.000 -5.965) 5.965 18.340 ( -0.000 -0.000 4.955) 4.955 18.721 ( -0.000 -0.000 3.428) 3.428 18.996 ( 0.000 0.000 -0.801) 0.801 19.020 ( -0.000 -0.000 5.775) 5.775 19.060 ( 0.000 0.000 -0.219) 0.219 19.973 ( 0.000 0.000 -0.386) 0.386 20.271 ( -0.000 -0.000 12.896) 12.896 20.843 ( 0.000 0.000 -11.247) 11.247 20.845 ( -0.000 -0.000 9.852) 9.852 21.293 ( -0.000 -0.000 14.795) 14.795 21.454 ( 0.000 0.000 -8.471) 8.471 21.853 ( -0.000 -0.000 2.321) 2.321 21.876 ( 0.000 0.000 -3.191) 3.191 22.148 ( 0.000 0.000 -5.915) 5.915 26.440 ( -0.000 -0.000 3.390) 3.390 26.712 ( -0.000 -0.000 5.134) 5.134 27.225 ( -0.000 -0.000 1.564) 1.564 29.955 ( 0.000 0.000 -4.518) 4.518 30.390 ( -0.000 -0.000 3.980) 3.980 30.644 ( 0.000 0.000 -9.113) 9.113 36.636 ( -0.000 -0.000 2.967) 2.967 36.752 ( 0.000 0.000 -2.868) 2.868 37.261 ( -0.000 -0.000 3.247) 3.247 37.850 ( 0.000 0.000 -1.111) 1.111 38.164 ( 0.000 0.000 -4.901) 4.901 39.488 ( -0.000 -0.000 4.003) 4.003 39.667 ( 0.000 0.000 -16.739) 16.739 39.766 ( -0.000 -0.000 5.708) 5.708 40.126 ( 0.000 0.000 -0.571) 0.571 41.100 ( 0.000 0.000 -3.332) 3.332 41.835 ( -0.000 -0.000 18.010) 18.010 43.962 ( 0.000 0.000 -9.089) 9.089 ======================= Grid point 96 (39/125) ======================= q-point: ( 0.22 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 5.612 2.400 37.686) 38.177 3.631 ( 3.403 2.661 41.761) 41.984 4.853 ( -0.917 -0.572 -8.918) 8.983 5.294 ( -3.834 -1.790 5.834) 7.207 5.463 ( -0.987 -1.566 9.400) 9.581 5.793 ( -2.207 0.923 -25.627) 25.738 6.188 ( 0.122 -4.319 -12.600) 13.320 6.295 ( 3.461 5.997 -15.329) 16.820 6.872 ( 1.175 -1.367 34.298) 34.345 7.119 ( -7.170 -0.475 -3.174) 7.856 7.330 ( 5.907 -0.056 -17.397) 18.373 7.840 ( 1.826 2.389 8.372) 8.896 7.954 ( 2.803 0.512 21.685) 21.872 8.794 ( -8.913 -3.596 -0.831) 9.647 8.960 ( 2.825 -1.231 2.773) 4.145 9.042 ( 2.814 2.303 -1.052) 3.786 9.552 ( -8.460 -3.991 -6.005) 11.116 9.639 ( -1.854 1.383 -2.762) 3.602 9.848 ( 5.397 0.764 -19.930) 20.661 10.131 ( -7.924 -2.226 -4.776) 9.516 10.263 ( 2.171 -1.988 -1.150) 3.161 10.605 ( 3.296 2.900 -15.523) 16.132 10.658 ( 4.128 2.180 3.332) 5.735 11.460 ( -8.706 -4.830 8.503) 13.093 11.663 ( 5.091 5.463 7.966) 10.919 12.086 ( -5.427 -4.124 7.787) 10.349 12.192 ( 3.995 -7.852 12.723) 15.475 12.337 ( 5.786 12.433 1.935) 13.850 12.659 ( -0.515 -0.612 -5.865) 5.919 12.868 ( 5.599 3.947 -1.200) 6.955 13.293 ( -4.373 -4.734 -6.473) 9.134 13.593 ( -1.428 2.273 -1.782) 3.222 13.986 ( 2.500 -0.272 -12.877) 13.120 14.689 ( 0.418 0.289 -8.178) 8.194 15.234 ( 1.284 0.752 -16.280) 16.348 15.508 ( 2.863 1.096 -12.813) 13.174 16.206 ( -7.824 -0.264 8.672) 11.683 16.288 ( 2.945 -1.553 -1.569) 3.680 16.380 ( 2.067 0.571 -0.249) 2.158 16.757 ( 2.464 2.132 9.095) 9.661 17.202 ( -4.120 -2.617 15.863) 16.597 17.587 ( -1.389 -1.927 -4.079) 4.720 17.765 ( 2.296 1.793 -3.332) 4.426 18.411 ( -0.711 -0.469 2.958) 3.078 18.666 ( -8.843 -4.441 -0.391) 9.904 18.992 ( -1.061 -1.585 1.702) 2.556 19.098 ( 2.698 1.347 1.804) 3.514 19.164 ( 2.473 2.436 7.365) 8.142 19.977 ( 0.918 0.386 0.287) 1.037 20.482 ( -4.169 -0.654 7.989) 9.035 20.632 ( -1.033 -3.767 -3.457) 5.216 21.007 ( 6.424 5.349 0.152) 8.361 21.317 ( 0.596 0.412 -7.345) 7.381 21.513 ( -0.234 -0.375 10.358) 10.367 21.799 ( -1.431 -0.421 -3.612) 3.907 21.915 ( 0.209 -0.510 4.488) 4.521 22.059 ( 2.098 1.431 -6.085) 6.594 26.544 ( -0.409 -0.128 8.314) 8.325 26.799 ( 0.091 -0.053 4.977) 4.978 27.168 ( -1.062 -0.594 -6.754) 6.862 29.973 ( 0.648 0.361 5.766) 5.813 30.398 ( -3.456 -1.805 -4.607) 6.035 30.489 ( 2.894 1.480 -6.395) 7.173 36.600 ( -5.900 -2.671 -2.696) 7.015 36.746 ( 6.173 2.512 -2.388) 7.079 37.341 ( 2.429 1.765 3.628) 4.709 37.872 ( -2.005 -1.097 5.423) 5.885 38.079 ( -0.262 -0.289 -4.312) 4.329 39.232 ( -12.683 -7.145 -13.487) 19.845 39.616 ( 6.905 3.166 -2.291) 7.934 39.867 ( 3.464 3.090 1.916) 5.022 40.173 ( 2.355 1.203 2.812) 3.860 41.015 ( -2.220 -1.595 -4.197) 5.008 42.107 ( -0.044 -0.144 13.126) 13.127 43.750 ( -4.072 -2.184 -11.249) 12.161 ======================= Grid point 97 (40/125) ======================= q-point: ( 0.33 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( -5.033 0.328 7.231) 8.816 4.328 ( 5.327 -0.118 28.891) 29.378 4.716 ( -0.496 -0.782 -2.442) 2.611 5.040 ( -7.805 -4.281 -19.809) 21.717 5.458 ( -4.388 -4.719 -3.254) 7.219 5.596 ( 2.329 -1.554 1.388) 3.125 5.953 ( 1.742 7.995 -9.595) 12.610 6.248 ( 12.215 8.220 -9.767) 17.668 6.814 ( -5.224 -5.615 -8.412) 11.384 7.233 ( 4.428 2.384 -3.550) 6.156 7.431 ( 1.751 0.636 18.204) 18.299 8.048 ( -3.307 1.195 13.182) 13.643 8.194 ( -2.352 -7.188 7.692) 10.787 8.630 ( -9.285 -2.590 -8.110) 12.597 8.988 ( -0.783 2.653 -3.197) 4.228 9.119 ( 0.735 3.130 2.983) 4.386 9.341 ( -0.063 3.242 -6.206) 7.002 9.416 ( 1.666 -16.138 -11.068) 19.640 9.747 ( -2.632 12.826 0.936) 13.127 9.961 ( -2.667 -4.390 1.093) 5.252 10.404 ( 8.724 1.950 -6.220) 10.890 10.501 ( 1.652 0.174 6.903) 7.100 10.796 ( 0.822 0.665 6.385) 6.472 11.440 ( -6.076 -5.044 2.578) 8.307 11.798 ( -4.968 7.860 4.907) 10.514 12.030 ( 8.470 -8.312 -8.049) 14.339 12.359 ( -5.105 -3.820 -0.539) 6.399 12.536 ( -4.683 6.780 13.926) 16.181 12.722 ( 6.889 1.337 4.564) 8.371 12.958 ( 1.515 -0.568 -3.089) 3.487 13.058 ( 1.999 -1.219 -0.877) 2.500 13.563 ( -3.163 6.187 1.330) 7.074 13.898 ( 4.828 -2.534 0.408) 5.468 14.515 ( 3.875 1.578 -14.266) 14.867 15.055 ( 10.136 5.025 -12.358) 16.754 15.403 ( 2.307 0.730 -4.728) 5.311 16.049 ( 0.182 1.263 -11.930) 11.998 16.417 ( -0.864 -0.941 7.914) 8.016 16.484 ( -5.591 -1.824 13.981) 15.167 16.871 ( -1.110 0.413 0.046) 1.186 17.334 ( -6.926 -2.940 5.051) 9.063 17.512 ( 2.514 -1.533 -0.795) 3.050 17.804 ( 0.956 0.803 5.187) 5.335 18.407 ( -4.052 -2.497 0.570) 4.793 18.547 ( -5.857 -2.146 -2.211) 6.618 19.005 ( -1.672 -2.731 2.266) 3.923 19.156 ( 0.939 2.519 1.439) 3.049 19.344 ( 0.763 -0.120 10.719) 10.747 20.007 ( 1.768 0.673 1.249) 2.267 20.368 ( -6.911 -4.337 -4.217) 9.184 20.693 ( -0.142 -0.961 2.129) 2.341 21.037 ( 8.493 6.208 -8.405) 13.465 21.210 ( 2.294 0.334 -6.667) 7.059 21.618 ( -3.068 -0.977 3.156) 4.508 21.752 ( -1.776 0.505 0.563) 1.931 21.970 ( -2.014 1.256 1.927) 3.057 22.057 ( 5.765 -0.582 3.123) 6.582 26.672 ( -3.291 -2.088 7.995) 8.894 26.876 ( -0.133 0.300 2.101) 2.127 27.021 ( 0.246 -0.061 -6.435) 6.440 30.107 ( -0.925 -0.497 4.400) 4.523 30.233 ( -0.718 -0.495 -3.406) 3.515 30.464 ( 2.844 1.708 -3.669) 4.946 36.472 ( -3.088 -1.313 -4.779) 5.839 36.755 ( 5.601 2.219 -5.322) 8.038 37.434 ( 3.468 2.720 1.954) 4.821 37.959 ( -6.317 -2.916 7.173) 9.993 38.035 ( 0.350 -0.295 2.115) 2.164 38.860 ( -4.679 -3.529 -15.369) 16.448 39.651 ( 2.663 1.600 -0.567) 3.158 39.924 ( 4.849 2.118 -2.089) 5.689 40.245 ( 1.607 2.533 1.615) 3.407 40.913 ( -1.943 -1.849 -3.774) 4.630 42.270 ( -3.339 -1.333 8.157) 8.914 43.503 ( -1.297 -1.177 -12.888) 13.007 ======================= Grid point 98 (41/125) ======================= q-point: (-0.56 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( -19.419 -6.498 -17.243) 26.770 4.144 ( -22.859 -15.986 -25.516) 37.805 4.739 ( 5.112 1.460 0.448) 5.335 4.975 ( 2.867 -0.728 -2.371) 3.791 5.414 ( -3.651 -2.155 0.956) 4.346 5.668 ( 9.423 -2.319 4.882) 10.863 6.015 ( 4.230 9.367 5.347) 11.586 6.187 ( 12.046 9.255 -12.521) 19.686 6.683 ( -3.749 -0.025 -1.707) 4.120 7.192 ( 0.676 0.913 -6.096) 6.201 7.574 ( -2.867 -3.144 -2.090) 4.741 8.091 ( -6.578 -0.436 -1.893) 6.859 8.254 ( -11.342 -8.360 7.195) 15.821 8.429 ( 2.433 -4.081 3.334) 5.805 8.910 ( 0.958 5.762 -13.213) 14.447 9.058 ( 0.490 12.056 5.931) 13.445 9.300 ( 8.430 -7.154 -3.033) 11.465 9.511 ( 0.121 -3.403 11.975) 12.449 9.850 ( 3.056 8.158 5.986) 10.570 10.102 ( 1.025 -0.340 13.776) 13.818 10.392 ( 8.884 4.595 -4.165) 10.834 10.604 ( -5.432 -2.499 2.710) 6.565 10.894 ( 3.133 -1.740 6.766) 7.657 11.420 ( -5.611 -7.780 6.023) 11.326 11.805 ( 1.128 10.493 -10.595) 14.954 11.884 ( -5.447 -7.115 -4.613) 10.078 12.278 ( -1.683 -5.026 -3.339) 6.265 12.473 ( -6.205 -9.514 -4.195) 12.109 12.749 ( 0.421 6.491 -1.293) 6.632 12.924 ( -2.710 6.562 0.576) 7.123 13.343 ( 10.855 0.124 10.718) 15.255 13.720 ( 3.578 1.671 11.444) 12.106 14.008 ( -0.785 3.330 5.990) 6.898 14.388 ( 10.753 3.561 -4.760) 12.287 15.041 ( 17.489 7.660 -10.966) 22.018 15.344 ( 0.906 -2.213 -4.922) 5.472 15.877 ( -0.602 2.881 -8.658) 9.144 16.524 ( -5.544 -4.042 9.040) 11.349 16.652 ( -6.589 -4.024 11.037) 13.470 16.819 ( -3.278 1.757 1.084) 3.874 17.264 ( -2.784 -2.839 -1.475) 4.241 17.543 ( 1.075 2.406 -0.207) 2.643 17.941 ( -2.776 -1.121 10.011) 10.449 18.340 ( -6.000 -2.889 -0.768) 6.703 18.454 ( -1.903 -1.539 -3.635) 4.382 18.991 ( -1.977 -3.587 0.269) 4.105 19.196 ( -1.405 3.204 1.593) 3.845 19.510 ( -1.930 -3.837 8.985) 9.959 20.034 ( -0.094 -0.174 -0.352) 0.404 20.239 ( 0.191 -2.149 -3.626) 4.220 20.643 ( -3.603 1.582 -4.202) 5.757 20.933 ( 9.989 2.251 -15.980) 18.979 21.177 ( 2.148 0.966 -0.535) 2.415 21.584 ( -4.215 -0.412 -1.229) 4.410 21.767 ( -3.460 -0.704 4.178) 5.470 21.991 ( -1.887 1.178 1.238) 2.546 22.224 ( 6.577 -0.276 8.731) 10.934 26.706 ( -5.297 -4.861 3.048) 7.810 26.795 ( -3.758 0.284 -4.413) 5.804 27.051 ( 3.936 1.572 1.799) 4.605 30.044 ( -2.773 -1.595 -0.466) 3.233 30.278 ( 0.600 0.254 -2.479) 2.563 30.473 ( 4.949 3.126 1.565) 6.059 36.386 ( 0.702 0.373 -3.216) 3.313 36.701 ( 4.735 2.643 -7.948) 9.622 37.488 ( 4.308 3.075 -2.504) 5.855 37.913 ( -8.116 -4.248 -0.068) 9.160 38.125 ( -3.649 -1.367 5.672) 6.881 38.651 ( 4.271 -0.424 -4.803) 6.441 39.667 ( -0.017 1.580 -0.315) 1.611 39.902 ( 5.984 -0.827 -6.955) 9.212 40.290 ( 0.562 5.062 0.432) 5.111 40.843 ( 0.091 -0.633 -2.330) 2.417 42.303 ( -8.836 -2.339 3.894) 9.935 43.286 ( 5.190 0.173 -14.310) 15.223 ======================= Grid point 99 (42/125) ======================= q-point: (-0.44 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -27.736 -16.977 -16.972) 36.682 3.307 ( -32.817 -16.436 -27.550) 45.892 4.603 ( -6.905 -9.557 -34.032) 36.017 4.751 ( 4.035 -0.747 -9.608) 10.447 5.178 ( -8.591 1.266 -14.668) 17.046 5.766 ( -2.795 -6.072 -0.302) 6.691 6.199 ( 1.809 5.700 5.931) 8.422 6.383 ( 18.435 8.348 8.438) 21.926 6.620 ( -0.942 1.956 -0.829) 2.324 7.101 ( 1.092 6.318 -4.172) 7.650 7.476 ( 6.269 -0.391 -2.506) 6.763 7.993 ( -1.337 -3.124 0.955) 3.529 8.298 ( -4.147 -0.263 6.860) 8.020 8.555 ( -3.866 -2.289 11.963) 12.779 8.900 ( 2.240 4.181 2.494) 5.359 9.242 ( 4.159 -0.358 1.884) 4.580 9.328 ( 5.628 8.247 3.280) 10.510 9.685 ( -0.644 -2.753 12.323) 12.643 10.107 ( 6.473 7.463 10.054) 14.095 10.221 ( -1.368 -3.278 -10.282) 10.878 10.344 ( 3.291 -2.295 -1.500) 4.283 10.698 ( 3.056 7.426 11.735) 14.219 11.098 ( 10.516 -3.065 7.372) 13.203 11.336 ( -12.387 -7.919 -11.140) 18.446 11.524 ( -5.753 -6.366 3.819) 9.392 11.932 ( -1.956 4.151 5.413) 7.096 12.087 ( -0.426 1.853 -8.833) 9.035 12.448 ( 0.509 -4.174 1.955) 4.637 12.818 ( 1.224 2.953 5.139) 6.052 12.910 ( 0.073 6.928 -2.731) 7.447 13.520 ( 5.694 -3.203 1.565) 6.718 13.776 ( 1.149 -3.785 -6.176) 7.334 14.185 ( 4.150 9.439 9.912) 14.303 14.638 ( 7.342 4.545 14.003) 16.451 15.024 ( 12.298 5.947 -15.343) 20.543 15.234 ( 4.064 -5.666 -4.321) 8.203 15.801 ( 0.389 5.471 -2.802) 6.159 16.531 ( -8.089 -7.986 3.431) 11.874 16.640 ( -7.338 1.346 0.219) 7.463 16.929 ( -2.754 -0.393 8.801) 9.230 17.245 ( 1.695 -5.168 0.263) 5.445 17.596 ( -2.091 4.691 7.482) 9.075 18.011 ( -8.269 -1.043 3.901) 9.202 18.225 ( -3.239 -4.591 -5.513) 7.871 18.362 ( -2.350 -0.195 -3.322) 4.074 18.958 ( 0.176 -3.397 -0.277) 3.413 19.187 ( -2.827 0.838 -2.458) 3.839 19.544 ( -7.236 -2.248 3.550) 8.368 19.993 ( -0.293 -1.366 -3.125) 3.423 20.241 ( 7.721 0.004 -0.567) 7.742 20.534 ( -2.185 2.174 -6.672) 7.349 20.786 ( 7.108 1.737 -10.830) 13.070 21.215 ( 0.410 -0.316 3.025) 3.069 21.516 ( -3.244 -0.098 -1.461) 3.559 21.819 ( -2.825 -2.236 5.758) 6.792 21.976 ( -1.929 -0.020 -0.932) 2.142 22.463 ( 5.084 0.909 12.271) 13.313 26.643 ( -3.226 -2.869 -1.109) 4.457 26.729 ( -5.988 -1.208 1.441) 6.277 27.076 ( 1.892 0.046 -3.358) 3.854 30.076 ( -0.836 -1.394 2.861) 3.290 30.163 ( 0.498 1.838 -5.996) 6.291 30.586 ( 5.191 2.808 1.489) 6.087 36.385 ( 3.451 1.279 -0.010) 3.680 36.625 ( 4.411 4.217 -7.730) 9.848 37.435 ( 4.635 2.636 -11.794) 12.944 37.774 ( -9.751 -5.367 -1.233) 11.198 38.132 ( -0.204 -0.422 -0.181) 0.503 38.750 ( 4.146 -0.739 8.001) 9.042 39.639 ( -2.390 1.742 -3.241) 4.388 39.820 ( 7.346 -2.107 -7.828) 10.940 40.342 ( 0.007 6.778 1.956) 7.055 40.829 ( 2.342 1.410 -1.182) 2.978 42.220 ( -13.554 -3.513 1.848) 14.124 43.106 ( 10.988 0.794 -16.990) 20.249 ======================= Grid point 100 (43/125) ======================= q-point: (-0.33 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -31.216 -21.930 -30.102) 48.595 2.563 ( -46.103 -23.391 -0.440) 51.700 3.425 ( -32.737 -20.532 -58.281) 69.928 4.704 ( 5.280 2.228 -4.221) 7.118 4.951 ( -2.410 0.776 -6.387) 6.870 5.598 ( -9.910 -5.540 -4.018) 12.043 6.383 ( 4.734 3.051 6.213) 8.386 6.582 ( 7.885 0.969 1.825) 8.151 6.774 ( 4.181 5.235 6.955) 9.657 7.192 ( 14.248 13.588 -2.778) 19.883 7.561 ( 10.566 -0.328 2.485) 10.859 8.074 ( -0.184 2.521 7.131) 7.565 8.441 ( 0.563 -0.120 12.069) 12.082 8.692 ( -4.343 0.563 7.732) 8.886 8.934 ( 2.323 -1.446 -4.126) 4.951 9.288 ( -0.742 -4.294 7.871) 8.997 9.516 ( 1.343 9.515 5.805) 11.227 9.825 ( 5.489 1.778 -17.309) 18.245 9.933 ( -1.634 -0.423 4.589) 4.890 10.233 ( -3.105 -1.910 -0.735) 3.719 10.399 ( 2.363 -2.342 0.183) 3.332 10.780 ( -7.493 -7.182 -6.589) 12.294 11.132 ( 1.245 7.407 11.055) 13.366 11.328 ( 7.132 5.367 2.181) 9.188 11.652 ( 7.335 -9.572 9.527) 15.369 11.906 ( -0.666 -0.464 -0.014) 0.812 12.133 ( 0.393 11.438 0.877) 11.478 12.449 ( 3.581 -1.908 -0.489) 4.087 12.921 ( -0.327 6.852 1.480) 7.017 12.983 ( 4.382 -0.912 7.181) 8.461 13.491 ( 0.981 4.810 -6.511) 8.154 13.699 ( 3.760 -9.336 -0.260) 10.068 14.390 ( 0.165 0.704 7.108) 7.144 14.826 ( 5.606 0.004 -11.400) 12.703 14.926 ( -2.435 8.242 7.395) 11.338 15.291 ( 7.775 -1.985 5.177) 9.550 15.831 ( 3.079 5.095 0.031) 5.953 16.437 ( -2.913 -4.461 -4.165) 6.763 16.532 ( -11.344 -0.292 -2.497) 11.620 16.919 ( -2.296 -7.445 -7.781) 11.011 17.246 ( 1.026 1.877 4.024) 4.558 17.746 ( -8.443 -1.161 5.034) 9.898 17.978 ( -1.931 -5.027 6.604) 8.521 18.042 ( -4.419 -2.313 -6.877) 8.495 18.292 ( -1.898 2.748 -5.010) 6.021 18.931 ( -0.019 -2.792 -1.816) 3.330 19.127 ( -0.920 0.284 0.087) 0.967 19.504 ( -5.493 -0.185 -0.235) 5.501 19.945 ( 0.507 1.454 -1.461) 2.123 20.322 ( 7.226 -2.137 -0.648) 7.563 20.419 ( 0.403 5.104 -5.119) 7.240 20.717 ( 2.478 -0.270 -3.522) 4.315 21.275 ( -1.624 -2.651 5.471) 6.293 21.490 ( 0.439 1.025 -0.557) 1.247 21.858 ( -1.482 -1.382 1.858) 2.750 21.943 ( -2.303 -1.227 0.441) 2.647 22.751 ( 4.362 1.540 14.951) 15.650 26.597 ( -1.632 -1.044 -0.701) 2.061 26.708 ( -5.835 -1.199 4.230) 7.306 26.977 ( -1.054 -2.091 -7.486) 7.844 29.899 ( -0.448 0.016 -13.995) 14.002 30.315 ( 1.500 1.532 12.522) 12.704 30.625 ( 4.429 2.144 -4.201) 6.470 36.444 ( 3.963 1.306 0.728) 4.235 36.593 ( 4.726 5.455 -3.502) 8.022 37.216 ( 1.054 -0.165 -15.794) 15.830 37.649 ( -6.208 -3.687 -2.237) 7.559 38.133 ( 0.345 -0.768 0.478) 0.968 38.884 ( 1.550 -1.335 3.007) 3.637 39.550 ( -2.452 0.157 -3.510) 4.284 39.771 ( 6.626 0.433 -5.567) 8.665 40.448 ( 1.058 6.400 5.584) 8.559 40.851 ( 2.623 2.313 -0.579) 3.544 42.106 ( -13.851 -4.386 4.418) 15.185 42.894 ( 10.854 0.332 -21.257) 23.870 ======================= Grid point 101 (44/125) ======================= q-point: (-0.22 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -36.813 -21.095 -13.779) 44.610 1.799 ( -44.963 -25.885 -26.459) 58.239 2.402 ( -55.218 -31.964 25.337) 68.649 4.729 ( 5.833 3.454 -0.995) 6.851 4.903 ( 0.616 0.285 0.825) 1.068 5.438 ( -10.358 -5.986 1.055) 12.010 6.521 ( 6.298 4.047 1.397) 7.615 6.665 ( 3.823 1.231 -0.017) 4.016 6.857 ( 3.078 2.195 -3.628) 5.240 7.396 ( 14.276 11.749 2.454) 18.652 7.768 ( 17.058 0.522 2.941) 17.317 8.120 ( -5.792 4.377 -4.063) 8.319 8.549 ( 0.713 -3.734 -5.456) 6.650 8.721 ( -7.060 -2.136 7.628) 10.611 8.924 ( 6.712 5.157 -0.623) 8.488 9.363 ( -0.130 2.915 -8.399) 8.892 9.602 ( 1.035 -5.931 8.269) 10.229 9.687 ( 2.448 0.658 4.553) 5.211 10.003 ( -7.126 0.993 -3.912) 8.189 10.117 ( -0.420 -1.024 2.288) 2.541 10.411 ( -3.235 -3.052 4.712) 6.479 10.555 ( -10.264 -5.768 -4.870) 12.741 11.369 ( 12.606 2.486 -5.674) 14.046 11.408 ( 1.427 8.363 3.627) 9.226 11.784 ( 11.291 -2.545 -3.260) 12.025 11.866 ( 2.451 7.877 -9.520) 12.597 12.278 ( 2.844 4.846 9.510) 11.046 12.492 ( 8.526 -1.290 0.393) 8.631 12.916 ( -3.045 3.113 -2.491) 5.017 13.171 ( -3.994 -4.331 7.819) 9.790 13.437 ( 3.575 7.379 -1.155) 8.280 13.754 ( 3.726 -5.178 7.978) 10.215 14.419 ( -5.636 -1.260 -4.002) 7.026 14.742 ( -0.875 -1.495 -1.569) 2.337 15.026 ( 8.993 4.727 1.454) 10.264 15.539 ( 0.952 4.735 14.504) 15.287 15.816 ( 2.506 -0.616 -8.568) 8.948 16.291 ( -0.302 -4.134 -6.213) 7.469 16.354 ( -9.253 -1.949 -3.338) 10.028 16.710 ( -11.314 -6.562 4.561) 13.851 17.406 ( 1.172 2.907 7.619) 8.238 17.562 ( -4.837 -5.478 -8.428) 11.155 17.894 ( 1.178 3.210 -8.590) 9.246 18.069 ( -2.273 -3.745 -0.945) 4.482 18.234 ( -3.199 -1.366 5.430) 6.448 18.889 ( -1.097 -0.813 -0.542) 1.469 19.156 ( 0.979 0.816 0.591) 1.405 19.430 ( -0.583 -0.028 -4.988) 5.022 19.968 ( 0.435 0.092 2.441) 2.481 20.287 ( 3.128 1.961 -4.896) 6.132 20.492 ( 3.896 1.391 5.280) 6.708 20.711 ( -0.978 0.255 1.058) 1.463 21.342 ( -1.866 -1.893 4.186) 4.959 21.483 ( 1.617 1.179 -1.613) 2.570 21.840 ( 0.345 -0.161 -2.308) 2.339 21.925 ( -3.479 -1.634 1.038) 3.982 22.994 ( 7.065 4.326 -1.500) 8.419 26.562 ( -1.546 -0.532 -0.933) 1.882 26.733 ( 0.257 -2.848 -2.445) 3.763 26.825 ( -5.737 -0.723 0.665) 5.820 29.712 ( -3.052 -1.759 0.141) 3.525 30.512 ( 4.391 2.463 -2.757) 5.741 30.584 ( 0.972 0.633 3.101) 3.311 36.486 ( 4.652 2.552 -0.740) 5.358 36.671 ( 3.170 2.002 4.593) 5.929 37.021 ( -4.815 -2.808 1.856) 5.875 37.531 ( -4.797 -2.739 -1.302) 5.675 38.136 ( -0.528 -0.404 0.085) 0.670 38.860 ( -0.046 0.167 -4.093) 4.097 39.492 ( -1.807 -1.071 -0.921) 2.294 39.786 ( 4.108 2.197 1.479) 4.887 40.586 ( 4.345 2.615 2.135) 5.502 40.877 ( 0.980 0.393 0.704) 1.269 42.055 ( -6.083 -3.679 -2.792) 7.638 42.675 ( 0.718 0.700 0.260) 1.036 ======================= Grid point 102 (45/125) ======================= q-point: (-0.11 0.11 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -23.504 -9.970 36.705) 44.711 1.478 ( -24.615 -16.791 46.630) 55.338 2.621 ( -41.674 -24.023 76.178) 90.094 4.816 ( 5.410 2.890 2.308) 6.553 4.970 ( 0.865 1.230 5.146) 5.361 5.372 ( -9.508 -6.186 6.208) 12.931 6.563 ( 4.705 3.882 -5.052) 7.920 6.697 ( 3.139 -1.238 0.054) 3.375 6.801 ( 2.989 3.731 -7.349) 8.767 7.573 ( 9.796 0.368 -6.244) 11.623 7.769 ( -1.340 4.847 -12.365) 13.348 8.041 ( 9.264 3.202 -4.770) 10.901 8.386 ( -2.411 0.791 -10.493) 10.795 8.757 ( -5.177 -0.450 3.301) 6.156 8.952 ( 6.247 0.128 -5.677) 8.442 9.214 ( 3.277 1.429 -7.251) 8.085 9.603 ( -9.512 -5.779 -2.118) 11.330 9.935 ( 4.296 1.801 3.447) 5.795 9.964 ( -0.625 -2.842 19.856) 20.068 10.137 ( -0.193 0.016 -5.373) 5.376 10.414 ( -2.705 -0.422 2.376) 3.625 10.513 ( -7.176 -1.024 15.929) 17.501 11.232 ( 10.075 -2.660 -20.793) 23.258 11.408 ( -1.038 1.335 -11.068) 11.196 11.633 ( -0.014 6.410 -10.508) 12.308 11.961 ( 11.856 12.431 -1.896) 17.283 12.379 ( 10.549 -0.647 -9.430) 14.164 12.622 ( 5.401 -5.966 5.966) 10.018 12.870 ( -6.436 5.938 -0.423) 8.768 13.010 ( -10.986 -7.787 -3.401) 13.889 13.516 ( -7.234 -0.786 -6.758) 9.931 13.825 ( -11.212 -1.025 -2.664) 11.570 14.185 ( 5.173 0.659 -4.358) 6.796 14.790 ( 2.183 -3.384 13.039) 13.646 15.168 ( 0.187 -4.075 -6.399) 7.589 15.512 ( 0.228 8.301 10.238) 13.182 15.942 ( 4.470 -2.363 -1.423) 5.253 16.242 ( 0.470 3.058 0.908) 3.225 16.348 ( 3.447 -1.091 6.266) 7.235 16.905 ( 1.273 4.426 15.172) 15.856 17.366 ( -0.361 -1.732 -0.993) 2.029 17.470 ( -0.250 -1.425 -9.848) 9.953 17.913 ( 2.557 5.450 8.132) 10.118 17.959 ( -1.472 -0.879 -1.270) 2.134 18.310 ( 0.901 -4.206 5.890) 7.294 18.883 ( -0.621 0.474 0.935) 1.219 19.133 ( -0.799 2.035 -4.112) 4.657 19.309 ( 0.434 -4.554 -7.921) 9.147 20.011 ( 1.418 -4.073 2.194) 4.839 20.253 ( -5.824 2.055 -3.197) 6.954 20.547 ( -2.032 -0.700 -3.836) 4.397 20.755 ( -1.606 0.896 11.542) 11.688 21.220 ( -5.933 -3.683 -7.001) 9.888 21.604 ( 6.220 2.910 5.099) 8.553 21.800 ( 0.317 1.260 -2.141) 2.504 21.884 ( -2.073 -1.082 -1.306) 2.678 22.681 ( -9.610 -4.846 -24.644) 26.892 26.526 ( 0.442 0.627 -4.971) 5.030 26.601 ( -1.357 -2.939 -1.279) 3.480 26.939 ( -1.570 0.382 11.404) 11.517 29.974 ( 8.314 4.543 18.364) 20.664 30.360 ( 1.621 0.654 -13.104) 13.220 30.716 ( 1.336 0.816 4.666) 4.922 36.537 ( 3.251 2.837 -0.557) 4.351 36.747 ( 0.283 -2.797 2.947) 4.073 37.215 ( -1.973 0.309 7.443) 7.706 37.730 ( 13.442 7.250 18.972) 24.355 38.142 ( 0.452 0.706 3.305) 3.410 38.911 ( 11.344 9.532 7.291) 16.514 39.487 ( 0.174 -0.925 2.945) 3.091 39.915 ( 1.874 5.323 5.575) 7.932 40.551 ( 0.628 -5.736 -9.692) 11.280 40.929 ( 3.775 -0.726 4.996) 6.304 41.701 ( -15.739 -10.006 -10.312) 21.311 43.283 ( 25.638 19.010 36.846) 48.747 ======================= Grid point 105 (46/125) ======================= q-point: ( 0.22 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 1.072 -1.058 17.063) 17.130 4.269 ( -1.000 4.903 31.993) 32.381 4.724 ( -0.186 0.211 -2.354) 2.371 5.150 ( 0.200 -5.961 -22.199) 22.986 5.502 ( -0.794 -2.214 -9.305) 9.598 5.592 ( -1.864 5.202 0.610) 5.560 5.921 ( 4.499 -3.566 -7.353) 9.329 6.083 ( -1.200 7.958 -10.494) 13.224 6.915 ( -0.682 -7.744 -10.020) 12.682 7.144 ( -0.143 1.078 -3.961) 4.107 7.425 ( -0.021 5.032 20.196) 20.813 8.057 ( 0.721 -1.087 16.023) 16.076 8.242 ( -1.375 -1.832 9.124) 9.407 8.747 ( 0.574 -3.662 -5.484) 6.619 8.978 ( 0.269 -2.818 -5.071) 5.807 9.063 ( 1.102 3.874 0.579) 4.069 9.334 ( 1.298 -11.141 -12.020) 16.441 9.512 ( -8.352 -2.997 -3.859) 9.676 9.698 ( 7.989 9.849 -3.834) 13.248 10.020 ( -1.048 -0.386 -3.359) 3.540 10.279 ( -1.079 4.217 -10.030) 10.934 10.509 ( -0.264 1.379 12.853) 12.929 10.788 ( 0.205 -0.288 10.144) 10.150 11.525 ( -1.143 -3.681 -4.899) 6.234 11.759 ( 4.049 -6.400 11.447) 13.726 12.045 ( -4.606 7.412 -9.251) 12.718 12.417 ( -2.032 -10.588 4.786) 11.796 12.542 ( 8.419 2.528 12.433) 15.226 12.636 ( -3.805 8.968 7.605) 12.359 12.889 ( -0.559 4.944 5.338) 7.298 13.116 ( -1.329 -4.380 -12.610) 13.415 13.593 ( 3.850 -4.660 2.648) 6.600 13.843 ( -2.635 12.932 -3.137) 13.565 14.472 ( -0.275 2.111 -16.639) 16.775 14.946 ( -0.137 3.468 -16.387) 16.751 15.390 ( -0.141 0.043 -1.566) 1.573 16.041 ( 0.277 0.346 -12.122) 12.130 16.420 ( 0.139 -3.041 9.071) 9.568 16.551 ( 0.072 -2.174 15.232) 15.387 16.873 ( 0.329 0.242 1.643) 1.693 17.404 ( 1.162 -3.680 5.896) 7.046 17.496 ( -1.785 -1.802 -4.888) 5.507 17.788 ( 0.162 1.549 7.515) 7.674 18.437 ( -0.110 -2.726 0.838) 2.853 18.626 ( 0.495 -3.698 -4.887) 6.148 19.039 ( -1.272 -2.119 3.477) 4.266 19.117 ( 1.231 -1.133 2.123) 2.703 19.340 ( -0.120 2.734 11.522) 11.842 19.989 ( -0.105 1.055 1.125) 1.546 20.473 ( -0.019 -6.774 -4.996) 8.417 20.689 ( -0.678 1.457 4.317) 4.607 20.922 ( 0.687 6.653 -10.066) 12.086 21.192 ( -0.204 1.327 -6.324) 6.465 21.640 ( 0.120 -6.368 4.286) 7.677 21.777 ( 0.587 4.382 1.958) 4.836 21.970 ( 1.282 -0.088 -2.001) 2.378 22.017 ( -1.801 1.601 5.201) 5.732 26.708 ( -0.049 -2.664 10.152) 10.496 26.872 ( 0.095 0.397 3.524) 3.547 27.021 ( -0.048 -0.584 -9.330) 9.348 30.114 ( 0.004 -0.273 8.545) 8.550 30.248 ( -0.011 -1.645 -7.855) 8.025 30.430 ( 0.012 3.073 -3.991) 5.037 36.518 ( 0.277 -2.475 -7.132) 7.555 36.685 ( -0.432 3.521 -4.059) 5.391 37.397 ( 0.191 2.110 2.613) 3.364 38.017 ( 0.847 -1.219 0.194) 1.497 38.034 ( -0.777 -2.452 10.358) 10.672 38.924 ( -0.238 -5.171 -20.626) 21.265 39.612 ( -0.001 3.706 0.952) 3.827 39.873 ( -0.074 1.440 -1.038) 1.776 40.227 ( 0.357 3.849 1.764) 4.249 40.937 ( -0.196 -1.903 -4.737) 5.109 42.302 ( 0.147 -1.124 9.656) 9.722 43.519 ( -0.100 -3.449 -15.075) 15.464 ======================= Grid point 106 (47/125) ======================= q-point: (-0.67 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( -6.875 -13.805 -11.226) 19.075 4.563 ( -15.395 -4.497 -9.601) 18.693 4.671 ( -0.457 1.428 -3.677) 3.971 4.950 ( -1.740 2.650 6.644) 7.361 5.333 ( 11.539 3.687 -0.734) 12.136 5.596 ( -2.063 -7.289 -2.525) 7.986 5.873 ( 8.298 6.251 -12.728) 16.429 6.047 ( 2.003 7.942 5.199) 9.701 6.777 ( -4.353 -4.181 -0.972) 6.113 7.108 ( 5.313 3.307 -2.685) 6.810 7.644 ( -2.826 -0.723 -0.165) 2.921 8.161 ( -0.458 -6.674 -8.736) 11.004 8.369 ( -2.505 -2.810 16.989) 17.401 8.550 ( -11.641 -2.828 -6.467) 13.614 8.815 ( 7.361 -2.370 -8.486) 11.481 9.014 ( 7.650 4.205 -9.143) 12.641 9.222 ( -3.495 3.318 2.405) 5.386 9.554 ( -3.750 -1.543 13.209) 13.817 9.789 ( 4.776 7.886 -0.383) 9.227 10.055 ( 2.272 -2.036 8.129) 8.683 10.248 ( 3.412 5.818 1.585) 6.928 10.707 ( -3.312 -1.159 9.709) 10.324 10.889 ( -1.166 -4.943 1.050) 5.186 11.442 ( 1.450 -1.362 0.986) 2.220 11.775 ( 0.486 -1.650 -9.790) 9.940 12.019 ( -5.869 -1.356 8.467) 10.391 12.316 ( -2.808 -8.192 -4.001) 9.540 12.552 ( -0.654 -9.776 -9.518) 13.660 12.723 ( 1.642 3.799 -5.089) 6.559 13.042 ( -7.264 14.860 3.086) 16.826 13.112 ( 10.622 6.049 9.802) 15.668 13.708 ( -0.753 -0.783 12.323) 12.371 13.995 ( 2.739 8.820 6.279) 11.168 14.222 ( 3.452 4.511 -9.189) 10.803 14.762 ( 8.216 5.785 -12.226) 15.826 15.376 ( -2.079 -3.439 0.220) 4.024 15.869 ( 1.016 1.704 -9.177) 9.389 16.584 ( -1.121 -2.265 11.281) 11.560 16.748 ( -3.005 -6.073 5.025) 8.436 16.872 ( -1.184 0.130 8.002) 8.091 17.322 ( -2.273 -4.032 -6.150) 7.697 17.502 ( 2.105 0.989 1.151) 2.595 17.978 ( -0.964 -1.412 13.024) 13.136 18.415 ( -1.420 -4.809 -0.353) 5.027 18.507 ( -2.518 -1.199 -5.463) 6.134 19.035 ( -2.632 -4.941 0.432) 5.615 19.182 ( 2.773 0.303 2.525) 3.763 19.536 ( -1.357 1.322 9.972) 10.150 20.017 ( 1.050 0.750 0.333) 1.333 20.303 ( -4.793 -5.052 -7.466) 10.209 20.693 ( 1.942 -0.983 -5.006) 5.459 20.760 ( 3.335 7.627 -14.304) 16.550 21.146 ( 0.852 1.970 -0.219) 2.158 21.631 ( -0.636 -6.793 1.220) 6.931 21.852 ( -3.937 3.585 3.020) 6.121 22.003 ( 2.183 1.528 2.210) 3.461 22.116 ( 1.775 0.404 7.405) 7.625 26.774 ( -1.961 -6.642 0.207) 6.929 26.883 ( -4.570 1.189 -1.316) 4.902 26.967 ( 4.474 1.030 2.821) 5.389 30.085 ( -1.139 -4.438 -1.881) 4.953 30.295 ( -2.385 2.909 1.488) 4.045 30.377 ( 4.633 3.681 -2.155) 6.298 36.390 ( -0.538 0.391 -5.790) 5.828 36.620 ( 2.688 2.407 -6.862) 7.753 37.431 ( 1.575 2.655 -1.939) 3.645 37.987 ( -0.801 -0.819 -1.008) 1.526 38.227 ( -4.197 -7.517 11.261) 14.175 38.597 ( 0.968 0.096 -10.974) 11.017 39.654 ( 1.012 1.541 1.164) 2.180 39.826 ( 1.478 1.622 -6.380) 6.747 40.271 ( 1.332 5.845 -0.402) 6.008 40.847 ( -0.428 -1.648 -3.785) 4.150 42.422 ( -2.800 -1.684 6.649) 7.408 43.222 ( 1.127 -3.641 -17.200) 17.617 ======================= Grid point 107 (48/125) ======================= q-point: (-0.56 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -14.640 -26.841 -16.072) 34.540 4.000 ( -34.972 -4.917 -14.712) 38.257 4.600 ( 3.467 -3.112 -10.967) 11.916 4.763 ( -3.898 -5.591 -19.809) 20.949 5.368 ( -8.700 3.667 -10.723) 14.287 5.730 ( 14.046 -1.610 12.975) 19.189 5.916 ( 13.190 2.490 4.112) 14.038 6.246 ( -0.319 14.537 7.027) 16.150 6.649 ( -0.925 -1.788 -7.866) 8.120 7.167 ( -5.875 3.674 -8.982) 11.344 7.331 ( 7.536 0.825 -12.173) 14.341 8.000 ( -0.429 -4.701 -2.131) 5.180 8.400 ( -6.576 1.376 2.691) 7.237 8.685 ( -5.861 -6.269 18.864) 20.724 8.789 ( 9.342 -2.381 -3.281) 10.183 9.059 ( 7.127 2.219 4.009) 8.473 9.312 ( -0.364 12.614 4.076) 13.261 9.760 ( -4.679 -2.792 13.490) 14.549 9.908 ( 10.076 6.220 4.662) 12.726 10.201 ( 3.188 -3.621 2.227) 5.314 10.352 ( -1.739 3.564 -1.401) 4.206 10.683 ( -2.916 0.722 2.139) 3.688 10.926 ( 7.507 -4.303 4.475) 9.741 11.468 ( 0.122 2.101 -7.286) 7.583 11.680 ( -8.926 -8.892 8.135) 14.997 11.957 ( -4.532 -1.215 -2.306) 5.228 12.152 ( -4.081 -2.447 -8.943) 10.130 12.407 ( 3.333 -12.017 0.654) 12.488 12.707 ( 6.890 6.097 -3.777) 9.945 13.044 ( -8.606 14.256 -1.714) 16.740 13.355 ( 8.986 4.404 2.365) 10.283 13.818 ( -3.130 1.715 -6.183) 7.139 14.064 ( 5.672 8.456 9.601) 13.995 14.505 ( 6.109 2.088 19.274) 20.326 14.738 ( 12.474 6.072 -6.027) 15.126 15.281 ( -4.733 -6.682 -3.260) 8.813 15.781 ( 1.758 4.663 -4.729) 6.870 16.627 ( -3.133 -4.309 -3.642) 6.454 16.750 ( -2.148 -2.040 6.165) 6.840 17.028 ( -7.110 -2.776 7.019) 10.369 17.226 ( 0.169 -3.402 0.281) 3.418 17.600 ( 1.654 1.462 10.888) 11.110 18.131 ( -3.617 -3.338 6.539) 8.184 18.300 ( -3.403 -5.969 -6.393) 9.385 18.412 ( -2.663 0.509 -3.222) 4.211 18.965 ( -1.098 -4.599 -2.198) 5.214 19.213 ( 0.310 -0.268 -1.644) 1.695 19.640 ( -3.171 -1.571 3.930) 5.289 19.992 ( 1.283 -0.734 -5.537) 5.731 20.143 ( 1.073 -0.009 -3.888) 4.034 20.573 ( -0.999 2.817 -9.324) 9.791 20.648 ( 5.811 3.986 -6.549) 9.620 21.200 ( 0.574 1.288 3.893) 4.140 21.592 ( -3.346 -4.694 -0.062) 5.765 21.878 ( -3.028 -0.915 3.581) 4.778 22.014 ( -1.880 0.023 -0.728) 2.016 22.342 ( 6.225 2.709 11.891) 13.692 26.687 ( -1.575 -4.523 -2.450) 5.380 26.843 ( -4.840 0.106 0.385) 4.856 27.036 ( 1.918 -0.701 0.449) 2.091 30.077 ( 0.355 -4.656 1.386) 4.871 30.188 ( -2.318 3.663 -5.418) 6.939 30.484 ( 4.825 3.858 1.618) 6.386 36.339 ( 1.389 2.130 -1.275) 2.845 36.541 ( 3.692 3.085 -7.239) 8.692 37.369 ( 2.113 2.159 -9.289) 9.768 37.933 ( -5.159 -2.871 -1.801) 6.172 38.161 ( -3.071 -4.836 -2.781) 6.368 38.684 ( 2.554 -1.179 11.811) 12.141 39.669 ( 0.405 -0.594 -2.121) 2.239 39.716 ( 2.210 2.092 -7.795) 8.368 40.322 ( 1.945 8.004 0.487) 8.251 40.792 ( 1.241 -0.479 -2.243) 2.608 42.448 ( -8.820 -2.048 3.793) 9.817 42.935 ( 6.089 -3.782 -17.424) 18.841 ======================= Grid point 108 (49/125) ======================= q-point: (-0.44 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -21.833 -34.969 -23.088) 47.250 3.436 ( -42.279 -14.580 -1.539) 44.749 3.999 ( -23.368 -3.678 -34.759) 42.045 4.606 ( 4.164 -0.409 -3.345) 5.357 5.081 ( -11.846 6.116 -11.473) 17.588 5.791 ( -8.841 -4.435 -0.301) 9.896 6.273 ( 16.193 -0.614 11.364) 19.792 6.347 ( 7.251 0.568 -1.660) 7.460 6.674 ( 5.286 11.200 3.407) 12.845 6.926 ( 12.418 7.146 -10.824) 17.956 7.423 ( 2.387 3.278 0.603) 4.100 8.046 ( 2.499 -2.000 8.393) 8.983 8.449 ( -1.639 2.767 6.792) 7.515 8.758 ( 7.563 -4.608 -4.650) 10.003 8.885 ( -5.248 -3.642 9.596) 11.528 9.246 ( 3.527 -0.686 8.811) 9.515 9.468 ( 3.304 10.082 4.474) 11.514 9.834 ( -5.440 -0.273 -8.844) 10.387 9.968 ( -0.601 2.343 -1.936) 3.098 10.225 ( 5.659 2.464 7.391) 9.629 10.327 ( 0.861 -4.725 1.930) 5.176 10.829 ( 2.709 2.220 2.433) 4.265 11.064 ( 6.081 -2.911 4.808) 8.281 11.311 ( -7.627 4.243 -0.531) 8.744 11.602 ( 0.587 -6.483 -5.437) 8.482 11.930 ( -2.467 -1.803 -1.213) 3.287 12.092 ( 2.050 -0.497 5.298) 5.702 12.375 ( 4.690 -4.954 -4.091) 7.955 12.802 ( 10.513 5.061 0.626) 11.684 13.020 ( -4.676 8.550 0.150) 9.746 13.447 ( 1.522 10.286 -1.027) 10.449 13.708 ( -3.347 -3.901 0.018) 5.140 14.328 ( 4.927 2.748 7.908) 9.714 14.693 ( 6.980 2.380 -1.722) 7.573 14.930 ( 2.864 -2.057 7.353) 8.155 15.226 ( -0.832 1.537 8.471) 8.649 15.780 ( 2.161 4.855 -1.408) 5.498 16.487 ( -2.600 -3.008 -6.807) 7.883 16.721 ( -6.481 -7.052 -2.257) 9.840 16.982 ( -4.242 -0.377 -2.494) 4.936 17.250 ( -1.505 1.408 4.472) 4.924 17.884 ( -4.107 -4.041 14.384) 15.495 17.999 ( -1.117 -9.408 -6.365) 11.414 18.143 ( -5.386 -0.516 -7.431) 9.192 18.337 ( -2.605 2.965 -3.148) 5.048 18.920 ( 0.543 -3.265 -0.285) 3.322 19.153 ( -1.101 0.252 -2.843) 3.059 19.575 ( -1.629 -3.641 -5.857) 7.086 19.934 ( 0.363 2.870 -0.872) 3.021 20.180 ( 5.830 -0.235 1.261) 5.969 20.420 ( 0.246 5.469 -9.106) 10.625 20.673 ( 1.999 1.288 1.951) 3.076 21.281 ( 0.522 -0.463 4.151) 4.210 21.528 ( -3.807 -3.353 0.092) 5.074 21.880 ( -0.771 -1.590 -0.895) 1.981 21.991 ( -2.376 -1.248 1.711) 3.182 22.632 ( 6.879 3.810 11.250) 13.726 26.629 ( -1.482 -2.832 -0.461) 3.230 26.797 ( -3.040 0.501 -1.380) 3.376 27.009 ( -2.202 -2.110 -2.091) 3.698 29.931 ( -2.429 -0.881 -10.036) 10.363 30.283 ( 1.864 0.058 9.722) 9.899 30.536 ( 4.269 3.381 -2.877) 6.159 36.379 ( 2.633 1.017 0.987) 2.990 36.505 ( 4.037 5.240 -2.578) 7.100 37.203 ( 0.384 -0.124 -10.578) 10.586 37.802 ( -8.407 -4.039 -2.535) 9.665 38.125 ( 0.490 -1.851 0.950) 2.137 38.857 ( 1.247 -1.497 4.937) 5.308 39.584 ( -0.244 -0.132 -3.576) 3.587 39.669 ( 2.969 1.111 -3.926) 5.046 40.418 ( 1.906 6.733 3.321) 7.745 40.792 ( 3.151 1.098 -0.479) 3.371 42.354 ( -11.335 -2.782 -1.250) 11.738 42.724 ( 6.926 -2.957 -11.925) 14.104 ======================= Grid point 109 (50/125) ======================= q-point: (-0.33 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -27.537 -32.240 -11.298) 43.879 2.726 ( -47.098 -7.257 -22.460) 52.681 3.426 ( -48.282 -10.496 19.325) 53.054 4.621 ( 4.957 0.416 -0.269) 4.981 4.914 ( -2.622 1.817 -1.784) 3.655 5.665 ( -12.799 -5.272 2.738) 14.110 6.385 ( 8.735 4.577 -1.666) 10.001 6.549 ( 8.145 -0.127 2.524) 8.528 6.749 ( 8.766 1.650 -4.443) 9.965 7.109 ( 14.251 7.184 5.144) 16.768 7.476 ( 9.961 6.563 -1.070) 11.977 8.190 ( -0.091 -3.333 2.938) 4.443 8.519 ( 1.271 -0.995 -4.420) 4.705 8.723 ( 7.891 -1.213 -1.636) 8.150 8.927 ( -5.911 4.158 3.038) 7.840 9.372 ( 0.908 0.402 -12.435) 12.474 9.479 ( 3.107 -1.465 5.713) 6.666 9.706 ( -1.110 0.221 7.157) 7.246 10.065 ( 2.262 2.015 3.901) 4.939 10.228 ( -10.659 -5.311 1.548) 12.008 10.455 ( 0.963 3.295 6.674) 7.505 10.733 ( -6.257 -5.049 -5.155) 9.551 11.106 ( 9.630 4.120 -9.948) 14.446 11.382 ( 2.575 10.692 -0.666) 11.018 11.554 ( 8.086 -6.270 0.689) 10.255 11.890 ( -1.475 2.415 -3.996) 4.896 12.182 ( 6.569 -5.274 1.462) 8.550 12.368 ( 3.998 1.387 2.278) 4.806 12.893 ( 7.717 4.503 -4.323) 9.926 13.153 ( 2.998 0.766 12.689) 13.061 13.452 ( -6.144 8.611 -2.021) 10.769 13.731 ( -0.757 -4.479 8.086) 9.274 14.459 ( 3.663 -2.778 3.129) 5.562 14.735 ( -0.822 -3.927 2.463) 4.708 14.919 ( 2.627 4.058 -6.241) 7.895 15.503 ( 3.398 5.191 13.340) 14.712 15.771 ( 1.229 -0.297 -5.543) 5.685 16.316 ( -2.668 -2.814 -6.712) 7.752 16.536 ( -8.638 -4.943 -4.158) 10.786 16.925 ( -9.826 -0.586 6.888) 12.014 17.367 ( 1.915 1.574 5.189) 5.751 17.670 ( -4.313 -4.858 -9.625) 11.612 17.888 ( -1.123 4.201 -15.385) 15.988 18.107 ( -1.741 -3.616 0.598) 4.058 18.306 ( -3.937 -1.626 4.895) 6.489 18.910 ( -1.017 -0.920 0.516) 1.465 19.137 ( 0.916 0.736 -0.095) 1.178 19.438 ( 0.037 -0.457 -7.191) 7.206 19.960 ( 0.288 0.632 1.203) 1.389 20.222 ( 3.041 0.917 -0.836) 3.284 20.407 ( 4.461 2.900 2.371) 5.826 20.741 ( -1.804 -0.856 5.309) 5.672 21.349 ( 1.403 -0.641 3.619) 3.934 21.483 ( -2.130 -1.722 -1.326) 3.042 21.835 ( 0.171 0.137 -2.901) 2.909 21.994 ( -3.156 -2.406 1.993) 4.440 22.838 ( 8.406 5.118 -1.249) 9.921 26.592 ( -1.328 -0.895 -1.717) 2.348 26.735 ( -0.706 -0.736 -4.342) 4.460 26.941 ( -5.602 -0.967 1.655) 5.921 29.785 ( -4.409 -1.544 0.207) 4.676 30.408 ( 6.027 1.888 -4.694) 7.869 30.564 ( 1.047 0.654 5.319) 5.460 36.405 ( 3.499 1.098 -0.596) 3.715 36.606 ( 3.338 1.693 5.756) 6.866 37.089 ( -2.103 -1.785 1.435) 3.110 37.656 ( -7.845 -2.251 -2.541) 8.548 38.145 ( -0.183 -0.881 1.413) 1.675 38.851 ( 1.115 2.484 -5.588) 6.216 39.531 ( -1.996 -0.637 -2.387) 3.176 39.700 ( 4.237 0.435 4.286) 6.042 40.515 ( 2.600 1.379 1.670) 3.384 40.837 ( 3.065 0.551 0.951) 3.256 42.177 ( -5.994 -2.393 -8.007) 10.284 42.666 ( 0.225 0.323 4.570) 4.587 ======================= Grid point 110 (51/125) ======================= q-point: (-0.22 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -30.214 -7.346 24.692) 39.706 2.135 ( -42.808 -3.086 20.462) 47.547 3.489 ( -44.229 -15.139 49.130) 67.817 4.705 ( 5.487 2.101 3.642) 6.913 4.954 ( 0.745 0.195 5.122) 5.179 5.595 ( -13.098 -5.885 7.309) 16.113 6.438 ( 8.265 3.195 -5.926) 10.661 6.619 ( 5.026 -1.571 1.007) 5.361 6.710 ( 5.352 5.120 -8.970) 11.633 7.336 ( 14.430 -3.726 0.411) 14.909 7.643 ( 10.978 10.693 0.844) 15.348 8.006 ( -2.436 -3.941 -13.873) 14.626 8.418 ( -1.963 3.896 -10.144) 11.043 8.795 ( 8.952 -7.146 1.322) 11.531 8.882 ( -6.400 4.068 -5.793) 9.543 9.142 ( 4.165 3.774 -8.715) 10.370 9.718 ( 0.811 -10.611 6.309) 12.372 9.793 ( 2.693 3.390 7.259) 8.452 10.109 ( -1.085 -5.842 3.606) 6.951 10.154 ( -9.728 3.925 -0.338) 10.496 10.442 ( -2.278 -2.799 -1.023) 3.751 10.712 ( -7.721 2.436 11.529) 14.087 10.970 ( 13.020 3.922 -20.472) 24.577 11.391 ( 3.546 -0.460 -7.102) 7.951 11.609 ( 2.761 14.325 -5.852) 15.719 11.831 ( 0.387 1.237 1.260) 1.807 12.198 ( 7.953 -2.386 -6.597) 10.605 12.462 ( 9.087 -8.636 0.158) 12.537 12.937 ( 0.435 6.065 1.841) 6.353 13.190 ( -7.187 -7.048 -3.597) 10.689 13.551 ( 2.709 -0.021 7.201) 7.694 13.909 ( 0.564 0.732 13.015) 13.048 14.296 ( -13.163 1.117 -18.284) 22.557 14.716 ( 5.860 -4.273 2.492) 7.669 15.040 ( 9.087 -1.980 9.677) 13.421 15.567 ( -4.125 3.006 -4.123) 6.561 15.782 ( 9.811 -3.172 3.906) 11.026 16.260 ( -1.281 3.745 0.270) 3.967 16.392 ( -7.898 -0.480 -1.382) 8.033 17.013 ( -8.967 -0.212 9.724) 13.229 17.337 ( 2.896 -5.980 -1.687) 6.855 17.509 ( -3.035 4.954 -14.509) 15.629 17.847 ( 4.535 6.794 8.623) 11.878 17.999 ( -2.072 0.373 -5.243) 5.650 18.331 ( -3.164 -5.670 3.032) 7.167 18.908 ( -1.841 1.507 0.769) 2.500 19.129 ( 1.268 0.698 -3.086) 3.408 19.315 ( -1.382 1.318 -6.891) 7.151 19.990 ( 0.766 -2.179 2.606) 3.483 20.292 ( -0.001 3.520 5.498) 6.528 20.519 ( 4.181 -1.217 1.880) 4.743 20.809 ( -3.136 -1.463 7.149) 7.943 21.318 ( -3.925 -2.708 -6.917) 8.402 21.503 ( 4.004 -0.119 4.895) 6.326 21.797 ( 0.030 1.953 -2.160) 2.912 21.949 ( -3.990 -2.054 -1.757) 4.819 22.742 ( 2.123 3.430 -17.675) 18.130 26.523 ( -0.114 1.554 -5.287) 5.512 26.646 ( -3.257 -1.826 -1.127) 3.900 26.984 ( -2.672 0.516 7.565) 8.039 29.892 ( 0.650 0.197 13.391) 13.408 30.308 ( 3.547 0.858 -10.389) 11.011 30.684 ( 1.881 -0.189 4.395) 4.785 36.466 ( 3.704 1.882 1.961) 4.594 36.708 ( 3.143 -4.760 2.939) 6.416 37.249 ( -0.345 0.329 14.671) 14.679 37.600 ( -0.529 0.465 5.066) 5.115 38.152 ( -0.972 -0.576 1.087) 1.568 38.795 ( 3.366 7.134 -4.202) 8.937 39.493 ( -0.635 -0.086 0.948) 1.144 39.862 ( 3.278 1.659 8.138) 8.929 40.517 ( 1.759 -5.846 -2.440) 6.575 40.873 ( 2.382 -1.580 0.869) 2.988 41.940 ( -9.563 -2.184 -7.978) 12.644 42.967 ( 9.639 7.211 21.885) 24.977 ======================= Grid point 111 (52/125) ======================= q-point: (-0.11 0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -19.276 2.455 43.516) 47.658 2.499 ( -25.618 -5.592 47.486) 54.245 4.152 ( -19.268 -2.201 68.333) 71.032 4.869 ( 3.638 1.622 7.650) 8.625 5.064 ( 0.943 0.701 6.931) 7.030 5.598 ( -11.649 -4.703 11.315) 16.907 6.382 ( 8.873 -1.752 -9.566) 13.164 6.604 ( 6.044 6.159 -10.537) 13.619 6.685 ( -0.232 -2.694 -0.063) 2.705 7.316 ( 5.828 1.190 -10.519) 12.085 7.659 ( -1.169 -5.606 -6.670) 8.791 7.867 ( 4.633 6.039 -6.688) 10.132 8.172 ( -1.390 -0.521 -14.521) 14.597 8.734 ( 2.031 8.144 -7.243) 11.087 8.865 ( 3.566 -9.202 1.727) 10.019 9.141 ( 2.617 1.703 0.052) 3.122 9.588 ( -5.370 -2.466 -5.343) 7.966 9.870 ( 0.136 -6.662 -11.151) 12.990 9.986 ( 1.947 5.404 -0.262) 5.750 10.296 ( -0.032 -4.663 9.487) 10.571 10.503 ( 4.208 3.274 5.590) 7.725 10.729 ( 10.369 3.759 -20.893) 23.625 10.928 ( -6.660 2.755 16.326) 17.846 11.225 ( -5.266 1.280 -7.028) 8.875 11.543 ( -5.463 3.799 -7.044) 9.690 11.905 ( 7.603 6.560 -3.546) 10.650 12.046 ( 5.040 -8.183 -11.105) 14.686 12.535 ( 11.504 -2.094 2.286) 11.914 12.877 ( -8.076 -3.220 -7.781) 11.668 13.116 ( -3.227 -2.362 4.837) 6.277 13.449 ( -12.724 -4.715 -8.666) 16.101 13.850 ( -11.602 -0.142 -6.986) 13.544 14.163 ( 4.795 2.103 1.766) 5.525 14.784 ( 4.152 -4.530 -0.704) 6.186 15.336 ( 4.770 5.524 18.624) 20.003 15.638 ( 9.770 -3.799 3.151) 10.946 15.890 ( 1.972 -4.562 4.425) 6.654 16.178 ( -0.146 5.069 -9.873) 11.099 16.407 ( 0.355 4.135 5.747) 7.089 16.908 ( -3.432 -1.137 -10.782) 11.372 17.242 ( -5.189 1.754 -15.416) 16.360 17.475 ( 1.273 -0.657 10.405) 10.503 17.830 ( 4.329 -0.761 -4.241) 6.108 18.221 ( 0.982 2.468 14.793) 15.030 18.332 ( 4.515 -0.076 1.663) 4.813 18.919 ( -1.033 3.105 0.568) 3.321 19.079 ( -0.254 1.093 -2.879) 3.090 19.216 ( -2.959 1.855 -2.579) 4.341 20.024 ( -1.363 -3.528 2.471) 4.517 20.337 ( -9.561 2.474 -0.160) 9.877 20.531 ( 3.797 -0.792 1.839) 4.292 20.970 ( 2.850 -0.125 12.419) 12.743 21.168 ( -5.102 -2.287 -1.882) 5.900 21.578 ( 2.080 -3.119 -1.299) 3.968 21.786 ( 1.445 -0.897 -0.255) 1.719 21.880 ( -2.203 2.754 -1.106) 3.696 22.449 ( -5.671 0.637 -12.979) 14.178 26.454 ( -1.128 2.643 -2.947) 4.116 26.638 ( -1.182 -0.840 3.339) 3.640 27.115 ( 0.518 0.344 7.411) 7.437 30.042 ( 3.851 2.537 -5.964) 7.539 30.256 ( 1.173 -1.620 6.109) 6.428 30.721 ( 1.948 -0.454 -2.224) 2.992 36.532 ( 2.438 0.704 1.361) 2.880 36.752 ( 2.672 -3.629 2.323) 5.070 37.345 ( -7.520 2.698 3.054) 8.553 37.778 ( 8.188 -0.379 2.000) 8.437 38.178 ( 2.170 -1.087 0.494) 2.477 38.926 ( 14.898 6.740 4.363) 16.924 39.556 ( 0.805 0.885 5.285) 5.418 39.991 ( 0.198 4.564 1.055) 4.688 40.408 ( -5.541 -10.345 -3.358) 12.207 40.932 ( 7.032 -0.254 2.016) 7.320 41.781 ( -10.735 -0.756 4.171) 11.541 43.520 ( 21.562 7.543 13.651) 26.612 ======================= Grid point 114 (53/125) ======================= q-point: ( 0.22 -0.67 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( 8.714 -16.260 -10.031) 20.998 4.594 ( 16.597 -5.228 -18.108) 25.114 4.669 ( -2.638 4.192 3.468) 6.046 4.966 ( 1.118 4.745 8.904) 10.151 5.366 ( -13.274 6.746 -2.900) 15.170 5.595 ( -0.027 -6.161 -10.254) 11.963 5.817 ( -2.934 1.093 2.582) 4.058 6.060 ( -3.094 7.456 -0.684) 8.101 6.764 ( 5.056 -5.580 -2.912) 8.073 7.111 ( -5.149 3.533 -3.671) 7.243 7.649 ( 2.420 -0.067 1.299) 2.747 8.141 ( 1.827 -7.966 -4.766) 9.462 8.418 ( -0.951 1.275 6.686) 6.873 8.566 ( 13.375 -1.669 4.266) 14.137 8.796 ( -7.869 -7.923 -11.730) 16.195 8.908 ( -0.857 0.075 -8.025) 8.071 9.309 ( -2.489 9.005 -0.975) 9.393 9.583 ( 3.177 2.526 7.138) 8.211 9.724 ( -2.571 -0.073 9.344) 9.692 10.076 ( -2.864 0.054 7.462) 7.993 10.252 ( -3.897 6.838 0.077) 7.871 10.700 ( 3.757 -2.204 6.532) 7.851 10.897 ( 0.240 -3.378 3.856) 5.132 11.470 ( -3.625 2.118 -0.310) 4.210 11.736 ( 2.719 -5.661 -3.978) 7.434 12.036 ( 4.824 -0.757 1.595) 5.137 12.362 ( 1.282 -3.294 -2.310) 4.222 12.560 ( -3.025 -13.791 -5.627) 15.199 12.689 ( 1.901 4.581 -6.803) 8.419 12.934 ( 5.788 6.648 0.901) 8.860 13.208 ( -8.020 13.994 10.184) 19.075 13.683 ( 1.453 -3.505 15.249) 15.714 13.970 ( -1.392 6.568 -0.887) 6.772 14.269 ( -5.096 8.847 -4.806) 11.284 14.769 ( -9.046 6.778 -12.263) 16.677 15.387 ( 1.281 -2.006 0.705) 2.482 15.855 ( 0.039 -0.145 -9.601) 9.603 16.580 ( 1.271 -2.371 10.760) 11.092 16.784 ( 0.113 -5.181 7.247) 8.909 16.828 ( 4.760 -1.885 6.461) 8.244 17.319 ( 2.059 -4.405 -4.533) 6.647 17.501 ( -1.701 0.863 -0.518) 1.977 17.977 ( 1.050 -1.538 12.334) 12.474 18.415 ( 1.659 -5.212 -0.869) 5.538 18.503 ( 2.449 -1.194 -4.529) 5.286 19.067 ( 2.115 -2.484 -0.049) 3.263 19.141 ( -1.607 -2.900 2.910) 4.411 19.553 ( 0.236 2.979 10.150) 10.581 20.018 ( -1.077 0.773 0.118) 1.331 20.322 ( 4.079 -3.332 -6.700) 8.523 20.627 ( -0.349 -2.453 -9.171) 9.499 20.815 ( -4.907 8.562 -10.826) 14.649 21.147 ( -0.967 2.109 -0.101) 2.323 21.622 ( 1.334 -7.765 0.742) 7.913 21.842 ( 4.535 2.352 4.726) 6.960 21.977 ( -1.013 -1.119 2.168) 2.642 22.155 ( -3.691 4.365 6.381) 8.567 26.787 ( 0.837 -6.626 0.078) 6.679 26.857 ( 5.171 0.166 -0.890) 5.249 26.980 ( -3.963 2.053 2.496) 5.113 30.085 ( 1.136 -4.431 -1.752) 4.899 30.296 ( 2.405 2.996 0.841) 3.933 30.375 ( -4.591 3.487 -1.677) 6.004 36.388 ( 0.576 0.280 -5.621) 5.658 36.623 ( -2.820 2.686 -7.221) 8.204 37.428 ( -1.340 2.247 -1.793) 3.172 37.983 ( 1.047 -1.281 -1.051) 1.960 38.220 ( 4.441 -7.939 10.847) 14.156 38.615 ( -2.045 1.982 -10.359) 10.744 39.647 ( -0.504 0.752 0.823) 1.223 39.841 ( -2.725 3.491 -5.994) 7.452 40.251 ( 0.192 3.361 -0.626) 3.424 40.852 ( 0.109 -1.038 -3.881) 4.019 42.408 ( 3.784 -3.523 6.110) 8.004 43.237 ( -2.117 -1.795 -16.506) 16.738 ======================= Grid point 115 (54/125) ======================= q-point: ( 0.33 -0.67 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 0.469 -28.505 -14.873) 32.155 4.401 ( 3.195 -4.017 -12.201) 13.237 4.575 ( -2.744 -2.046 -8.559) 9.218 4.964 ( -18.263 -7.886 -24.478) 31.542 5.199 ( 23.423 5.011 -0.579) 23.960 5.527 ( -5.441 6.437 11.065) 13.909 5.924 ( -4.144 3.341 8.135) 9.721 6.237 ( 1.446 13.641 10.580) 17.323 6.631 ( 2.051 -7.885 -12.137) 14.618 7.177 ( 5.075 0.740 6.403) 8.203 7.308 ( -4.766 6.122 -34.087) 34.959 8.028 ( -1.985 -4.706 0.189) 5.111 8.461 ( 5.697 -2.654 -3.335) 7.115 8.634 ( -1.241 -8.226 -2.000) 8.556 8.761 ( -2.870 0.212 13.540) 13.842 8.985 ( 2.718 0.784 14.419) 14.694 9.340 ( -0.561 11.624 0.212) 11.640 9.716 ( 0.734 7.240 4.872) 8.757 9.919 ( -3.551 -1.526 13.381) 13.928 10.145 ( 0.342 -0.486 3.725) 3.772 10.370 ( -0.284 4.156 5.605) 6.983 10.696 ( 6.057 -5.508 -8.940) 12.122 10.886 ( -6.288 -3.103 5.057) 8.645 11.434 ( 0.817 8.102 -4.195) 9.161 11.777 ( -0.508 -8.339 9.087) 12.344 12.062 ( -0.144 -7.400 -3.792) 8.316 12.217 ( -2.036 -5.512 -6.319) 8.629 12.329 ( 1.195 -9.503 -6.681) 11.678 12.623 ( 0.769 6.434 -7.182) 9.673 13.127 ( 5.667 11.864 4.266) 13.822 13.255 ( -4.775 9.502 -3.623) 11.235 13.825 ( 1.039 7.493 -2.420) 7.943 14.033 ( 0.880 3.805 11.799) 12.429 14.442 ( -3.004 3.323 14.722) 15.389 14.622 ( 0.110 6.881 0.121) 6.883 15.351 ( -1.610 -6.887 -2.590) 7.532 15.740 ( 1.967 3.402 -5.296) 6.595 16.670 ( -0.658 -1.470 -5.825) 6.043 16.749 ( 0.432 -3.293 6.816) 7.582 17.094 ( 2.819 -5.798 5.202) 8.284 17.261 ( -4.081 -1.713 4.317) 6.183 17.552 ( 2.246 -0.621 10.933) 11.179 18.151 ( 1.204 -5.211 6.260) 8.233 18.333 ( 0.148 -6.589 -5.183) 8.384 18.446 ( -0.300 0.715 -3.658) 3.739 18.998 ( -1.899 -4.117 -3.309) 5.613 19.183 ( 2.057 -1.606 0.208) 2.618 19.677 ( -0.347 0.485 1.904) 1.995 19.971 ( -0.547 0.407 -4.707) 4.756 20.171 ( -2.120 -1.165 -7.512) 7.892 20.500 ( 4.537 0.217 -5.370) 7.033 20.652 ( -2.951 7.763 -9.065) 12.295 21.200 ( -0.445 2.110 4.392) 4.893 21.617 ( 0.888 -7.360 1.941) 7.663 21.920 ( -0.779 -0.792 1.052) 1.530 22.023 ( 1.568 -1.151 1.631) 2.538 22.283 ( -1.451 5.538 10.493) 11.953 26.704 ( -0.104 -5.246 -2.900) 5.995 26.885 ( 1.034 0.578 -2.152) 2.457 27.022 ( -0.849 -0.890 3.762) 3.958 30.076 ( -0.368 -4.879 1.608) 5.151 30.211 ( 0.845 2.627 -6.992) 7.517 30.432 ( -0.347 4.960 2.706) 5.660 36.326 ( -0.033 2.639 -2.057) 3.346 36.501 ( 0.161 2.259 -6.732) 7.103 37.348 ( 0.131 1.811 -8.261) 8.458 37.968 ( 0.621 -1.101 -0.952) 1.583 38.213 ( -0.589 -7.719 -4.675) 9.044 38.666 ( -1.073 0.343 12.996) 13.045 39.639 ( 1.017 -1.202 -3.925) 4.229 39.724 ( -1.523 4.084 -5.819) 7.270 40.280 ( 1.959 6.357 0.323) 6.660 40.784 ( -0.345 -0.752 -3.019) 3.131 42.510 ( 2.695 -3.814 4.358) 6.387 42.905 ( -2.993 -2.629 -17.210) 17.665 ======================= Grid point 117 (55/125) ======================= q-point: (-0.56 0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -8.020 -39.673 -20.704) 45.464 4.085 ( -17.397 -8.593 -16.901) 25.732 4.301 ( -12.190 -3.974 -6.994) 14.605 4.570 ( -1.445 -1.465 -4.635) 5.071 5.341 ( -5.617 14.663 -7.395) 17.356 5.744 ( 12.439 1.508 8.029) 14.882 6.034 ( -3.171 -1.968 8.054) 8.877 6.300 ( 1.760 0.080 -10.832) 10.975 6.573 ( 5.921 8.412 3.271) 10.795 6.748 ( 3.049 10.354 -20.192) 22.896 7.427 ( 0.503 -0.721 9.816) 9.856 8.010 ( 0.111 -6.586 3.571) 7.493 8.469 ( 4.205 -0.676 -0.181) 4.263 8.556 ( 3.961 -5.176 -2.414) 6.951 8.993 ( -2.768 -0.617 11.729) 12.067 9.219 ( -1.174 3.357 9.004) 9.681 9.439 ( 0.527 5.090 5.929) 7.832 9.815 ( 5.899 1.419 -1.157) 6.177 10.017 ( -3.202 1.452 -7.624) 8.395 10.146 ( -0.536 4.958 3.877) 6.317 10.378 ( -3.842 -4.103 4.817) 7.403 10.743 ( 5.489 1.998 5.356) 7.925 10.964 ( 2.280 -3.577 9.058) 10.002 11.415 ( 0.974 7.910 -6.791) 10.471 11.644 ( -6.449 -8.548 -10.459) 14.969 12.028 ( -5.246 -6.723 2.546) 8.899 12.078 ( -2.303 -3.466 -1.756) 4.516 12.261 ( 6.675 -2.482 -1.736) 7.330 12.598 ( 9.188 2.206 -3.792) 10.181 13.087 ( -3.213 9.506 -6.551) 11.983 13.405 ( 4.618 7.185 8.837) 12.290 13.825 ( -7.938 10.203 -0.993) 12.965 14.253 ( 2.018 0.170 8.575) 8.811 14.561 ( 5.368 3.606 2.764) 7.032 14.880 ( 1.678 -3.316 14.913) 15.370 15.264 ( -1.998 -1.893 2.075) 3.447 15.741 ( 1.938 5.739 -0.636) 6.091 16.536 ( -2.036 -1.477 -7.238) 7.662 16.777 ( -0.700 -7.903 -0.103) 7.935 17.052 ( -1.514 0.655 -3.500) 3.869 17.302 ( -3.379 3.054 3.823) 5.946 17.871 ( 3.598 -10.457 14.358) 18.123 18.044 ( -2.264 -8.335 -5.192) 10.078 18.232 ( -3.158 -1.277 -7.264) 8.023 18.374 ( -0.652 3.414 -3.899) 5.223 18.927 ( -1.414 -2.721 -0.057) 3.067 19.155 ( 0.952 -0.006 -3.366) 3.498 19.576 ( 0.786 -4.917 -9.854) 11.041 19.938 ( -0.558 3.207 0.863) 3.368 20.120 ( 0.146 1.249 1.829) 2.220 20.398 ( 2.080 4.002 -10.986) 11.876 20.646 ( 0.647 3.174 4.789) 5.782 21.276 ( -0.252 0.788 3.421) 3.520 21.600 ( -2.490 -7.055 1.348) 7.602 21.889 ( -0.221 -2.681 -2.334) 3.562 22.026 ( -1.061 -0.441 0.563) 1.280 22.524 ( 3.274 6.317 10.209) 12.444 26.647 ( -0.318 -4.272 -0.579) 4.323 26.831 ( -0.717 1.522 -4.373) 4.686 27.048 ( -1.341 -1.650 1.086) 2.387 29.976 ( -1.705 -0.657 -7.359) 7.582 30.244 ( 1.844 -2.118 5.652) 6.311 30.479 ( 1.322 4.992 -0.362) 5.177 36.346 ( 0.761 1.128 0.933) 1.650 36.446 ( 1.925 4.508 -1.417) 5.103 37.198 ( 0.115 -0.407 -8.427) 8.438 37.928 ( -3.374 -1.478 -2.278) 4.331 38.123 ( -0.732 -4.603 0.090) 4.662 38.839 ( 0.369 -0.272 4.776) 4.798 39.559 ( 1.386 0.541 -2.650) 3.039 39.657 ( -0.374 0.885 -4.350) 4.455 40.380 ( 1.976 6.086 4.421) 7.777 40.746 ( 1.240 0.181 -1.399) 1.878 42.509 ( -2.034 -4.377 -8.129) 9.454 42.639 ( -0.306 -1.528 -3.848) 4.152 ======================= Grid point 118 (56/125) ======================= q-point: (-0.44 0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -15.554 -35.144 -10.530) 39.849 3.517 ( -32.021 -3.514 -15.155) 35.600 4.166 ( -24.868 -0.616 12.388) 27.790 4.549 ( 2.088 -1.725 1.005) 2.889 5.067 ( -14.932 9.215 -10.854) 20.632 5.899 ( -7.956 -2.952 6.123) 10.465 6.117 ( 17.442 4.465 -5.141) 18.724 6.394 ( 6.498 0.345 8.661) 10.834 6.523 ( 11.409 0.188 -4.105) 12.126 6.901 ( 7.370 6.378 7.258) 12.152 7.445 ( -5.736 4.632 -2.553) 7.802 8.106 ( 8.574 -9.657 4.969) 13.837 8.483 ( 6.856 -3.008 -8.518) 11.340 8.552 ( 2.544 -0.726 2.048) 3.346 9.016 ( -2.160 4.421 -3.367) 5.962 9.357 ( -1.053 2.173 3.008) 3.858 9.532 ( -5.515 0.477 1.467) 5.726 9.714 ( -0.097 -2.302 -0.230) 2.315 10.000 ( 4.274 1.460 1.600) 4.792 10.307 ( 11.179 6.760 4.188) 13.719 10.420 ( -8.140 -3.168 7.435) 11.471 10.767 ( 0.288 -0.731 -7.362) 7.404 11.107 ( -4.823 1.606 -1.756) 5.378 11.270 ( 8.105 -2.791 -7.982) 11.713 11.512 ( -3.602 1.703 4.236) 5.815 11.924 ( -2.290 0.912 -3.064) 3.932 12.077 ( 3.782 -5.178 0.022) 6.412 12.318 ( 1.274 -0.294 2.389) 2.724 12.664 ( 13.271 0.915 -1.691) 13.409 13.099 ( 2.501 1.973 4.620) 5.612 13.623 ( -7.535 14.281 6.426) 17.379 13.766 ( -4.521 -2.432 3.366) 6.139 14.349 ( 5.876 -4.181 1.802) 7.434 14.711 ( 3.369 3.478 5.298) 7.177 14.921 ( -1.498 -8.606 -3.608) 9.452 15.416 ( 4.647 3.448 7.807) 9.718 15.774 ( -1.122 3.873 -1.208) 4.209 16.381 ( -3.321 -2.231 -5.448) 6.759 16.678 ( -5.891 -5.786 -1.567) 8.405 17.053 ( -3.082 4.293 6.375) 8.280 17.352 ( -0.064 -0.585 0.730) 0.938 17.683 ( 2.135 -5.469 -13.081) 14.338 17.955 ( -4.807 4.167 -17.251) 18.386 18.139 ( -1.530 -2.012 0.046) 2.528 18.374 ( -2.702 -1.674 6.361) 7.110 18.928 ( -0.877 -1.114 1.853) 2.333 19.122 ( 0.757 0.906 -1.914) 2.249 19.422 ( 1.444 -1.991 -5.960) 6.447 19.961 ( -0.431 1.136 -0.100) 1.219 20.190 ( 0.045 1.299 4.061) 4.264 20.326 ( 3.883 3.336 -1.177) 5.253 20.768 ( -0.678 -1.661 7.764) 7.969 21.317 ( 1.128 -0.284 1.509) 1.906 21.543 ( -3.326 -4.780 -0.659) 5.861 21.832 ( 0.240 -0.595 -2.863) 2.933 22.037 ( -1.215 -1.607 2.143) 2.941 22.693 ( 5.978 6.529 -1.341) 8.954 26.606 ( -0.145 -1.925 -2.841) 3.434 26.762 ( -1.960 0.959 -2.245) 3.131 27.025 ( -2.738 -0.332 -0.018) 2.758 29.874 ( -4.286 -1.351 0.746) 4.555 30.293 ( 5.323 1.395 -4.970) 7.415 30.547 ( 0.726 0.636 5.656) 5.738 36.354 ( 1.725 0.444 -0.257) 1.799 36.550 ( 2.173 1.426 6.558) 7.054 37.110 ( -0.363 -1.917 0.491) 2.012 37.813 ( -7.475 -0.953 -3.310) 8.231 38.135 ( 1.296 -2.358 2.054) 3.385 38.820 ( 1.753 5.429 -7.991) 9.819 39.561 ( -0.989 -0.085 -3.700) 3.831 39.638 ( 2.024 -1.336 6.930) 7.342 40.491 ( 0.031 0.332 3.992) 4.006 40.770 ( 3.380 0.558 1.079) 3.591 42.272 ( -3.586 -0.714 -10.288) 10.918 42.665 ( 0.032 -0.735 4.939) 4.994 ======================= Grid point 119 (57/125) ======================= q-point: (-0.33 0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -20.058 -11.974 23.200) 32.923 3.011 ( -43.894 5.118 4.176) 44.388 4.224 ( -28.490 -4.952 26.807) 39.431 4.616 ( 3.191 0.074 5.151) 6.059 4.956 ( -2.011 3.216 2.741) 4.680 5.855 ( -12.044 -4.122 3.607) 13.231 6.224 ( 12.297 4.622 -2.518) 13.376 6.505 ( 7.528 -1.383 1.723) 7.846 6.649 ( 0.421 -0.578 -0.171) 0.735 7.051 ( 12.829 -5.304 0.986) 13.917 7.478 ( 4.548 13.380 3.276) 14.507 8.021 ( 1.413 -8.875 -13.795) 16.464 8.466 ( 0.525 3.777 -1.800) 4.217 8.565 ( 10.554 -8.444 -1.259) 13.575 8.993 ( -1.105 7.170 -3.068) 7.876 9.115 ( -4.845 1.544 -16.352) 17.124 9.681 ( 0.548 -5.208 12.629) 13.672 9.765 ( 2.183 1.156 0.505) 2.521 10.065 ( 2.609 -3.895 3.235) 5.696 10.349 ( -2.259 -0.760 -6.793) 7.199 10.493 ( 1.119 5.301 -6.557) 8.506 10.613 ( 2.580 2.647 -3.323) 4.970 10.965 ( -3.205 -0.871 -1.379) 3.596 11.279 ( 4.540 -0.646 0.575) 4.622 11.593 ( -1.335 8.813 1.880) 9.109 11.891 ( -4.370 1.857 -0.086) 4.749 12.077 ( 4.280 -4.604 -1.279) 6.415 12.312 ( 5.413 -5.160 -4.958) 8.973 12.838 ( 9.100 1.510 5.801) 10.896 13.237 ( 3.154 -4.848 3.847) 6.946 13.563 ( -7.176 -1.317 3.313) 8.013 13.927 ( -1.337 6.648 8.209) 10.648 14.412 ( 2.954 -3.796 -0.958) 4.904 14.675 ( -3.254 -5.014 -9.213) 10.983 14.869 ( 8.113 -0.806 4.471) 9.299 15.563 ( 8.520 -6.656 3.799) 11.460 15.689 ( -4.699 3.991 -5.781) 8.452 16.304 ( -2.982 3.185 -1.088) 4.497 16.582 ( -10.518 -0.220 1.239) 10.593 17.158 ( -3.956 -0.555 -4.169) 5.774 17.270 ( 2.793 -3.043 2.201) 4.680 17.570 ( -2.501 4.519 -12.854) 13.853 17.749 ( 4.348 8.473 1.757) 9.684 18.039 ( -2.140 3.804 -6.234) 7.610 18.415 ( -4.758 -5.429 3.303) 7.938 18.943 ( -1.321 1.334 0.998) 2.127 19.095 ( 1.790 0.540 -3.365) 3.850 19.354 ( -2.203 3.163 -3.459) 5.179 19.976 ( 0.542 -0.424 3.101) 3.177 20.283 ( 0.977 2.725 5.850) 6.527 20.431 ( 3.917 -2.039 5.478) 7.037 20.860 ( -1.996 -5.564 7.187) 9.305 21.355 ( 0.712 -0.704 -2.144) 2.366 21.467 ( -0.904 -1.766 -0.007) 1.984 21.797 ( -0.005 1.752 -1.564) 2.349 22.022 ( -3.297 -2.459 -0.834) 4.197 22.654 ( 5.807 5.189 -12.710) 14.906 26.527 ( -0.211 1.659 -5.056) 5.325 26.721 ( -4.337 0.081 0.035) 4.338 27.026 ( -1.242 0.746 2.915) 3.255 29.918 ( -2.682 -0.357 7.821) 8.276 30.233 ( 3.950 1.108 -6.167) 7.407 30.647 ( 1.831 -1.420 3.704) 4.369 36.404 ( 2.573 0.905 3.104) 4.132 36.650 ( 2.439 -5.849 3.254) 7.124 37.228 ( 1.755 -0.637 13.099) 13.232 37.693 ( -7.251 2.000 -1.944) 7.769 38.160 ( 0.690 -1.667 0.568) 1.892 38.732 ( 3.377 9.106 -8.570) 12.953 39.510 ( -1.059 0.442 0.028) 1.148 39.804 ( 2.500 -1.811 9.645) 10.127 40.508 ( -1.077 -5.474 0.752) 5.630 40.824 ( 2.768 -2.257 1.656) 3.937 42.095 ( -6.783 2.315 -5.755) 9.192 42.831 ( 5.490 3.655 11.576) 13.323 ======================= Grid point 120 (58/125) ======================= q-point: (-0.22 0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -23.402 2.407 32.381) 40.025 3.058 ( -32.244 1.172 39.950) 51.353 4.514 ( -14.419 0.763 33.123) 36.133 4.809 ( 1.341 1.354 13.965) 14.094 5.072 ( -1.756 0.819 9.717) 9.908 5.786 ( -4.977 -0.499 1.236) 5.153 6.251 ( 3.388 -5.804 -8.114) 10.536 6.460 ( 6.688 3.698 -8.009) 11.070 6.699 ( -1.708 -3.460 7.814) 8.714 7.135 ( 12.302 -2.805 -4.258) 13.317 7.664 ( 2.690 -2.036 1.273) 3.606 7.791 ( 1.634 8.963 -7.323) 11.689 8.238 ( -6.173 -0.999 -14.390) 15.690 8.675 ( 6.011 -2.623 -2.390) 6.981 8.830 ( -1.243 -2.843 -4.063) 5.112 9.054 ( 5.758 3.921 -0.784) 7.010 9.661 ( -2.192 -3.085 -7.192) 8.127 9.806 ( 5.385 -6.079 -3.403) 8.805 10.002 ( -2.497 4.263 -11.554) 12.566 10.284 ( 7.373 -1.971 -0.261) 7.636 10.412 ( -0.589 2.655 -1.291) 3.010 10.572 ( 4.265 3.471 -7.015) 8.913 11.045 ( -3.424 8.158 8.089) 11.988 11.285 ( -1.774 -1.913 -1.949) 3.256 11.687 ( -4.740 6.896 5.712) 10.131 11.809 ( -1.777 -6.880 -5.385) 8.915 12.018 ( -1.609 0.055 -3.588) 3.933 12.314 ( 10.349 -4.462 2.631) 11.573 12.936 ( 1.788 -1.836 -1.975) 3.235 13.163 ( -3.125 -8.022 -1.706) 8.777 13.621 ( -5.652 0.932 -0.315) 5.737 14.038 ( 6.903 -1.740 2.361) 7.500 14.134 ( -12.980 -3.212 -13.862) 19.260 14.679 ( 5.164 -3.488 3.426) 7.112 15.130 ( 14.806 0.798 12.238) 19.225 15.558 ( -1.076 -3.389 1.026) 3.700 15.761 ( 9.138 -3.261 6.037) 11.427 16.238 ( -4.055 8.127 -6.162) 10.976 16.499 ( -9.438 2.828 0.306) 9.858 16.945 ( 0.582 -2.630 -13.332) 13.601 17.304 ( -0.443 5.829 -9.849) 11.453 17.452 ( -0.596 -2.252 7.493) 7.846 17.788 ( 0.603 2.816 -7.572) 8.101 18.133 ( 5.460 7.828 9.392) 13.390 18.370 ( -5.180 -2.870 1.822) 6.196 18.945 ( -1.255 3.158 -1.247) 3.620 19.062 ( 1.809 2.603 -2.635) 4.122 19.294 ( -5.304 4.879 -0.862) 7.258 20.051 ( -1.068 -1.282 4.603) 4.896 20.410 ( 1.234 1.067 3.478) 3.842 20.503 ( 0.156 -3.344 1.906) 3.852 20.935 ( 0.268 -2.464 6.980) 7.407 21.236 ( -2.321 -1.540 -2.913) 4.031 21.532 ( 2.422 -4.198 3.596) 6.034 21.786 ( -0.845 1.756 -1.578) 2.507 21.937 ( -3.517 -0.115 -2.248) 4.175 22.488 ( 1.339 2.418 -12.086) 12.398 26.476 ( -1.054 5.020 -2.320) 5.630 26.687 ( -3.862 -0.584 1.600) 4.221 27.098 ( 1.432 0.532 4.045) 4.324 29.978 ( 2.555 3.210 -3.565) 5.435 30.253 ( -0.744 -2.994 7.703) 8.298 30.675 ( 2.757 -1.601 -2.144) 3.841 36.486 ( 2.244 -0.663 2.365) 3.327 36.690 ( 3.285 -5.006 3.531) 6.951 37.465 ( -2.021 3.434 8.290) 9.198 37.653 ( 1.070 0.372 1.283) 1.712 38.148 ( 1.259 -1.389 -1.800) 2.599 38.733 ( 6.681 6.651 -1.243) 9.509 39.553 ( -0.437 1.030 4.687) 4.819 39.963 ( 2.388 1.168 5.091) 5.743 40.468 ( -1.685 -10.361 2.272) 10.740 40.850 ( 1.845 -2.055 0.434) 2.796 41.970 ( -9.106 3.049 -0.563) 9.620 43.182 ( 13.940 6.413 12.713) 19.927 ======================= Grid point 121 (59/125) ======================= q-point: (-0.11 0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -14.069 3.596 42.318) 44.740 3.465 ( -26.356 -3.648 38.107) 46.477 4.893 ( 2.762 -0.776 7.255) 7.801 5.010 ( 0.380 1.211 8.142) 8.241 5.326 ( -3.676 0.699 18.221) 18.602 5.864 ( 2.443 3.276 9.349) 10.203 6.100 ( 10.521 -1.065 -7.548) 12.992 6.422 ( -0.142 6.671 -8.336) 10.677 6.709 ( -4.619 -9.514 4.663) 11.558 7.139 ( 4.619 0.287 -4.507) 6.460 7.542 ( -2.869 -1.202 -7.372) 8.001 7.837 ( -2.471 3.213 4.029) 5.715 8.007 ( -3.674 -1.006 -6.599) 7.619 8.590 ( 6.665 3.005 -8.151) 10.949 8.836 ( 2.088 -2.072 2.001) 3.558 9.129 ( 3.228 1.234 0.606) 3.509 9.508 ( -0.560 -2.919 -4.078) 5.046 9.692 ( 1.034 -4.700 -5.714) 7.471 9.905 ( 7.684 7.900 -8.840) 14.128 10.167 ( 7.412 -0.631 -14.093) 15.936 10.392 ( -5.172 -3.991 -5.296) 8.409 10.641 ( 6.256 4.378 4.274) 8.751 11.028 ( -11.414 3.630 -7.366) 14.061 11.267 ( 5.285 -1.234 -2.801) 6.107 11.618 ( -3.755 -4.497 5.834) 8.268 11.846 ( -1.471 0.399 7.221) 7.380 12.016 ( -7.273 4.267 7.895) 11.552 12.504 ( 9.857 1.150 5.752) 11.470 12.787 ( -7.183 -7.206 -6.950) 12.322 13.109 ( 2.754 -6.034 -2.445) 7.069 13.417 ( -12.304 -0.509 -9.005) 15.255 13.799 ( -6.058 2.220 -11.198) 12.924 14.097 ( 2.946 -6.612 -2.249) 7.580 14.733 ( 3.485 -3.981 0.092) 5.292 15.364 ( 10.039 -2.409 -3.089) 10.776 15.689 ( 3.935 3.287 -0.892) 5.204 15.833 ( 3.240 0.422 8.516) 9.121 16.236 ( -3.151 1.803 6.689) 7.611 16.492 ( 0.880 2.782 -0.082) 2.919 16.757 ( 1.594 -2.206 -2.921) 3.993 17.098 ( -8.963 3.979 -10.610) 14.448 17.530 ( 4.492 0.105 -2.370) 5.079 17.780 ( 2.802 5.813 2.020) 6.762 18.286 ( 6.487 1.946 -1.110) 6.863 18.413 ( -1.655 -3.125 8.255) 8.981 18.926 ( 0.385 2.322 -1.110) 2.602 19.071 ( 0.958 4.708 -0.843) 4.878 19.286 ( -5.834 4.262 2.025) 7.503 20.048 ( -3.163 -3.126 -0.763) 4.512 20.422 ( 0.798 -1.880 -0.201) 2.052 20.491 ( -1.180 0.261 1.331) 1.798 21.143 ( 3.653 2.141 10.592) 11.406 21.238 ( -2.219 -1.672 6.474) 7.045 21.515 ( -1.387 -3.655 -3.721) 5.397 21.762 ( 0.833 -3.037 1.035) 3.315 21.903 ( -1.534 2.668 -1.078) 3.260 22.304 ( -2.759 1.320 -9.828) 10.292 26.476 ( -1.699 4.195 0.897) 4.614 26.714 ( -1.157 0.017 4.572) 4.716 27.162 ( 3.033 -0.021 -0.219) 3.041 29.950 ( 0.332 1.825 -1.011) 2.112 30.350 ( 0.202 -1.916 3.476) 3.974 30.619 ( 1.830 -1.585 -5.327) 5.851 36.515 ( 2.608 -3.614 0.344) 4.470 36.776 ( 1.362 1.035 3.947) 4.302 37.488 ( -8.760 4.971 1.300) 10.156 37.718 ( 6.095 -1.457 0.375) 6.278 38.111 ( 2.525 -0.025 -4.232) 4.928 38.874 ( 11.563 0.532 2.754) 11.899 39.640 ( 0.244 0.378 4.300) 4.324 40.013 ( -0.660 4.055 -1.384) 4.335 40.408 ( -7.903 -11.509 1.770) 14.073 40.879 ( 5.729 0.483 -0.327) 5.759 41.969 ( -5.396 2.516 7.029) 9.212 43.513 ( 15.017 4.463 3.826) 16.127 ======================= Grid point 124 (60/125) ======================= q-point: ( 0.22 -0.56 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 14.054 -26.821 -13.205) 33.035 3.975 ( 33.917 -7.379 -17.791) 39.004 4.643 ( -3.267 0.656 -7.817) 8.498 4.870 ( 10.421 1.979 -15.902) 19.115 5.204 ( -1.928 -6.978 -21.294) 22.491 5.810 ( -15.952 10.256 10.964) 21.906 5.956 ( -4.587 -3.250 8.503) 10.193 6.209 ( 0.174 12.748 10.141) 16.291 6.619 ( -0.550 -3.275 -7.461) 8.166 7.077 ( 3.668 -4.904 -7.804) 9.920 7.406 ( -4.748 7.710 -16.143) 18.509 8.041 ( 1.176 -1.850 0.634) 2.282 8.342 ( 3.503 -2.952 -2.910) 5.427 8.647 ( 3.387 -10.107 8.786) 13.814 8.827 ( -2.479 2.156 11.136) 11.611 9.035 ( -10.762 -1.748 10.012) 14.802 9.307 ( 2.209 13.228 -3.304) 13.812 9.763 ( 1.285 -1.841 10.011) 10.259 9.939 ( -4.523 6.081 12.513) 14.629 10.228 ( -4.781 0.319 -5.291) 7.138 10.363 ( 1.140 4.794 6.125) 7.861 10.596 ( 0.546 -5.864 -0.632) 5.923 11.017 ( -5.483 2.227 5.724) 8.233 11.461 ( -1.495 3.489 -12.097) 12.678 11.694 ( 8.515 -6.764 9.186) 14.235 11.939 ( 7.185 -4.767 3.327) 9.242 12.163 ( 4.907 -1.515 -14.089) 14.996 12.429 ( -5.410 -13.599 -0.677) 14.652 12.693 ( -7.408 6.959 -4.964) 11.311 12.951 ( 8.628 6.875 6.166) 12.638 13.423 ( -8.715 11.204 -5.256) 15.136 13.827 ( 0.600 2.909 -6.204) 6.878 14.011 ( -3.263 3.383 16.772) 17.418 14.546 ( -3.765 5.001 16.953) 18.071 14.756 ( -13.867 8.035 -8.024) 17.923 15.323 ( 4.260 -1.975 -3.425) 5.812 15.733 ( -1.709 -0.182 -4.623) 4.932 16.638 ( 2.984 -3.643 -3.050) 5.611 16.746 ( 2.717 -1.833 4.460) 5.535 16.978 ( 5.922 -7.430 7.068) 11.842 17.302 ( 0.978 3.582 3.396) 5.032 17.546 ( -1.685 -4.075 9.851) 10.793 18.100 ( 3.804 -6.406 5.653) 9.352 18.300 ( 2.773 -5.641 -4.335) 7.636 18.418 ( 3.043 0.718 -4.738) 5.676 19.006 ( 1.574 -1.003 -2.006) 2.740 19.172 ( -1.123 -3.282 -0.451) 3.498 19.641 ( 3.924 -2.365 1.095) 4.711 20.006 ( -1.367 0.559 -3.458) 3.760 20.188 ( -0.604 4.259 -4.512) 6.234 20.483 ( -2.676 -2.258 -8.160) 8.879 20.711 ( -3.102 7.219 -8.845) 11.831 21.211 ( -0.490 2.140 4.370) 4.890 21.571 ( 3.281 -6.306 0.737) 7.147 21.890 ( 3.516 -0.531 4.374) 5.637 21.991 ( 0.923 -1.692 0.518) 1.996 22.368 ( -5.727 5.155 9.973) 12.603 26.691 ( 1.391 -4.315 -3.254) 5.580 26.822 ( 4.691 -1.854 1.053) 5.153 27.051 ( -1.582 0.837 0.400) 1.834 30.089 ( -0.599 -4.868 2.995) 5.747 30.168 ( 2.392 3.105 -7.360) 8.338 30.489 ( -4.616 4.253 1.911) 6.561 36.341 ( -1.542 2.546 -1.187) 3.204 36.534 ( -3.393 2.072 -7.654) 8.625 37.366 ( -2.158 1.914 -9.022) 9.471 37.920 ( 4.745 -3.909 -1.971) 6.456 38.173 ( 3.403 -3.627 -1.319) 5.146 38.711 ( -2.670 1.535 10.722) 11.155 39.633 ( -0.174 -2.380 -2.921) 3.772 39.769 ( -2.980 5.826 -8.013) 10.345 40.268 ( -1.346 2.292 1.154) 2.898 40.799 ( -1.061 0.166 -2.468) 2.691 42.394 ( 8.029 -7.523 2.855) 11.367 42.997 ( -5.430 2.677 -16.055) 17.159 ======================= Grid point 125 (61/125) ======================= q-point: ( 0.33 -0.56 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 6.947 -39.167 -20.728) 44.855 4.012 ( 19.880 -8.541 -10.659) 24.120 4.447 ( 1.814 -5.229 -11.779) 13.014 4.622 ( 2.916 -0.291 -13.295) 13.614 5.082 ( 13.820 10.178 2.435) 17.335 5.875 ( -12.888 7.861 6.781) 16.549 6.074 ( 1.310 -3.238 5.633) 6.628 6.322 ( -7.195 0.026 -17.137) 18.586 6.496 ( 0.938 9.421 7.972) 12.377 6.797 ( -4.926 8.380 -16.616) 19.251 7.372 ( 1.692 -0.492 9.574) 9.735 8.034 ( -0.869 -6.928 -0.420) 6.995 8.361 ( 1.718 -3.806 5.210) 6.677 8.626 ( -6.218 -5.341 -1.294) 8.299 9.017 ( -0.445 2.627 9.870) 10.223 9.245 ( -0.455 1.168 12.933) 12.994 9.381 ( 3.685 7.583 1.587) 8.579 9.808 ( -4.168 -1.603 0.756) 4.530 10.004 ( 3.740 1.372 -13.433) 14.012 10.212 ( -3.167 8.558 7.328) 11.704 10.428 ( -3.084 -2.544 5.625) 6.901 10.655 ( 2.630 1.115 6.314) 6.930 11.009 ( -6.078 -6.847 5.843) 10.862 11.345 ( 4.967 6.667 -11.240) 13.980 11.743 ( -1.853 -4.685 -1.838) 5.363 11.975 ( 6.005 -3.748 -8.156) 10.799 12.140 ( 4.344 -2.380 10.194) 11.334 12.274 ( -10.542 -10.584 -1.421) 15.006 12.512 ( -2.273 7.186 -10.126) 12.623 13.180 ( -6.251 4.151 -9.541) 12.138 13.264 ( 8.790 9.450 10.549) 16.669 13.913 ( 0.393 12.079 4.193) 12.792 14.269 ( -3.001 2.747 9.882) 10.687 14.548 ( -4.983 1.807 -0.540) 5.328 14.869 ( -0.402 -3.936 14.100) 14.645 15.282 ( 0.291 -1.085 -0.338) 1.173 15.713 ( 0.487 4.516 1.511) 4.787 16.543 ( 1.624 -1.125 -7.504) 7.759 16.790 ( -0.184 -7.774 1.111) 7.855 17.026 ( 3.203 -0.054 -0.499) 3.242 17.337 ( 0.913 5.327 -1.909) 5.732 17.812 ( 1.564 -12.361 12.462) 17.622 18.062 ( 0.357 -8.495 -0.189) 8.504 18.250 ( 1.336 -2.872 -3.949) 5.062 18.349 ( 3.091 3.975 -6.504) 8.225 18.964 ( -1.800 -1.466 -0.747) 2.438 19.127 ( 1.349 -0.393 -3.110) 3.413 19.565 ( 0.364 -5.109 -9.352) 10.663 19.941 ( 0.222 1.781 -0.920) 2.017 20.167 ( -4.266 4.022 2.764) 6.482 20.350 ( 2.219 1.825 -9.172) 9.612 20.653 ( -1.351 3.886 2.056) 4.599 21.291 ( -1.122 1.648 3.594) 4.110 21.596 ( 2.834 -7.205 2.104) 8.023 21.891 ( 0.028 -2.805 -2.729) 3.914 22.029 ( 0.905 -0.682 1.192) 1.645 22.528 ( -3.693 6.922 9.287) 12.158 26.642 ( 0.745 -4.220 -1.036) 4.409 26.828 ( 1.084 0.344 -2.530) 2.774 27.052 ( 0.877 -0.749 -0.233) 1.177 29.977 ( 1.709 -0.596 -7.716) 7.926 30.233 ( -0.969 -2.502 6.281) 6.830 30.486 ( -1.949 5.164 -0.520) 5.544 36.349 ( -1.118 1.371 0.923) 1.995 36.435 ( -0.927 3.783 -1.311) 4.110 37.199 ( -0.203 -0.310 -8.296) 8.304 37.915 ( 4.049 -2.040 -1.720) 4.849 38.147 ( -0.892 -3.434 -0.545) 3.590 38.850 ( -1.367 0.390 3.862) 4.116 39.552 ( -0.555 0.003 -1.920) 1.998 39.665 ( -0.621 1.489 -5.459) 5.692 40.349 ( 0.841 4.218 6.195) 7.541 40.749 ( -1.485 0.346 -1.674) 2.264 42.437 ( 6.430 -6.863 -3.467) 10.024 42.721 ( -5.053 1.670 -8.834) 10.313 ======================= Grid point 126 (62/125) ======================= q-point: ( 0.44 -0.56 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.178 -35.591 -10.919) 37.229 3.872 ( -2.554 -4.148 -7.382) 8.844 4.345 ( 3.804 -0.877 -1.362) 4.135 4.545 ( 0.017 -0.471 0.411) 0.625 5.359 ( -0.744 15.717 -5.555) 16.686 5.752 ( -0.264 6.392 -4.083) 7.590 6.001 ( 3.341 1.117 -1.014) 3.666 6.362 ( 1.251 0.881 14.527) 14.607 6.445 ( -8.056 -3.575 -4.177) 9.753 6.804 ( 2.836 5.780 6.370) 9.057 7.555 ( -1.140 0.895 5.845) 6.022 7.953 ( 2.605 -12.844 -1.439) 13.185 8.400 ( -0.802 -2.884 -1.880) 3.535 8.557 ( -1.137 -0.655 0.086) 1.315 9.032 ( -0.303 3.824 -8.017) 8.888 9.372 ( 0.384 2.178 3.927) 4.506 9.579 ( 4.084 0.319 9.906) 10.719 9.725 ( -2.516 -1.887 -3.576) 4.762 9.941 ( 0.294 2.343 1.266) 2.679 10.184 ( -0.991 7.334 -4.138) 8.479 10.526 ( -1.347 -0.998 1.949) 2.571 10.749 ( 1.645 -0.479 -0.305) 1.741 11.121 ( 2.346 -3.485 0.105) 4.203 11.169 ( 1.559 -0.209 -1.470) 2.153 11.638 ( -6.648 1.014 -3.505) 7.583 11.939 ( 3.086 2.396 -2.273) 4.520 12.071 ( -5.178 -8.053 -1.341) 9.667 12.304 ( 1.979 -2.693 4.226) 5.388 12.468 ( 3.326 3.956 0.520) 5.195 13.083 ( -1.362 0.938 1.155) 2.017 13.606 ( 6.779 10.638 12.547) 17.792 13.955 ( -10.092 6.719 -1.533) 12.221 14.268 ( 1.162 -6.514 -0.291) 6.623 14.657 ( 1.588 3.209 6.832) 7.713 14.927 ( 1.000 -11.028 -2.054) 11.262 15.353 ( 1.428 3.123 3.585) 4.964 15.798 ( -0.994 5.328 3.250) 6.320 16.420 ( -0.347 -2.369 -5.337) 5.849 16.754 ( -1.443 -6.021 1.424) 6.353 17.072 ( 0.100 6.038 4.367) 7.452 17.331 ( 2.881 -1.003 -4.464) 5.406 17.650 ( 0.046 -4.528 -11.872) 12.706 18.021 ( -0.912 1.891 -16.158) 16.294 18.163 ( -1.036 -0.482 -2.237) 2.512 18.398 ( 0.380 -1.620 9.086) 9.238 18.943 ( -0.568 -1.588 0.265) 1.707 19.105 ( 0.837 1.561 -1.578) 2.373 19.399 ( 0.445 -2.716 -4.879) 5.602 19.971 ( -0.394 1.166 1.207) 1.724 20.210 ( -0.953 1.109 0.846) 1.689 20.272 ( 0.438 3.805 1.204) 4.015 20.763 ( 1.028 -1.660 8.379) 8.603 21.317 ( -1.051 -0.498 0.517) 1.273 21.582 ( 0.056 -6.734 -0.976) 6.805 21.829 ( -0.086 -1.211 -2.534) 2.810 22.048 ( -0.136 -0.555 2.004) 2.083 22.627 ( 0.504 7.511 -2.097) 7.815 26.601 ( 0.525 -1.854 -3.174) 3.713 26.801 ( -1.743 0.578 0.465) 1.894 27.040 ( 1.179 0.472 -2.247) 2.581 29.923 ( 0.050 -1.280 1.299) 1.825 30.233 ( -0.107 1.178 -4.635) 4.784 30.539 ( 0.061 0.651 5.202) 5.243 36.338 ( -0.061 0.223 -0.220) 0.319 36.528 ( 0.072 1.357 7.615) 7.735 37.112 ( -0.039 -2.072 -0.086) 2.075 37.899 ( 0.124 0.438 -2.747) 2.785 38.112 ( -0.091 -4.024 0.196) 4.030 38.799 ( 0.088 6.889 -9.350) 11.614 39.570 ( -0.087 -0.073 -3.588) 3.590 39.619 ( 0.049 -1.768 7.619) 7.822 40.499 ( -0.250 -0.455 7.759) 7.777 40.731 ( 0.018 0.782 0.376) 0.867 42.310 ( -0.270 0.097 -8.793) 8.798 42.660 ( 0.429 -1.282 1.578) 2.078 ======================= Grid point 128 (63/125) ======================= q-point: (-0.44 0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -6.820 -13.365 20.822) 25.665 3.711 ( -25.126 5.391 4.724) 26.128 4.439 ( 4.617 -2.935 7.467) 9.256 4.605 ( 1.081 0.597 6.567) 6.682 5.101 ( -13.484 10.568 -6.738) 18.409 5.888 ( 6.154 4.767 -6.110) 9.896 6.143 ( 3.922 3.852 11.406) 12.662 6.328 ( 2.697 -8.300 1.190) 8.808 6.656 ( -0.575 1.168 14.983) 15.039 6.926 ( 0.872 -3.015 0.394) 3.163 7.498 ( -6.088 2.849 -1.955) 7.000 7.934 ( 7.491 -11.594 -4.379) 14.481 8.300 ( 5.283 -0.152 -2.081) 5.680 8.563 ( -1.594 -1.064 -0.188) 1.925 8.961 ( 1.950 4.756 -4.434) 6.789 9.249 ( -5.019 0.733 -16.651) 17.406 9.668 ( 2.656 -1.114 2.845) 4.048 9.755 ( -3.313 -3.928 4.614) 6.906 10.021 ( 2.173 2.236 5.315) 6.162 10.189 ( 9.100 12.333 -14.206) 20.898 10.472 ( 0.876 -5.696 0.978) 5.845 10.720 ( -4.497 1.645 -1.436) 4.999 10.905 ( 4.479 -8.693 -9.599) 13.703 11.322 ( -5.361 5.012 5.565) 9.210 11.613 ( 0.500 4.410 2.492) 5.090 11.947 ( -2.040 5.713 0.222) 6.070 12.027 ( 2.081 -11.121 2.646) 11.619 12.290 ( -2.857 -1.641 -3.303) 4.665 12.648 ( 8.007 -0.466 10.747) 13.410 13.169 ( 2.021 -0.822 7.157) 7.482 13.726 ( -4.865 -7.664 -3.452) 9.712 13.952 ( -3.419 14.630 4.231) 15.609 14.314 ( 5.679 -4.557 5.627) 9.202 14.711 ( 0.939 -3.568 -8.253) 9.041 14.766 ( 1.257 -7.823 -2.163) 8.213 15.406 ( 6.545 -3.199 -0.528) 7.304 15.802 ( -5.532 2.356 -1.640) 6.233 16.355 ( -1.693 1.833 -1.299) 2.813 16.753 ( -5.385 -1.898 4.380) 7.196 17.153 ( 1.241 -3.877 -14.685) 15.239 17.246 ( 1.586 6.523 5.091) 8.425 17.560 ( 2.526 4.743 -3.531) 6.430 17.744 ( -2.909 6.913 -9.716) 12.274 18.078 ( -1.686 6.266 -6.160) 8.947 18.489 ( -2.497 -4.670 3.548) 6.374 18.941 ( 1.672 -0.397 -0.478) 1.783 19.078 ( -0.246 2.096 -3.039) 3.700 19.386 ( -0.957 3.037 1.339) 3.454 19.981 ( -1.385 0.259 2.513) 2.881 20.238 ( 3.516 1.701 1.594) 4.218 20.400 ( -0.671 -1.509 9.547) 9.688 20.881 ( -0.098 -8.580 7.370) 11.312 21.324 ( 1.468 0.082 0.748) 1.649 21.503 ( -1.624 -2.685 -3.623) 4.793 21.797 ( -0.116 1.260 -0.823) 1.510 22.072 ( -1.800 -2.079 1.354) 3.065 22.552 ( 4.022 5.946 -12.130) 14.095 26.531 ( -0.150 1.716 -4.330) 4.660 26.807 ( -4.308 0.511 2.078) 4.810 27.021 ( 1.871 1.618 -1.485) 2.885 29.971 ( -1.871 -0.189 2.711) 3.300 30.172 ( 1.665 1.190 -0.670) 2.154 30.618 ( 1.074 -2.277 2.930) 3.863 36.369 ( 1.058 0.323 3.138) 3.327 36.624 ( 0.043 -6.226 4.059) 7.432 37.199 ( 1.006 -0.590 10.620) 10.684 37.830 ( -5.652 2.930 -2.627) 6.887 38.112 ( 3.878 -2.082 -1.046) 4.524 38.678 ( 1.767 10.002 -10.210) 14.401 39.530 ( -0.860 0.768 0.294) 1.190 39.769 ( 1.155 -3.567 9.403) 10.123 40.557 ( -3.472 -5.246 3.132) 7.027 40.772 ( 2.096 -2.812 3.205) 4.751 42.206 ( -4.624 6.056 -3.095) 8.224 42.732 ( 4.970 0.869 4.697) 6.893 ======================= Grid point 129 (64/125) ======================= q-point: (-0.33 0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -13.566 0.159 32.312) 35.044 3.709 ( -32.607 7.723 26.702) 42.847 4.607 ( 2.574 -0.560 10.335) 10.665 4.825 ( 0.761 1.456 15.427) 15.514 5.124 ( -2.249 5.855 11.644) 13.226 5.764 ( 3.182 3.316 -12.806) 13.606 6.239 ( -0.414 -8.270 -2.063) 8.533 6.397 ( 1.186 -4.420 -1.013) 4.688 6.754 ( -0.971 -5.315 3.381) 6.374 6.911 ( 5.874 2.258 1.394) 6.446 7.570 ( 4.820 5.553 3.875) 8.312 7.815 ( -2.901 2.286 -3.585) 5.148 8.383 ( -6.580 -4.731 -6.460) 10.364 8.521 ( 7.333 -2.598 6.621) 10.216 8.895 ( -3.352 -0.492 -14.632) 15.019 8.951 ( 3.124 1.673 -2.520) 4.349 9.635 ( 7.185 4.076 -12.405) 14.904 9.748 ( -2.648 -8.097 0.733) 8.551 9.974 ( 7.029 3.982 -19.053) 20.695 10.175 ( -0.573 6.141 4.355) 7.550 10.421 ( 1.512 -1.767 -6.439) 6.846 10.608 ( -6.874 -2.249 -1.147) 7.323 10.965 ( 10.849 2.089 5.325) 12.265 11.355 ( -4.881 1.225 0.490) 5.056 11.692 ( 1.144 3.677 2.137) 4.404 11.926 ( -4.617 -1.840 -1.848) 5.302 12.060 ( 1.128 -5.184 5.473) 7.622 12.221 ( -4.781 -1.518 5.032) 7.105 12.853 ( 5.286 -2.431 4.499) 7.355 13.233 ( -3.630 -5.256 -0.763) 6.433 13.692 ( -0.131 -1.244 5.370) 5.514 13.905 ( 3.483 0.742 -10.454) 11.044 14.286 ( -2.846 -9.165 -9.324) 13.380 14.645 ( -1.181 -1.846 4.492) 4.998 14.846 ( 13.180 -1.432 7.128) 15.053 15.478 ( 9.925 -8.898 3.883) 13.884 15.727 ( -6.041 1.813 0.786) 6.356 16.319 ( -4.134 8.762 -3.836) 10.420 16.706 ( -9.434 3.004 -5.223) 11.194 16.897 ( 2.319 -1.856 -11.436) 11.816 17.259 ( 4.457 4.739 -8.196) 10.464 17.485 ( -1.295 -1.446 -1.102) 2.232 17.799 ( -2.103 9.476 -0.422) 9.716 18.066 ( 1.363 8.767 2.999) 9.366 18.461 ( -3.511 -2.030 0.819) 4.137 18.947 ( 1.627 1.385 -1.429) 2.571 19.034 ( 0.171 4.336 -3.658) 5.675 19.404 ( -5.196 6.885 0.990) 8.682 20.058 ( 0.189 0.063 5.336) 5.340 20.348 ( 4.730 -1.643 4.555) 6.769 20.501 ( -0.776 -4.052 5.389) 6.787 20.942 ( -0.093 -6.525 5.547) 8.565 21.275 ( -1.814 -0.621 -4.943) 5.302 21.489 ( 1.812 -2.845 3.428) 4.810 21.806 ( -1.105 2.806 0.174) 3.021 22.012 ( -4.146 -1.644 -2.707) 5.217 22.421 ( 4.925 2.535 -10.216) 11.621 26.494 ( -0.755 5.576 -1.691) 5.875 26.779 ( -5.327 0.524 0.460) 5.372 27.053 ( 3.298 0.998 0.749) 3.527 29.942 ( 1.221 3.508 -4.193) 5.602 30.281 ( -1.897 -3.266 10.751) 11.396 30.621 ( 2.594 -2.821 -2.828) 4.762 36.449 ( 1.528 -1.334 3.690) 4.210 36.640 ( 1.543 -6.382 3.542) 7.461 37.426 ( 2.839 0.019 11.208) 11.562 37.747 ( -7.432 5.253 -2.092) 9.339 38.103 ( 3.938 0.654 -4.335) 5.893 38.631 ( 4.071 5.919 -2.915) 7.753 39.571 ( -1.331 0.979 4.619) 4.906 39.908 ( 2.947 -2.185 6.144) 7.156 40.516 ( -3.680 -8.283 1.913) 9.263 40.826 ( 1.216 -4.990 3.336) 6.125 42.143 ( -8.852 6.485 -1.108) 11.029 42.947 ( 10.957 5.980 8.492) 15.098 ======================= Grid point 130 (65/125) ======================= q-point: (-0.22 0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -15.810 1.612 34.056) 37.582 4.000 ( -27.637 -0.214 33.551) 43.469 4.834 ( 3.450 0.064 8.828) 9.478 5.014 ( -0.661 -1.010 2.254) 2.557 5.393 ( -2.084 0.794 11.242) 11.461 5.710 ( 13.463 11.262 -0.843) 17.573 5.989 ( -1.791 -7.366 -8.607) 11.469 6.389 ( 4.847 -6.194 -2.047) 8.128 6.770 ( -0.298 -5.662 1.326) 5.823 7.033 ( 3.802 6.385 4.172) 8.522 7.611 ( 1.160 0.945 -7.815) 7.957 7.842 ( -2.429 4.704 4.618) 7.025 8.136 ( -10.869 1.382 -3.656) 11.550 8.505 ( 2.968 1.801 -12.817) 13.279 8.796 ( 1.870 -3.351 1.573) 4.147 9.037 ( 5.638 -0.035 5.749) 8.052 9.499 ( 4.908 5.400 -10.652) 12.911 9.646 ( 0.982 -3.158 -6.808) 7.569 9.797 ( 3.469 -2.302 -7.038) 8.178 10.082 ( -0.402 2.490 -11.378) 11.654 10.469 ( 2.421 1.776 1.360) 3.297 10.556 ( -2.115 -2.075 2.884) 4.135 11.118 ( 8.980 -1.102 -1.262) 9.135 11.261 ( -10.251 3.639 -3.121) 11.316 11.617 ( 0.611 -3.574 -6.882) 7.779 11.904 ( -3.257 1.041 5.141) 6.175 12.253 ( -9.232 1.108 16.065) 18.562 12.326 ( 3.577 -1.306 10.788) 11.440 12.874 ( -1.414 -4.372 -1.826) 4.945 13.093 ( -3.074 -8.335 -4.588) 9.999 13.587 ( -4.179 -2.397 -10.754) 11.784 13.760 ( 7.557 0.473 -16.821) 18.447 14.166 ( -6.904 -8.777 4.452) 12.022 14.642 ( 4.075 -8.712 0.591) 9.636 15.150 ( 12.021 2.988 7.307) 14.382 15.595 ( 7.925 -6.752 1.273) 10.488 15.773 ( -0.221 2.825 8.915) 9.354 16.292 ( -2.796 10.452 -0.545) 10.833 16.499 ( -0.919 0.342 -8.688) 8.744 16.770 ( -3.105 -0.791 -3.375) 4.654 17.199 ( -0.070 5.023 -5.232) 7.253 17.457 ( 1.812 2.076 -4.825) 5.556 17.776 ( -2.642 6.933 0.102) 7.421 18.181 ( 3.780 5.037 -0.406) 6.311 18.470 ( -2.719 -0.990 4.290) 5.174 18.930 ( -0.714 3.214 -2.025) 3.865 19.028 ( 3.030 5.357 -1.965) 6.461 19.404 ( -5.893 6.068 0.392) 8.468 20.097 ( -1.375 -2.969 -0.273) 3.283 20.367 ( 1.855 -4.261 -1.751) 4.966 20.565 ( -2.834 -0.092 3.945) 4.859 21.059 ( 3.654 1.802 9.767) 10.583 21.257 ( 0.071 -3.647 5.112) 6.280 21.518 ( 1.119 -4.088 -1.118) 4.384 21.786 ( -2.890 -0.740 0.207) 2.991 21.937 ( -2.167 0.744 -2.088) 3.099 22.312 ( 1.918 0.860 -8.206) 8.472 26.506 ( -1.299 7.148 -0.568) 7.287 26.760 ( -3.548 -0.015 3.141) 4.738 27.092 ( 4.132 0.165 -1.493) 4.397 29.942 ( 0.420 3.052 1.587) 3.465 30.366 ( -1.851 -3.124 1.379) 3.884 30.573 ( 2.787 -2.899 -2.198) 4.583 36.480 ( 0.982 -4.424 1.130) 4.670 36.738 ( 2.520 -0.165 6.320) 6.806 37.570 ( 3.138 0.344 1.839) 3.654 37.684 ( -6.234 5.622 -0.740) 8.427 38.057 ( 3.214 1.543 -5.110) 6.231 38.718 ( 5.434 0.964 3.959) 6.792 39.647 ( -0.997 -0.254 4.813) 4.922 39.992 ( 2.679 0.930 0.431) 2.868 40.491 ( -2.112 -10.980 4.534) 12.066 40.841 ( -0.751 -2.499 0.733) 2.710 42.093 ( -7.530 4.894 1.795) 9.159 43.243 ( 12.822 7.822 6.247) 16.267 ======================= Grid point 131 (66/125) ======================= q-point: (-0.11 0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( -8.055 -1.591 32.461) 33.484 4.218 ( -22.151 -2.077 18.601) 29.000 4.773 ( 1.922 -3.450 -9.796) 10.563 5.033 ( 7.310 0.086 -4.765) 8.726 5.401 ( 1.681 -1.094 -4.192) 4.647 5.711 ( 2.215 -8.408 -10.307) 13.484 6.088 ( 2.221 1.024 5.855) 6.345 6.466 ( 5.948 7.897 9.953) 14.029 6.762 ( -1.346 0.888 -3.768) 4.099 7.218 ( -0.764 3.537 12.747) 13.251 7.384 ( -5.189 2.455 -10.700) 12.143 7.854 ( 5.376 4.662 -5.386) 8.925 8.084 ( -5.879 -5.036 2.162) 8.037 8.462 ( 4.440 1.857 5.229) 7.107 8.858 ( 4.590 3.100 4.299) 7.011 9.106 ( 1.428 3.107 -4.708) 5.819 9.432 ( 2.319 8.553 -12.194) 15.074 9.522 ( 2.606 -3.274 -3.979) 5.774 9.796 ( 1.764 -6.259 3.862) 7.563 9.944 ( 0.724 -5.031 -1.305) 5.248 10.377 ( -7.022 -1.590 -1.630) 7.382 10.662 ( 4.236 4.164 0.257) 5.945 10.975 ( -8.974 -4.879 -9.113) 13.689 11.216 ( 3.852 0.260 0.838) 3.951 11.643 ( 5.490 5.329 3.123) 8.264 11.986 ( -0.887 5.236 5.588) 7.709 12.356 ( -6.748 -1.464 6.341) 9.375 12.562 ( -1.440 -8.344 9.428) 12.672 12.751 ( -5.132 -0.181 -1.572) 5.371 12.958 ( 0.286 -5.400 -4.377) 6.957 13.321 ( -5.205 -3.558 -10.843) 12.542 13.626 ( 7.640 1.526 -6.494) 10.143 14.032 ( -10.066 -12.127 -1.591) 15.840 14.660 ( 3.009 -2.506 -1.292) 4.123 15.280 ( 0.572 -1.374 -0.022) 1.488 15.552 ( 2.706 5.078 -6.091) 8.379 16.029 ( 3.881 2.298 7.980) 9.166 16.287 ( 1.239 5.419 -4.085) 6.899 16.494 ( 0.621 -3.646 5.684) 6.781 16.780 ( 3.880 0.171 6.050) 7.189 17.068 ( -6.022 3.146 -6.746) 9.575 17.445 ( 3.449 7.012 -0.876) 7.863 17.816 ( 0.527 2.498 -0.064) 2.554 18.215 ( 5.119 2.722 -1.199) 5.921 18.505 ( -1.142 -2.860 2.730) 4.115 18.923 ( 0.637 2.786 -0.654) 2.932 19.080 ( 2.744 5.528 1.226) 6.292 19.352 ( -3.400 -0.152 -2.050) 3.972 20.044 ( -1.995 -1.232 -0.420) 2.383 20.327 ( 1.553 -3.852 -2.682) 4.944 20.619 ( -2.929 1.815 5.570) 6.550 21.212 ( 1.767 -0.447 1.483) 2.350 21.398 ( -0.652 -2.194 2.016) 3.050 21.442 ( 1.539 2.099 2.072) 3.326 21.782 ( -1.722 -4.302 2.718) 5.372 21.898 ( -0.182 1.617 -0.759) 1.795 22.183 ( -1.449 0.288 -6.934) 7.090 26.525 ( 0.364 3.779 0.421) 3.820 26.821 ( -1.526 1.075 5.508) 5.815 27.073 ( 3.234 -0.143 -4.648) 5.664 30.029 ( -1.720 1.248 6.910) 7.229 30.276 ( 2.279 -0.778 -8.143) 8.492 30.565 ( -0.997 -2.668 0.560) 2.903 36.474 ( 0.772 -3.470 -0.296) 3.567 36.844 ( 0.108 2.778 2.461) 3.713 37.587 ( -3.272 3.712 -0.818) 5.015 37.677 ( 2.980 -0.953 1.773) 3.596 38.026 ( 2.054 1.618 -2.422) 3.564 38.816 ( 4.703 -0.061 -0.125) 4.705 39.701 ( -1.162 -1.407 2.808) 3.349 39.995 ( 1.403 4.090 -3.199) 5.379 40.456 ( -6.235 -12.074 2.702) 13.855 40.840 ( 1.423 1.604 -0.343) 2.171 42.124 ( -2.069 1.307 4.839) 5.423 43.445 ( 9.233 7.167 -0.897) 11.723 ======================= Grid point 134 (67/125) ======================= q-point: ( 0.22 -0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 21.678 -33.102 -24.199) 46.382 3.401 ( 40.372 -16.129 1.107) 43.489 4.080 ( 30.857 0.696 -40.100) 50.603 4.621 ( -3.620 0.918 -4.686) 5.992 4.970 ( 1.853 -0.721 -5.716) 6.052 5.812 ( 11.454 -2.731 -2.822) 12.108 6.263 ( -10.409 0.044 10.195) 14.570 6.480 ( -6.838 3.656 -8.182) 11.272 6.565 ( -10.206 8.101 12.229) 17.870 6.911 ( -8.979 2.998 -8.223) 12.539 7.439 ( -6.785 7.857 1.938) 10.560 8.041 ( -0.858 -3.602 1.452) 3.977 8.389 ( -3.322 -1.054 10.056) 10.642 8.719 ( -1.752 -8.568 4.817) 9.984 8.977 ( 4.161 4.102 2.060) 6.195 9.298 ( -5.577 -4.666 10.802) 13.021 9.366 ( -1.950 9.735 3.118) 10.407 9.837 ( 3.443 0.124 -1.635) 3.814 9.934 ( 0.222 -1.222 -12.304) 12.367 10.249 ( -1.497 4.425 11.276) 12.206 10.456 ( 3.449 5.878 0.807) 6.863 10.729 ( -10.685 -2.984 4.002) 11.793 11.137 ( -3.732 -7.520 -0.033) 8.395 11.219 ( 5.193 4.759 -5.557) 8.972 11.719 ( 2.653 4.523 3.189) 6.137 11.909 ( 0.787 -2.255 -7.846) 8.201 12.069 ( 1.734 -5.527 10.519) 12.008 12.411 ( -3.966 -5.698 0.070) 6.943 12.694 ( -13.542 4.383 -8.060) 16.357 13.076 ( 8.334 7.108 12.141) 16.352 13.343 ( -8.736 3.294 -13.592) 16.489 13.839 ( 6.281 7.829 5.184) 11.297 14.335 ( -3.795 4.124 12.188) 13.415 14.702 ( -8.400 2.502 -5.544) 10.371 14.886 ( -1.107 -6.273 7.250) 9.651 15.267 ( 0.300 5.451 2.669) 6.076 15.738 ( -3.231 0.966 2.065) 3.954 16.493 ( 2.727 -2.038 -7.436) 8.178 16.712 ( 8.780 -9.303 0.331) 12.796 16.993 ( 0.385 2.487 1.252) 2.810 17.271 ( 4.336 2.643 -3.330) 6.073 17.802 ( 0.656 -9.904 12.191) 15.721 18.037 ( 1.993 -6.491 0.005) 6.790 18.170 ( 6.827 -0.423 -3.739) 7.795 18.292 ( 1.661 0.094 -5.709) 5.946 18.970 ( 1.278 0.708 -1.710) 2.249 19.121 ( -0.568 -1.600 -2.158) 2.746 19.549 ( 1.596 -5.721 -4.629) 7.530 19.936 ( 0.182 1.636 -2.736) 3.192 20.256 ( -4.386 7.319 2.056) 8.777 20.345 ( -2.175 -1.550 -7.895) 8.334 20.688 ( -1.924 3.166 -1.181) 3.889 21.308 ( -0.102 2.056 4.715) 5.145 21.519 ( 3.896 -4.380 0.864) 5.925 21.884 ( 0.756 -1.410 -1.523) 2.209 21.992 ( 2.586 -1.340 2.520) 3.851 22.641 ( -6.847 4.973 10.154) 13.218 26.623 ( 1.143 -3.039 -1.146) 3.443 26.784 ( 3.388 -1.813 1.045) 3.982 27.021 ( 2.099 -0.218 -3.757) 4.309 29.930 ( 2.525 -1.030 -10.306) 10.661 30.270 ( -2.415 -0.942 10.081) 10.409 30.545 ( -3.863 4.039 -2.769) 6.237 36.387 ( -2.637 1.818 0.667) 3.272 36.483 ( -4.059 2.918 -2.001) 5.384 37.206 ( -0.496 0.309 -10.439) 10.455 37.797 ( 7.682 -4.168 -2.249) 9.024 38.146 ( 0.668 -0.214 0.606) 0.927 38.878 ( -1.089 0.580 3.408) 3.625 39.562 ( 0.021 -1.891 -1.956) 2.721 39.699 ( -3.149 3.748 -6.580) 8.202 40.362 ( -2.477 1.250 6.351) 6.931 40.793 ( -2.746 0.951 -0.680) 2.984 42.291 ( 8.540 -8.172 0.722) 11.843 42.807 ( -4.022 4.575 -14.443) 15.675 ======================= Grid point 135 (68/125) ======================= q-point: ( 0.33 -0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 15.553 -35.122 -12.390) 40.361 3.558 ( 33.291 -5.651 -11.755) 35.755 4.103 ( 22.834 2.478 0.361) 22.971 4.546 ( -1.845 -1.530 -0.293) 2.415 5.083 ( 15.321 7.984 7.017) 18.647 5.859 ( 6.614 -2.142 -2.591) 7.420 6.119 ( -18.505 3.695 -12.232) 22.488 6.412 ( -7.250 2.718 13.613) 15.661 6.621 ( -6.940 -4.060 0.750) 8.075 6.808 ( -4.852 6.428 2.016) 8.303 7.548 ( -1.984 10.616 7.909) 13.386 7.983 ( -3.088 -13.037 -0.787) 13.421 8.505 ( -7.954 -2.073 5.906) 10.122 8.597 ( -3.670 -2.888 -6.873) 8.310 9.000 ( 5.243 3.529 -8.496) 10.589 9.341 ( 2.332 -0.302 -2.717) 3.594 9.496 ( 0.059 5.630 10.445) 11.866 9.809 ( -4.677 -3.051 -0.680) 5.626 9.919 ( 2.532 1.339 7.708) 8.223 10.331 ( -10.431 5.349 -5.920) 13.133 10.448 ( 7.720 -2.308 -4.334) 9.149 10.726 ( 0.020 -0.572 5.238) 5.269 11.092 ( 2.753 1.144 -10.140) 10.569 11.180 ( -4.178 -0.524 6.881) 8.067 11.698 ( 0.156 -0.046 -10.778) 10.779 11.844 ( 3.832 -0.246 2.450) 4.554 12.211 ( -0.017 -10.483 8.980) 13.803 12.269 ( -7.596 3.261 -9.082) 12.281 12.567 ( -10.251 4.446 6.418) 12.886 13.153 ( -5.589 0.070 -0.961) 5.671 13.429 ( 10.208 9.295 11.888) 18.218 14.007 ( 4.113 4.898 2.765) 6.968 14.363 ( -8.765 -3.877 -5.323) 10.964 14.655 ( -1.389 -1.044 8.347) 8.526 14.897 ( 1.453 -5.063 -2.526) 5.841 15.367 ( -2.726 2.905 3.885) 5.565 15.806 ( 0.059 3.893 4.193) 5.722 16.393 ( 2.745 -1.831 -5.319) 6.260 16.712 ( 5.917 -7.449 -0.349) 9.520 17.050 ( 3.486 5.704 0.248) 6.689 17.276 ( 0.723 -0.880 0.394) 1.205 17.685 ( -2.957 -4.046 -10.124) 11.297 17.969 ( 5.929 2.138 -13.983) 15.338 18.177 ( 0.064 -1.089 -5.250) 5.362 18.362 ( 3.061 -1.853 12.261) 12.772 18.942 ( 0.785 -1.510 -2.407) 2.948 19.101 ( -0.651 1.403 -0.079) 1.549 19.408 ( -1.110 -1.854 -5.274) 5.700 19.971 ( 0.376 0.959 3.868) 4.002 20.205 ( 0.100 0.819 -5.377) 5.440 20.327 ( -4.555 3.878 5.981) 8.459 20.739 ( 1.179 -1.662 6.602) 6.909 21.349 ( -2.034 0.125 0.481) 2.094 21.538 ( 3.803 -5.339 -0.767) 6.600 21.835 ( -0.418 -0.604 -2.508) 2.613 22.038 ( 1.426 -1.842 1.975) 3.054 22.680 ( -5.827 6.824 -2.995) 9.461 26.590 ( 0.574 -1.399 -2.720) 3.112 26.820 ( 0.055 0.117 2.638) 2.641 26.985 ( 4.179 -0.021 -4.182) 5.912 29.873 ( 4.268 -1.333 0.883) 4.557 30.296 ( -5.349 1.360 -3.636) 6.609 30.545 ( -0.680 0.653 4.597) 4.692 36.356 ( -1.794 0.432 -0.434) 1.895 36.548 ( -2.089 1.434 8.421) 8.794 37.111 ( 0.338 -1.923 -0.052) 1.954 37.810 ( 7.498 -0.952 -2.864) 8.083 38.137 ( -1.364 -2.339 -0.733) 2.806 38.816 ( -1.583 5.394 -9.031) 10.637 39.562 ( 1.032 -0.041 -2.742) 2.930 39.638 ( -2.224 -1.326 6.068) 6.597 40.496 ( 0.045 0.244 8.468) 8.471 40.771 ( -3.529 0.579 1.407) 3.843 42.280 ( 3.447 -0.743 -5.037) 6.149 42.652 ( 0.209 -0.673 -2.844) 2.930 ======================= Grid point 136 (69/125) ======================= q-point: ( 0.44 -0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 8.587 -13.583 20.029) 25.679 3.783 ( 22.814 4.741 6.050) 24.074 4.287 ( 4.345 0.628 6.639) 7.959 4.562 ( 1.142 -1.592 3.468) 3.984 5.334 ( -1.349 11.950 -6.542) 13.690 5.785 ( 1.874 5.050 2.917) 6.126 5.974 ( 1.750 -2.670 0.600) 3.249 6.478 ( -9.209 -7.272 3.692) 12.301 6.689 ( -2.748 3.673 9.838) 10.854 6.907 ( 0.964 -0.655 12.079) 12.135 7.604 ( -2.391 -2.423 -9.785) 10.361 7.858 ( -1.991 -7.990 3.136) 8.811 8.323 ( -5.766 4.011 -8.474) 11.006 8.570 ( -0.175 -2.106 1.541) 2.616 8.939 ( 1.170 0.746 -3.222) 3.508 9.263 ( 2.576 1.787 -11.945) 12.350 9.613 ( 0.876 -3.311 -2.689) 4.354 9.833 ( -2.762 1.632 9.279) 9.818 10.023 ( -2.738 3.309 -3.123) 5.311 10.136 ( -3.031 5.722 -5.424) 8.447 10.406 ( 5.098 -6.742 0.165) 8.454 10.760 ( -3.060 5.181 -8.792) 10.654 10.892 ( -0.006 -6.833 -4.428) 8.142 11.359 ( 1.832 5.583 7.560) 9.575 11.559 ( 4.880 0.907 -5.404) 7.337 11.931 ( 5.666 -2.822 1.558) 6.519 12.062 ( -8.258 0.118 -2.410) 8.604 12.327 ( -0.022 -7.059 6.890) 9.865 12.647 ( -8.184 1.681 10.440) 13.371 13.173 ( -1.937 1.596 6.369) 6.846 13.670 ( 7.716 0.211 -2.154) 8.014 14.084 ( -4.741 6.524 4.300) 9.140 14.212 ( 2.660 -7.314 -0.389) 7.792 14.697 ( -0.370 -5.381 -5.694) 7.844 14.799 ( -4.410 -5.878 0.350) 7.357 15.328 ( 1.389 -0.778 -5.498) 5.724 15.875 ( -1.667 1.669 1.596) 2.848 16.358 ( 1.420 0.863 -0.921) 1.900 16.746 ( 5.210 -1.922 0.058) 5.553 17.115 ( 4.606 0.555 -3.166) 5.616 17.259 ( -4.370 1.106 -1.807) 4.856 17.541 ( -1.421 8.321 -4.450) 9.543 17.779 ( 0.449 5.578 -8.352) 10.054 18.099 ( -0.348 6.277 -5.543) 8.381 18.504 ( 0.953 -4.402 3.449) 5.672 18.897 ( 2.205 -1.202 -2.679) 3.672 19.092 ( -0.761 2.598 -1.819) 3.261 19.394 ( -0.040 3.233 2.579) 4.136 20.025 ( -2.467 0.927 2.728) 3.793 20.175 ( 2.272 -0.941 0.895) 2.617 20.436 ( -2.714 0.807 8.796) 9.241 20.860 ( 2.163 -8.798 6.949) 11.419 21.314 ( -0.470 -0.889 -0.889) 1.342 21.510 ( 0.816 -2.671 -2.342) 3.645 21.803 ( -0.346 1.435 -0.644) 1.610 22.083 ( 1.057 -2.679 2.808) 4.022 22.524 ( -1.649 6.313 -13.650) 15.130 26.532 ( -0.016 1.822 -3.718) 4.140 26.878 ( -2.652 -0.487 4.826) 5.528 26.955 ( 4.565 2.633 -4.751) 7.096 29.966 ( 2.039 -0.141 2.332) 3.100 30.187 ( -2.840 1.443 -0.048) 3.186 30.611 ( -0.443 -2.469 2.839) 3.788 36.363 ( -0.543 0.162 2.471) 2.535 36.649 ( -2.529 -5.950 5.599) 8.553 37.192 ( -0.172 -0.497 10.185) 10.198 37.839 ( 5.527 3.284 -1.942) 6.716 38.078 ( -1.652 -2.449 -2.301) 3.745 38.668 ( -0.643 9.150 -10.771) 14.148 39.539 ( -0.080 1.091 0.741) 1.321 39.758 ( 0.023 -3.906 8.397) 9.261 40.602 ( -0.424 -3.211 4.351) 5.424 40.778 ( -3.132 -3.858 3.924) 6.332 42.263 ( -0.528 8.433 -0.019) 8.450 42.650 ( 2.638 -1.805 0.991) 3.346 ======================= Grid point 137 (70/125) ======================= q-point: (-0.44 0.56 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 0.325 -0.113 34.886) 34.887 4.164 ( -5.585 10.254 20.485) 23.578 4.502 ( 5.031 -0.704 12.447) 13.444 4.713 ( 7.046 3.920 12.706) 15.049 5.174 ( -5.488 5.344 -4.142) 8.708 5.780 ( -3.963 -3.791 -7.207) 9.056 6.124 ( 14.171 -2.591 1.752) 14.512 6.445 ( -8.156 -2.456 6.059) 10.453 6.710 ( -0.559 -9.923 -4.710) 10.999 6.998 ( -8.643 6.901 -2.778) 11.403 7.473 ( 6.450 2.488 1.327) 7.039 7.883 ( -3.608 -0.662 3.750) 5.246 8.355 ( 3.944 1.969 10.904) 11.762 8.532 ( -2.576 -3.488 -4.325) 6.124 8.868 ( 1.683 -3.024 -7.604) 8.355 9.022 ( -6.019 -0.392 -10.805) 12.375 9.483 ( 5.952 3.571 -14.358) 15.948 9.844 ( 2.720 6.854 -15.065) 16.773 9.867 ( -6.581 -5.666 1.588) 8.828 10.189 ( 0.960 3.901 2.934) 4.975 10.424 ( -2.238 -2.569 -5.706) 6.646 10.670 ( 7.693 -0.958 3.662) 8.574 10.802 ( -2.672 -2.135 -1.704) 3.821 11.410 ( 0.499 2.960 -3.711) 4.772 11.631 ( 5.208 1.306 3.060) 6.180 11.962 ( 0.035 2.369 0.863) 2.521 12.036 ( -0.377 -4.242 2.893) 5.148 12.374 ( -6.442 -6.948 9.329) 13.297 12.785 ( 0.158 -2.136 9.164) 9.411 13.299 ( -2.921 2.164 5.236) 6.374 13.601 ( 6.202 -8.546 -3.902) 11.256 13.971 ( -6.557 4.661 -13.237) 15.490 14.276 ( 4.041 -7.023 -2.443) 8.463 14.588 ( 4.340 -3.337 3.082) 6.282 14.771 ( -5.002 -8.015 4.994) 10.686 15.301 ( 7.419 -4.258 0.860) 8.597 15.852 ( -5.522 -0.855 0.973) 5.672 16.377 ( -1.167 7.394 -0.953) 7.546 16.724 ( 4.605 3.553 -12.041) 13.373 16.971 ( -4.777 2.455 -9.173) 10.629 17.175 ( 1.479 -0.276 -4.451) 4.699 17.496 ( -0.671 3.668 -3.842) 5.354 17.856 ( -2.839 10.582 4.624) 11.892 18.061 ( -0.145 9.208 -1.508) 9.331 18.494 ( 0.088 -2.024 -0.900) 2.217 18.893 ( 3.259 0.884 -1.139) 3.563 19.055 ( -1.809 4.948 -3.474) 6.311 19.465 ( -0.721 7.333 1.386) 7.497 20.063 ( -1.075 0.291 3.720) 3.883 20.257 ( 3.941 -4.096 6.151) 8.375 20.534 ( -2.282 -2.745 5.268) 6.363 20.920 ( 2.344 -8.562 5.151) 10.263 21.301 ( -0.727 -1.311 -1.856) 2.386 21.470 ( 0.025 -1.211 0.301) 1.248 21.826 ( -0.879 2.743 1.955) 3.481 22.086 ( -2.687 -2.677 -0.783) 3.873 22.326 ( 3.746 3.126 -11.685) 12.663 26.504 ( -0.239 5.475 -1.638) 5.720 26.878 ( -4.005 0.884 -0.369) 4.118 26.974 ( 3.992 1.508 -0.121) 4.269 29.929 ( 0.139 3.532 -4.432) 5.669 30.312 ( -0.843 -2.956 12.229) 12.610 30.587 ( 0.428 -3.522 -3.575) 5.037 36.425 ( 0.993 -1.403 4.164) 4.505 36.643 ( -2.066 -7.433 2.981) 8.271 37.395 ( 0.344 0.455 11.036) 11.051 37.867 ( -2.103 5.285 -0.474) 5.707 38.013 ( 2.574 3.029 -5.814) 7.043 38.574 ( 1.804 4.356 -3.916) 6.129 39.595 ( -0.903 1.184 4.855) 5.079 39.861 ( 1.756 -3.796 5.167) 6.648 40.598 ( -3.827 -5.046 0.962) 6.406 40.806 ( 0.252 -8.156 5.099) 9.622 42.306 ( -7.103 8.897 1.088) 11.437 42.754 ( 8.170 4.833 5.495) 10.968 ======================= Grid point 139 (71/125) ======================= q-point: (-0.33 0.56 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -9.250 -0.007 31.735) 33.055 4.465 ( -17.463 3.331 23.612) 29.556 4.754 ( 4.969 0.177 10.642) 11.747 5.032 ( -1.685 2.317 4.851) 5.634 5.291 ( 14.582 5.260 5.178) 16.343 5.543 ( -0.293 -1.979 -4.013) 4.485 6.108 ( -6.959 -10.955 -3.215) 13.371 6.281 ( 2.641 -8.802 -9.235) 13.028 6.713 ( 3.902 -1.793 6.215) 7.554 6.998 ( 1.218 8.675 1.058) 8.824 7.530 ( 3.275 11.749 -8.294) 14.749 7.945 ( -4.921 -0.635 7.216) 8.758 8.368 ( -5.659 1.906 -6.190) 8.601 8.458 ( -2.777 1.138 -10.999) 11.401 8.758 ( 3.009 -2.163 0.676) 3.767 8.958 ( 0.103 -1.590 8.276) 8.428 9.331 ( 9.041 7.953 -14.609) 18.932 9.641 ( 3.243 3.249 -13.905) 14.643 9.801 ( -6.208 -7.129 2.607) 9.806 10.143 ( -2.808 0.291 -6.264) 6.870 10.379 ( 3.413 -0.225 1.874) 3.900 10.665 ( -6.942 -0.638 -0.329) 6.979 10.908 ( 12.014 -2.934 1.227) 12.428 11.367 ( 0.901 3.253 -0.938) 3.503 11.643 ( -3.438 -2.591 -5.881) 7.289 11.969 ( -3.040 1.333 3.526) 4.843 12.168 ( 4.284 -0.251 11.664) 12.428 12.491 ( -6.019 -4.063 13.476) 15.308 12.879 ( -0.292 -3.530 3.097) 4.705 13.205 ( -6.381 -6.659 -7.013) 11.586 13.517 ( 6.931 -2.349 -13.917) 15.724 13.729 ( -2.768 -2.696 -10.282) 10.984 14.235 ( -0.886 -6.766 5.951) 9.054 14.615 ( 0.927 -12.482 -1.204) 12.574 14.917 ( 8.959 0.503 13.011) 15.805 15.421 ( 8.119 -5.193 3.900) 10.397 15.845 ( -5.461 0.464 6.188) 8.266 16.350 ( -2.263 14.486 -9.255) 17.338 16.496 ( 0.199 1.493 -11.103) 11.205 16.855 ( -3.265 -0.056 -3.038) 4.460 17.155 ( 0.967 4.289 -0.450) 4.420 17.444 ( 0.839 4.789 -5.719) 7.506 17.847 ( -3.364 6.002 -3.420) 7.684 18.141 ( 0.620 8.881 0.349) 8.909 18.500 ( -0.429 -0.137 2.326) 2.369 18.925 ( 2.499 3.747 0.143) 4.506 18.996 ( -1.304 5.383 -4.613) 7.208 19.487 ( -2.053 6.780 -2.471) 7.502 20.100 ( 0.614 -3.044 0.346) 3.124 20.341 ( 1.847 -4.004 1.818) 4.769 20.598 ( -1.682 -0.613 6.169) 6.423 21.012 ( 1.721 -2.335 7.838) 8.357 21.263 ( -1.253 -3.904 2.898) 5.021 21.483 ( 1.979 -2.334 -0.632) 3.125 21.847 ( -2.953 1.399 0.980) 3.412 21.995 ( -3.858 -1.465 -3.221) 5.235 22.238 ( 5.424 0.206 -6.538) 8.497 26.522 ( -0.304 8.230 -1.232) 8.327 26.843 ( -4.583 0.704 1.393) 4.842 27.006 ( 4.437 0.228 -1.765) 4.781 29.936 ( 0.209 3.642 3.097) 4.785 30.411 ( -2.162 -3.125 -3.289) 5.025 30.520 ( 2.239 -4.288 2.716) 5.548 36.474 ( -0.024 -4.328 2.675) 5.088 36.692 ( 1.580 -1.856 6.089) 6.559 37.521 ( 1.097 -1.160 2.623) 3.070 37.825 ( -7.388 7.909 -2.793) 11.178 37.976 ( 5.321 5.060 -5.512) 9.181 38.637 ( 3.298 0.007 5.840) 6.707 39.673 ( -1.485 -0.804 5.105) 5.377 39.927 ( 3.376 -1.637 1.183) 3.934 40.547 ( -3.801 -7.618 2.520) 8.879 40.848 ( 0.613 -6.628 3.552) 7.545 42.254 ( -8.396 5.336 -1.616) 10.079 43.019 ( 9.843 10.954 7.954) 16.737 ======================= Grid point 140 (72/125) ======================= q-point: (-0.22 0.56 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -8.961 -5.164 24.688) 26.767 4.567 ( -8.091 -6.873 -13.100) 16.862 4.771 ( -2.547 -5.108 -0.331) 5.717 4.945 ( -0.626 0.835 1.616) 1.924 5.327 ( 4.836 7.078 -3.570) 9.286 5.737 ( -5.251 -7.469 -1.675) 9.283 6.029 ( 4.704 -2.789 13.698) 14.749 6.305 ( 7.899 0.033 5.903) 9.861 6.782 ( -0.238 1.991 0.898) 2.197 7.155 ( 8.215 0.279 2.969) 8.740 7.397 ( 1.068 10.617 -9.096) 14.021 7.927 ( -10.840 6.353 -3.214) 12.969 8.174 ( -2.090 -1.443 -8.985) 9.337 8.427 ( -1.530 3.974 9.254) 10.186 8.791 ( 1.914 2.992 2.080) 4.116 9.064 ( 2.500 4.384 -3.904) 6.381 9.286 ( 10.816 8.099 -8.003) 15.704 9.485 ( 2.129 -0.159 -7.589) 7.883 9.820 ( -4.940 -8.871 11.324) 15.209 10.035 ( -7.554 -2.924 1.467) 8.232 10.465 ( 2.391 1.715 1.022) 3.115 10.570 ( -0.106 -1.588 -3.323) 3.685 10.967 ( 8.345 -6.763 -1.906) 10.909 11.301 ( -9.856 2.009 -10.318) 14.409 11.556 ( 3.297 3.243 4.616) 6.534 12.017 ( -2.443 4.836 2.171) 5.836 12.410 ( -0.348 -1.587 10.303) 10.431 12.595 ( -0.340 -8.566 5.312) 10.085 12.836 ( -4.449 -3.464 -7.653) 9.506 13.013 ( -1.070 -3.728 1.617) 4.202 13.333 ( 1.829 -6.633 -10.171) 12.280 13.516 ( -0.055 -3.415 -5.909) 6.825 14.237 ( -7.871 -11.218 1.808) 13.822 14.598 ( 2.165 -3.279 3.675) 5.380 15.222 ( 6.330 -1.358 9.854) 11.790 15.470 ( 4.682 -0.327 -1.854) 5.046 15.985 ( -0.390 3.861 7.673) 8.598 16.210 ( 5.439 7.094 -7.642) 11.761 16.473 ( -0.406 -2.302 4.580) 5.143 16.786 ( -2.769 3.449 -1.677) 4.730 17.160 ( -1.959 5.714 -7.397) 9.550 17.397 ( 1.173 8.311 -0.620) 8.416 17.815 ( 0.151 1.491 -0.945) 1.772 18.164 ( 0.270 7.992 -2.252) 8.307 18.528 ( -1.165 -1.070 1.387) 2.104 18.931 ( -1.532 3.957 -2.475) 4.912 19.008 ( 4.481 5.642 0.811) 7.251 19.404 ( -1.878 0.217 -6.341) 6.617 20.066 ( -0.177 -2.918 -0.890) 3.056 20.339 ( -2.141 -1.655 -0.041) 2.706 20.665 ( -1.057 1.601 3.187) 3.719 21.171 ( 1.163 -2.249 6.120) 6.623 21.341 ( 3.486 -4.493 5.919) 8.208 21.446 ( 0.203 1.356 -2.280) 2.660 21.834 ( -2.902 -2.522 0.888) 3.946 21.914 ( -1.878 0.212 -1.113) 2.193 22.173 ( 2.435 -0.580 -5.489) 6.033 26.522 ( 0.029 6.430 -3.355) 7.253 26.857 ( -2.023 0.525 2.575) 3.316 27.013 ( 2.815 0.750 -0.921) 3.056 30.057 ( -1.028 1.829 7.660) 7.942 30.244 ( 1.044 -0.945 -9.638) 9.741 30.578 ( -0.387 -4.203 3.285) 5.349 36.482 ( -1.417 -3.174 1.596) 3.825 36.815 ( 2.884 0.880 4.574) 5.478 37.526 ( 3.228 -1.702 -1.720) 4.035 37.750 ( -4.701 6.514 -3.304) 8.687 37.984 ( 2.196 3.345 -0.551) 4.039 38.768 ( 1.126 1.784 4.397) 4.877 39.730 ( -1.661 -2.664 4.369) 5.380 39.939 ( 3.699 1.045 -3.367) 5.110 40.525 ( -2.451 -11.046 3.626) 11.882 40.859 ( -1.474 -1.422 1.284) 2.417 42.187 ( -4.075 2.245 -1.130) 4.788 43.280 ( 7.351 12.639 3.936) 15.142 ======================= Grid point 141 (73/125) ======================= q-point: (-0.11 -0.44 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( 1.798 -11.149 -28.770) 30.907 4.086 ( 8.741 -16.908 -17.174) 25.637 4.779 ( -2.378 0.305 5.101) 5.637 5.013 ( -5.487 6.660 1.747) 8.804 5.414 ( -4.937 2.330 5.992) 8.106 5.574 ( -0.037 -0.181 1.211) 1.225 6.104 ( 0.039 1.369 -9.062) 9.165 6.578 ( 6.125 1.087 13.005) 14.416 6.772 ( -5.505 2.717 -3.944) 7.297 7.124 ( 7.056 1.861 -7.179) 10.237 7.484 ( 2.109 -2.844 4.555) 5.769 7.862 ( -1.945 4.197 4.049) 6.148 8.092 ( -3.434 -1.437 2.528) 4.500 8.497 ( 4.043 -1.139 -10.695) 11.490 8.946 ( 2.823 10.257 6.608) 12.523 9.042 ( 0.288 2.490 7.384) 7.798 9.268 ( 0.193 1.315 -4.119) 4.329 9.474 ( 1.251 4.617 0.489) 4.809 9.865 ( -4.680 -4.330 5.107) 8.169 10.093 ( -4.520 -4.932 11.491) 13.296 10.390 ( -3.248 -6.552 0.580) 7.335 10.613 ( 4.737 7.930 -3.172) 9.766 10.890 ( -2.518 -5.545 -3.807) 7.181 11.140 ( 3.696 5.525 -4.649) 8.112 11.713 ( 3.457 1.193 5.067) 6.249 12.064 ( 3.595 5.616 -0.912) 6.730 12.372 ( -0.865 -4.581 -16.991) 17.619 12.442 ( -8.786 -8.529 -1.901) 12.392 12.762 ( 4.177 -3.759 2.034) 5.976 13.100 ( -5.675 -5.397 7.280) 10.692 13.244 ( -0.722 -3.377 7.042) 7.843 13.527 ( 5.660 0.668 3.333) 6.602 14.114 ( -11.936 -10.053 4.842) 16.339 14.641 ( -2.249 2.706 -0.074) 3.519 15.285 ( -4.172 -0.377 -0.471) 4.216 15.529 ( 1.642 8.533 -0.189) 8.691 15.993 ( 4.554 0.352 -4.475) 6.395 16.291 ( 0.055 4.524 0.828) 4.599 16.566 ( 0.165 -2.115 3.111) 3.765 16.814 ( 2.401 -0.939 0.772) 2.691 16.981 ( 3.309 1.274 -3.480) 4.968 17.531 ( 1.054 6.499 5.616) 8.653 17.827 ( -0.082 0.710 2.181) 2.295 18.187 ( 2.010 5.318 -0.678) 5.725 18.500 ( -0.632 -2.308 -2.598) 3.532 18.910 ( 0.909 3.074 -1.828) 3.690 19.114 ( 4.333 5.042 2.443) 7.083 19.312 ( 1.581 -3.725 -0.768) 4.119 20.048 ( -0.478 -1.757 0.179) 1.829 20.292 ( -2.807 -0.161 -1.303) 3.098 20.683 ( -0.356 -1.060 -1.447) 1.828 21.203 ( 0.121 -1.677 0.062) 1.682 21.282 ( -0.322 1.568 -9.091) 9.231 21.535 ( 0.789 1.823 3.233) 3.795 21.786 ( -0.745 -5.980 -0.682) 6.065 21.945 ( 0.213 0.097 3.263) 3.272 22.128 ( -0.099 1.047 1.424) 1.770 26.511 ( 3.252 2.359 -1.703) 4.364 26.841 ( 1.674 -1.311 -4.097) 4.616 27.065 ( -1.828 3.135 4.283) 5.614 30.032 ( 1.953 -0.938 -6.971) 7.299 30.266 ( -1.711 1.657 7.606) 7.970 30.574 ( -1.949 -2.238 0.281) 2.981 36.462 ( -2.201 -1.142 -0.509) 2.531 36.870 ( -0.523 2.060 -1.150) 2.416 37.552 ( 7.761 -1.358 -0.325) 7.886 37.701 ( -2.987 1.265 -0.361) 3.264 38.038 ( 0.035 2.745 3.541) 4.481 38.788 ( -2.736 5.044 -3.467) 6.704 39.745 ( -2.834 -2.592 1.114) 3.999 39.921 ( 4.450 3.958 -4.339) 7.369 40.475 ( -3.749 -12.274 1.978) 12.985 40.863 ( -2.453 2.937 0.840) 3.917 42.163 ( 1.903 -2.964 -0.452) 3.551 43.408 ( 2.082 13.061 -3.257) 13.622 ======================= Grid point 144 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 27.751 -32.193 -13.991) 44.747 2.736 ( 48.280 -7.256 -21.947) 53.528 3.412 ( 46.523 -10.580 18.050) 51.011 4.619 ( -5.117 0.390 -0.968) 5.222 4.917 ( 3.016 1.786 1.561) 3.837 5.660 ( 11.980 -5.236 2.192) 13.257 6.380 ( -8.531 3.773 -3.303) 9.896 6.579 ( -6.950 1.721 4.734) 8.583 6.744 ( -7.127 0.603 -8.129) 10.828 7.033 ( -17.480 4.721 7.934) 19.768 7.632 ( -5.699 16.792 2.752) 17.945 8.058 ( -4.366 -12.252 0.351) 13.011 8.588 ( -0.730 1.370 -1.125) 1.918 8.733 ( -6.912 -0.673 -0.503) 6.963 8.864 ( 5.384 1.037 -3.536) 6.524 9.315 ( -0.670 -2.269 -9.338) 9.633 9.573 ( -5.724 3.584 9.734) 11.847 9.765 ( 7.546 4.555 11.539) 14.520 9.965 ( -5.549 -5.244 2.493) 8.032 10.249 ( 10.425 -3.592 -7.780) 13.495 10.461 ( -0.240 3.344 4.176) 5.355 10.729 ( 4.239 -4.813 -4.758) 7.985 11.123 ( -10.741 6.032 -5.009) 13.299 11.272 ( -5.167 1.171 2.540) 5.875 11.696 ( -1.544 3.896 -11.129) 11.892 11.835 ( -1.376 -0.559 -2.523) 2.928 12.190 ( -1.305 -5.004 8.851) 10.251 12.433 ( -5.487 2.968 -0.301) 6.246 12.788 ( -10.962 1.947 0.944) 11.174 13.260 ( 4.631 3.788 11.168) 12.669 13.282 ( -5.832 0.468 -1.158) 5.965 13.878 ( 7.954 4.131 4.009) 9.818 14.469 ( -0.510 -3.447 -3.639) 5.038 14.712 ( -3.983 -5.262 0.833) 6.652 14.905 ( -3.124 4.617 2.492) 6.107 15.444 ( -4.776 1.838 7.931) 9.439 15.805 ( -0.191 1.662 -0.467) 1.737 16.335 ( 2.707 -1.538 -5.653) 6.453 16.545 ( 10.488 -5.535 -2.248) 12.070 16.917 ( 9.443 -0.614 -1.272) 9.548 17.323 ( -4.396 -0.191 7.643) 8.819 17.708 ( 3.860 -3.272 -9.615) 10.865 17.854 ( 2.074 2.220 -12.456) 12.821 18.147 ( 3.051 -1.161 -5.246) 6.179 18.295 ( 3.473 -2.165 12.183) 12.852 18.917 ( 1.563 -0.729 -1.951) 2.604 19.127 ( -1.700 0.466 -0.074) 1.765 19.428 ( -0.621 -0.806 -5.491) 5.585 19.965 ( 0.065 0.783 4.313) 4.384 20.227 ( -2.382 0.920 -4.965) 5.583 20.418 ( -4.463 3.630 5.328) 7.841 20.721 ( 0.732 -1.755 3.545) 4.023 21.378 ( -0.055 0.962 1.869) 2.103 21.471 ( 1.855 -2.663 -0.759) 3.333 21.840 ( -0.070 0.412 -2.725) 2.757 21.990 ( 3.246 -2.703 1.612) 4.521 22.830 ( -8.909 4.876 -2.818) 10.540 26.579 ( 0.623 -1.177 -1.952) 2.363 26.792 ( 2.811 1.959 2.219) 4.083 26.898 ( 4.249 -3.335 -3.750) 6.575 29.785 ( 4.382 -1.549 0.556) 4.680 30.410 ( -5.936 1.949 -3.315) 7.072 30.563 ( -1.115 0.596 4.101) 4.292 36.407 ( -3.435 1.193 -0.644) 3.693 36.603 ( -3.412 1.571 7.911) 8.757 37.090 ( 2.152 -1.755 0.520) 2.825 37.655 ( 7.727 -2.304 -2.873) 8.559 38.147 ( 0.279 -0.784 -0.133) 0.842 38.846 ( -1.260 2.288 -7.287) 7.741 39.531 ( 2.024 -0.605 -1.258) 2.459 39.703 ( -4.183 0.596 2.657) 4.992 40.516 ( -2.389 1.344 6.491) 7.046 40.839 ( -3.019 0.685 2.121) 3.753 42.182 ( 6.301 -2.209 -2.660) 7.187 42.657 ( -0.720 0.009 -3.749) 3.817 ======================= Grid point 145 (75/125) ======================= q-point: ( 0.33 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 21.706 -12.639 21.022) 32.754 3.066 ( 44.809 5.086 6.929) 45.626 4.101 ( 20.572 -5.921 22.646) 31.162 4.591 ( -4.177 -0.540 3.319) 5.363 5.112 ( 13.394 5.099 8.502) 16.664 5.784 ( 5.256 -3.502 1.439) 6.478 6.159 ( -17.296 3.864 -6.574) 18.902 6.529 ( 1.352 -7.576 -0.269) 7.701 6.718 ( -0.452 4.506 6.993) 8.331 7.062 ( -16.410 1.906 10.845) 19.762 7.629 ( -1.055 6.220 -12.474) 13.978 7.923 ( -3.077 -8.920 -0.618) 9.456 8.410 ( -0.778 5.472 -12.029) 13.238 8.651 ( -8.935 -1.432 -0.193) 9.052 8.888 ( 3.076 -2.317 -1.186) 4.030 9.195 ( 3.707 3.482 -7.113) 8.745 9.685 ( -6.913 -1.810 1.304) 7.264 9.878 ( -1.705 1.046 5.408) 5.766 10.024 ( 1.779 1.443 -4.611) 5.148 10.194 ( 1.836 -6.156 2.216) 6.795 10.410 ( -8.047 -0.169 -1.370) 8.164 10.787 ( 8.961 -1.664 4.670) 10.241 10.889 ( -7.172 8.214 -16.488) 19.768 11.326 ( -0.185 3.162 4.177) 5.243 11.466 ( 2.985 -1.675 -11.341) 11.847 11.828 ( 3.570 0.060 1.283) 3.793 12.191 ( -2.281 5.882 -8.104) 10.270 12.404 ( -10.104 -14.570 12.194) 21.519 12.831 ( -7.289 6.197 7.210) 11.980 13.215 ( -1.976 -1.118 2.316) 3.243 13.517 ( 6.478 2.822 2.663) 7.551 14.025 ( 5.645 -8.118 6.713) 11.951 14.245 ( -0.525 -0.807 -10.690) 10.733 14.734 ( -3.589 -1.122 3.109) 4.879 14.944 ( -10.283 -2.904 5.371) 11.959 15.335 ( -1.054 -1.899 -12.057) 12.251 15.879 ( 0.246 1.887 5.026) 5.374 16.307 ( 3.462 0.820 -1.595) 3.899 16.603 ( 8.751 2.629 -1.719) 9.298 17.012 ( 5.323 -3.704 2.112) 6.820 17.331 ( -2.206 -1.982 -3.698) 4.741 17.624 ( -5.949 6.798 -2.365) 9.338 17.718 ( 4.913 7.468 -3.588) 9.632 18.084 ( 2.020 3.775 -5.154) 6.700 18.459 ( 3.445 -3.701 3.461) 6.127 18.871 ( 0.362 -1.036 -3.427) 3.599 19.103 ( -0.431 1.654 -1.352) 2.179 19.389 ( 0.603 4.446 -0.183) 4.490 20.052 ( -0.252 1.692 3.752) 4.124 20.172 ( -1.860 -2.361 1.446) 3.336 20.496 ( -3.257 1.898 6.135) 7.200 20.808 ( 2.853 -7.176 5.847) 9.687 21.329 ( -0.480 -2.546 -3.402) 4.277 21.490 ( 0.492 -1.326 1.517) 2.074 21.804 ( 0.270 1.939 -1.613) 2.537 22.029 ( 4.057 -2.971 0.887) 5.106 22.609 ( -6.255 4.870 -14.432) 16.466 26.531 ( 0.192 1.786 -3.682) 4.097 26.823 ( 6.726 2.091 -4.361) 8.284 26.935 ( -1.229 -0.968 6.030) 6.230 29.919 ( 2.312 -0.181 7.269) 7.630 30.254 ( -3.590 1.692 -5.338) 6.652 30.635 ( -1.973 -1.822 3.760) 4.620 36.391 ( -2.358 0.355 1.477) 2.805 36.712 ( -3.528 -4.411 7.024) 9.013 37.202 ( -0.785 -0.764 11.353) 11.406 37.694 ( 7.536 1.905 -0.888) 7.823 38.121 ( -1.685 -2.223 -0.648) 2.864 38.697 ( -2.246 7.130 -10.323) 12.745 39.533 ( 0.706 1.525 1.087) 2.001 39.770 ( -1.429 -3.478 6.933) 7.887 40.596 ( 0.310 -1.048 3.419) 3.590 40.857 ( -3.918 -2.731 3.517) 5.931 42.194 ( 7.690 6.269 -2.215) 10.166 42.675 ( -5.740 -1.724 6.793) 9.059 ======================= Grid point 146 (76/125) ======================= q-point: ( 0.44 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 14.426 0.865 36.548) 39.301 3.781 ( 32.989 7.522 24.403) 41.717 4.520 ( 0.627 -0.609 17.964) 17.985 4.673 ( -2.261 1.044 12.773) 13.013 5.277 ( -0.037 5.608 -7.303) 9.208 5.804 ( 5.845 -1.973 1.923) 6.462 5.960 ( -7.282 -1.348 -4.629) 8.734 6.577 ( -1.700 -1.528 4.301) 4.871 6.792 ( -5.322 -8.103 2.622) 10.043 7.158 ( -7.257 2.643 0.542) 7.742 7.352 ( 2.536 0.763 -3.848) 4.671 7.920 ( 0.515 -0.851 2.916) 3.081 8.308 ( 1.980 6.896 -4.567) 8.505 8.549 ( -0.742 -2.248 -4.887) 5.430 8.842 ( 0.617 -3.363 -4.008) 5.268 9.133 ( -4.075 -0.153 -1.836) 4.472 9.475 ( -5.418 0.017 -12.382) 13.515 9.796 ( 1.196 1.084 -16.990) 17.066 10.039 ( -7.268 0.613 6.206) 9.577 10.155 ( 0.582 0.915 -2.751) 2.957 10.429 ( 1.998 -4.179 4.204) 6.255 10.598 ( -3.598 5.490 -10.163) 12.099 10.884 ( -3.055 -2.125 1.769) 4.120 11.301 ( 10.239 1.193 -11.641) 15.549 11.538 ( 3.325 0.984 11.836) 12.334 11.923 ( 3.865 1.231 3.673) 5.472 12.078 ( -2.894 3.041 -2.843) 5.070 12.441 ( -3.387 -14.243 9.490) 17.447 12.858 ( -5.008 -0.756 2.390) 5.600 13.319 ( 1.325 4.634 6.511) 8.101 13.508 ( 3.641 -5.443 -5.390) 8.481 13.993 ( 6.340 -8.234 -12.364) 16.151 14.217 ( -1.352 2.220 2.663) 3.721 14.663 ( -11.004 -2.247 -0.407) 11.238 14.895 ( -6.486 -9.738 5.375) 12.876 15.213 ( 0.958 -2.785 1.260) 3.204 15.926 ( -2.360 -0.827 1.900) 3.141 16.344 ( 4.478 5.167 -1.109) 6.927 16.637 ( 4.043 8.397 -7.264) 11.816 16.947 ( 3.948 -0.533 -12.008) 12.652 17.225 ( -2.424 -2.055 -1.695) 3.601 17.546 ( -4.781 4.806 -2.925) 7.383 17.889 ( -0.839 9.093 5.935) 10.891 18.049 ( 1.628 8.985 -3.014) 9.616 18.467 ( 2.411 -2.189 -1.530) 3.597 18.842 ( 1.600 1.064 -0.837) 2.096 19.088 ( -1.311 4.858 -2.053) 5.434 19.439 ( 2.801 6.852 -0.700) 7.435 20.092 ( -1.435 0.948 1.439) 2.242 20.211 ( 0.686 -6.265 6.020) 8.716 20.572 ( -0.958 -0.545 4.466) 4.600 20.873 ( 1.553 -7.132 5.443) 9.105 21.301 ( 0.763 -1.968 0.427) 2.154 21.488 ( -1.881 -1.782 0.321) 2.611 21.830 ( 0.753 2.331 2.383) 3.418 22.062 ( 4.889 -2.322 -0.542) 5.440 22.336 ( -4.529 2.964 -13.161) 14.231 26.500 ( 0.660 5.226 -2.345) 5.766 26.834 ( 5.996 1.114 -2.397) 6.553 26.998 ( -4.065 0.770 3.622) 5.499 29.938 ( -1.127 3.352 -3.833) 5.215 30.304 ( 1.471 -2.830 9.773) 10.280 30.611 ( -2.641 -2.930 -2.336) 4.584 36.416 ( -0.243 -1.439 3.070) 3.399 36.713 ( -4.749 -7.176 3.315) 9.222 37.403 ( -0.729 2.008 10.643) 10.855 37.775 ( 7.235 4.506 -0.638) 8.547 38.072 ( -4.975 0.845 -1.517) 5.270 38.565 ( -1.135 4.516 -5.311) 7.063 39.605 ( -0.235 1.933 5.221) 5.573 39.839 ( 0.540 -4.292 4.122) 5.975 40.630 ( 0.483 -2.805 1.307) 3.132 40.839 ( -3.312 -8.286 2.781) 9.347 42.319 ( 7.637 8.164 0.456) 11.188 42.735 ( -8.385 4.150 9.023) 12.998 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.56 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 4.553 0.287 35.381) 35.674 4.476 ( 17.710 3.437 21.389) 27.981 4.711 ( -1.463 -0.464 8.569) 8.706 5.000 ( 6.653 -0.022 -2.939) 7.273 5.171 ( -7.488 9.671 17.265) 21.159 5.594 ( -3.727 -9.644 -13.144) 16.723 6.052 ( 8.830 -3.404 6.335) 11.389 6.448 ( -14.304 -10.025 -10.057) 20.156 6.719 ( -4.782 -2.034 4.153) 6.652 6.995 ( -1.658 7.979 -5.364) 9.756 7.498 ( 0.896 11.212 -0.239) 11.250 7.993 ( -0.462 -0.853 5.063) 5.155 8.269 ( 8.416 0.470 -14.607) 16.864 8.541 ( 4.576 3.430 4.494) 7.273 8.743 ( -5.099 -0.329 -2.871) 5.861 9.061 ( -8.056 -2.670 3.049) 9.018 9.232 ( -0.667 7.600 -13.835) 15.799 9.557 ( 4.424 -0.179 -13.352) 14.066 9.977 ( -8.992 -2.240 1.280) 9.355 10.129 ( 1.787 -1.972 -2.514) 3.661 10.377 ( -1.978 -1.724 -1.719) 3.137 10.680 ( 9.919 -0.736 3.401) 10.512 10.812 ( -6.994 -0.740 -1.624) 7.218 11.247 ( 9.853 3.255 -4.732) 11.405 11.715 ( -3.213 -0.979 2.669) 4.291 12.004 ( -0.396 0.345 5.299) 5.325 12.127 ( 0.981 0.810 8.941) 9.031 12.515 ( 1.808 -8.275 7.328) 11.200 12.885 ( 0.581 -2.574 4.036) 4.822 13.294 ( -3.609 -4.971 -11.314) 12.874 13.434 ( 3.022 -2.319 -6.301) 7.363 13.765 ( 1.126 -3.050 -10.178) 10.684 14.243 ( -0.339 -2.500 2.316) 3.424 14.554 ( 0.900 -14.439 1.379) 14.532 14.925 ( -7.490 -3.241 10.559) 13.345 15.317 ( 1.854 -2.129 7.580) 8.089 15.934 ( -3.020 -0.777 4.164) 5.203 16.340 ( 2.915 10.061 -12.307) 16.162 16.530 ( -2.992 5.827 -5.308) 8.430 16.835 ( 3.504 1.705 -4.332) 5.827 17.212 ( -2.635 2.486 1.875) 4.079 17.435 ( -2.326 5.342 -9.332) 11.001 17.878 ( 0.079 3.933 -5.824) 7.029 18.137 ( 0.283 10.576 0.725) 10.605 18.493 ( 1.065 0.146 3.240) 3.414 18.869 ( 2.291 3.519 -0.047) 4.200 19.048 ( -3.139 6.215 -3.836) 7.950 19.473 ( 3.208 5.619 -3.510) 7.361 20.091 ( 0.035 -2.724 -0.314) 2.742 20.288 ( 2.936 -4.092 4.053) 6.464 20.642 ( -2.009 0.455 4.971) 5.381 20.984 ( 0.507 -4.012 10.362) 11.123 21.293 ( -0.794 -5.240 1.712) 5.569 21.465 ( -0.778 -0.115 -1.014) 1.283 21.889 ( -1.041 1.465 2.348) 2.957 22.071 ( -0.810 -1.323 -1.536) 2.183 22.125 ( 2.680 -0.287 -9.176) 9.563 26.516 ( 0.962 7.931 -1.680) 8.164 26.874 ( 3.261 1.307 1.083) 3.677 26.981 ( -3.708 -0.092 -1.171) 3.889 29.936 ( -0.193 3.645 3.200) 4.854 30.409 ( 2.272 -3.188 -4.425) 5.908 30.525 ( -2.687 -4.212 3.591) 6.153 36.464 ( 1.054 -3.500 3.501) 5.061 36.706 ( -3.236 -3.264 4.430) 6.383 37.522 ( -0.882 0.030 3.187) 3.307 37.851 ( 7.052 6.983 -3.154) 10.413 37.966 ( -6.830 5.859 -5.109) 10.348 38.591 ( 1.039 -0.617 6.736) 6.844 39.698 ( -1.083 -0.637 5.289) 5.437 39.878 ( 1.682 -2.231 1.395) 3.123 40.615 ( -2.228 -5.255 0.929) 5.783 40.828 ( 0.659 -8.286 3.130) 8.882 42.354 ( 0.451 3.038 -4.644) 5.568 42.919 ( -1.842 13.096 11.879) 17.777 ======================= Grid point 148 (78/125) ======================= q-point: (-0.33 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.096 ( -5.482 -7.434 21.398) 23.307 4.554 ( 5.028 -10.497 -29.887) 32.073 4.780 ( 0.655 -3.117 -5.227) 6.121 4.974 ( 3.644 3.930 13.341) 14.377 5.294 ( -1.240 5.253 2.377) 5.898 5.817 ( 7.148 -1.157 26.791) 27.753 6.003 ( -13.438 -8.162 -11.891) 19.713 6.237 ( -0.229 -2.909 7.012) 7.595 6.752 ( 3.901 0.932 -1.824) 4.407 7.012 ( 2.048 4.604 2.699) 5.716 7.434 ( -4.256 11.401 -10.023) 15.765 8.027 ( 5.618 -3.107 -7.062) 9.544 8.148 ( 1.183 5.731 0.292) 5.859 8.569 ( -10.805 8.590 -2.216) 13.981 8.761 ( 2.227 4.574 6.375) 8.156 9.027 ( 1.709 3.760 -5.889) 7.193 9.119 ( 2.804 5.038 -5.193) 7.760 9.454 ( 0.942 -0.472 -0.896) 1.383 9.945 ( -6.473 -4.794 5.222) 9.600 10.129 ( 0.709 -0.889 3.204) 3.400 10.352 ( 2.755 -2.232 -1.132) 3.722 10.660 ( -3.324 -6.013 -5.229) 8.634 10.798 ( 5.352 -1.143 1.301) 5.625 11.366 ( 5.100 2.790 1.275) 5.951 11.579 ( -6.044 0.358 -5.203) 7.983 12.067 ( -1.806 3.702 -0.091) 4.120 12.382 ( 3.163 -5.333 16.481) 17.609 12.588 ( 0.928 -2.757 -0.310) 2.925 12.882 ( -0.765 -5.758 -3.359) 6.710 13.001 ( -0.598 -5.177 -9.564) 10.892 13.311 ( 0.929 -6.391 -4.886) 8.098 13.598 ( -4.889 -4.146 -4.197) 7.662 14.272 ( 3.380 -8.478 1.992) 9.341 14.594 ( 0.105 -6.999 7.403) 10.188 15.099 ( 1.971 -3.079 14.878) 15.321 15.409 ( 1.425 -1.195 2.604) 3.200 16.038 ( -2.588 2.037 10.030) 10.557 16.138 ( 0.296 10.047 -14.999) 18.056 16.502 ( -1.951 1.133 0.393) 2.290 16.833 ( -1.269 2.598 -1.199) 3.130 17.186 ( -2.268 7.787 -7.543) 11.076 17.355 ( 4.228 6.908 -1.558) 8.248 17.805 ( 0.339 1.035 -4.174) 4.314 18.178 ( -0.703 10.192 -1.417) 10.314 18.553 ( -1.032 0.705 2.115) 2.457 18.918 ( 3.735 4.397 -0.717) 5.814 18.983 ( -3.267 5.196 -2.688) 6.701 19.419 ( 0.449 0.483 -6.903) 6.935 20.060 ( 0.392 -3.816 -0.510) 3.870 20.361 ( 0.953 0.224 2.549) 2.731 20.664 ( 0.046 1.120 -1.048) 1.535 21.179 ( -1.022 -5.310 12.883) 13.971 21.302 ( 0.394 -5.396 2.072) 5.793 21.438 ( -0.259 2.809 -1.025) 3.002 21.880 ( -2.077 -0.027 -2.898) 3.566 21.965 ( -2.086 -1.835 -1.923) 3.379 22.101 ( 4.127 -1.276 -2.002) 4.761 26.520 ( 0.237 7.491 -4.185) 8.584 26.889 ( -0.882 -0.524 -3.629) 3.771 26.974 ( 0.682 1.930 5.027) 5.428 30.067 ( -0.068 2.038 7.886) 8.145 30.233 ( 0.148 -0.938 -9.992) 10.037 30.582 ( -0.126 -4.849 4.044) 6.315 36.510 ( -0.569 -2.752 3.294) 4.330 36.761 ( 1.209 -0.514 3.876) 4.093 37.510 ( -1.231 -2.231 -1.911) 3.185 37.805 ( -0.335 8.068 -7.743) 11.188 37.952 ( 0.310 4.311 2.095) 4.803 38.748 ( 1.143 2.460 7.759) 8.219 39.753 ( -0.453 -3.886 3.872) 5.504 39.887 ( 0.971 0.204 -1.567) 1.855 40.578 ( -2.656 -9.417 2.328) 10.057 40.854 ( 1.887 -3.549 2.116) 4.542 42.252 ( -1.679 1.565 -6.776) 7.154 43.188 ( 1.384 15.849 8.828) 18.194 ======================= Grid point 149 (79/125) ======================= q-point: (-0.22 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 5.542 -13.029 -44.162) 46.376 4.008 ( -0.349 -21.329 -18.626) 28.319 4.816 ( -1.432 0.924 9.880) 10.026 5.101 ( -2.147 6.135 -6.293) 9.047 5.478 ( 0.168 2.857 11.693) 12.038 5.672 ( -11.554 2.646 -2.929) 12.210 6.123 ( -1.464 3.637 -11.024) 11.701 6.386 ( 12.294 -6.649 18.603) 23.269 6.757 ( 3.212 5.631 -3.337) 7.291 7.091 ( -2.333 1.216 3.561) 4.427 7.423 ( 4.091 0.104 4.441) 6.039 7.905 ( -1.039 -2.187 -4.752) 5.333 8.176 ( -1.965 -4.515 -3.199) 5.872 8.441 ( -0.337 10.309 -10.192) 14.500 8.952 ( -1.417 7.374 5.849) 9.518 9.052 ( -0.205 4.324 7.487) 8.649 9.176 ( 4.317 8.097 7.404) 11.791 9.498 ( -3.179 0.888 6.586) 7.367 9.928 ( -0.312 0.275 -1.859) 1.905 10.167 ( -3.441 -8.086 4.207) 9.743 10.426 ( 8.496 3.992 3.470) 10.008 10.534 ( -5.706 -3.871 0.362) 6.905 10.840 ( 4.159 -4.523 -0.422) 6.159 11.218 ( -7.848 5.849 -8.906) 13.233 11.652 ( 2.611 -1.375 6.321) 6.976 12.024 ( 1.171 1.973 -5.483) 5.944 12.346 ( 2.753 -6.506 -18.862) 20.141 12.615 ( -1.956 -5.291 7.845) 9.662 12.715 ( -4.293 -6.942 -6.266) 10.290 13.023 ( 6.322 -2.252 8.128) 10.540 13.309 ( -0.860 -6.058 7.489) 9.671 13.528 ( -5.315 -2.065 4.056) 6.998 14.260 ( -1.414 -8.706 1.663) 8.976 14.680 ( -2.483 -0.073 5.576) 6.104 15.337 ( 0.634 -5.553 11.402) 12.699 15.475 ( 1.480 9.818 1.034) 9.983 15.936 ( 0.527 3.484 -8.912) 9.583 16.268 ( 1.787 4.573 7.764) 9.186 16.522 ( 2.720 -3.587 2.707) 5.253 16.782 ( -1.387 -0.240 -0.555) 1.513 17.013 ( -1.976 7.108 -14.393) 16.174 17.495 ( 2.659 6.846 6.670) 9.920 17.784 ( 3.309 -0.063 0.475) 3.343 18.206 ( -2.322 10.180 -0.379) 10.448 18.529 ( -2.299 0.102 -3.566) 4.244 18.912 ( -0.504 3.873 -3.123) 5.001 19.020 ( 4.201 4.428 1.850) 6.378 19.295 ( -0.005 -3.536 -4.833) 5.989 20.053 ( 0.008 -3.235 1.438) 3.541 20.359 ( -3.641 1.472 -1.666) 4.266 20.656 ( 3.668 -0.530 -2.937) 4.728 21.229 ( -3.324 -5.692 0.880) 6.650 21.269 ( 1.050 1.473 -5.640) 5.922 21.519 ( 1.135 -0.479 6.324) 6.443 21.801 ( -0.959 -2.285 -2.512) 3.529 21.940 ( 0.920 -0.346 -1.332) 1.656 22.120 ( 0.193 -1.316 4.250) 4.453 26.472 ( 0.728 3.993 -4.667) 6.185 26.812 ( 1.179 -0.982 -4.855) 5.092 27.094 ( -0.961 3.513 5.854) 6.895 30.005 ( 0.793 -0.989 -7.945) 8.046 30.295 ( -1.027 2.218 8.678) 9.016 30.596 ( -0.399 -3.382 1.412) 3.687 36.519 ( -3.214 -0.436 0.710) 3.321 36.838 ( 3.603 0.009 1.748) 4.004 37.444 ( 1.727 -2.626 -3.256) 4.526 37.750 ( -1.094 4.455 -2.171) 5.076 38.034 ( 0.330 3.431 4.538) 5.699 38.850 ( -2.632 8.555 0.470) 8.963 39.782 ( 1.589 -3.463 0.148) 3.813 39.851 ( -0.586 0.891 -1.756) 2.054 40.527 ( -2.072 -13.368 1.857) 13.654 40.897 ( 0.131 2.320 2.010) 3.073 42.132 ( 1.417 -1.467 -6.830) 7.128 43.389 ( -0.284 17.459 2.453) 17.633 ======================= Grid point 150 (80/125) ======================= q-point: (-0.11 -0.33 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 12.532 -11.349 -46.315) 49.305 3.429 ( 8.715 -25.765 -34.317) 43.789 4.880 ( -2.940 4.590 -7.995) 9.677 4.970 ( -0.221 2.169 -11.198) 11.408 5.261 ( 2.065 -1.573 -16.503) 16.706 5.806 ( -2.040 5.172 -9.093) 10.658 6.074 ( -3.961 9.200 21.054) 23.315 6.592 ( 9.215 -2.485 -6.510) 11.553 6.843 ( -3.046 -11.381 -7.075) 13.742 6.980 ( -3.749 2.214 13.107) 13.811 7.606 ( -2.654 4.954 4.715) 7.336 7.856 ( 6.897 -6.046 -1.429) 9.283 8.044 ( 1.988 -4.491 1.887) 5.261 8.417 ( -4.662 6.106 3.860) 8.597 9.020 ( 0.665 5.174 -1.347) 5.388 9.196 ( 2.536 1.517 2.555) 3.907 9.410 ( -4.272 -1.576 14.187) 14.900 9.589 ( -6.282 4.513 4.648) 9.024 9.995 ( 2.262 5.896 9.880) 11.726 10.222 ( -1.271 -3.624 7.849) 8.738 10.453 ( -3.494 -1.601 0.148) 3.846 10.630 ( 1.671 6.739 6.395) 9.440 10.875 ( 2.822 -0.696 6.229) 6.874 11.103 ( -2.567 6.277 -4.414) 8.091 11.635 ( 1.998 -8.302 -13.013) 15.564 11.851 ( 4.792 -3.649 -9.105) 10.917 12.198 ( 3.141 6.842 0.080) 7.529 12.540 ( -14.994 -6.664 1.436) 16.471 12.731 ( 7.341 -2.085 5.104) 9.180 13.145 ( 0.302 -9.534 2.725) 9.920 13.360 ( -0.700 -5.018 3.283) 6.037 13.644 ( 0.612 1.249 10.150) 10.245 14.243 ( -3.103 -4.681 4.200) 7.013 14.727 ( -4.326 1.154 4.336) 6.233 15.387 ( -12.274 10.669 -2.032) 16.390 15.506 ( 1.084 7.530 -6.817) 10.215 15.926 ( 2.346 -3.135 3.259) 5.094 16.252 ( -0.231 1.987 -9.048) 9.266 16.562 ( 6.059 -0.147 2.026) 6.390 16.775 ( -2.283 0.210 -2.738) 3.571 17.005 ( 6.199 -4.541 13.079) 15.169 17.614 ( 0.997 0.446 2.233) 2.486 17.889 ( 4.242 1.943 4.933) 6.790 18.207 ( -4.212 8.708 -4.360) 10.611 18.408 ( -0.035 -2.440 -5.696) 6.197 18.885 ( 0.742 3.380 -1.980) 3.987 19.112 ( 4.726 1.912 0.184) 5.101 19.284 ( 5.588 -2.858 3.671) 7.271 20.053 ( -1.885 -4.245 1.368) 4.842 20.286 ( -1.270 2.099 -3.837) 4.554 20.596 ( 0.237 -1.573 -5.030) 5.276 21.130 ( -1.812 5.854 -11.358) 12.906 21.205 ( 0.308 -5.397 0.876) 5.476 21.570 ( -1.958 -1.349 0.630) 2.460 21.749 ( -1.055 -3.294 -0.422) 3.485 21.933 ( 3.168 -0.757 -0.785) 3.350 22.255 ( 0.812 0.700 10.411) 10.466 26.458 ( 3.953 0.954 -0.561) 4.105 26.736 ( 1.335 -1.732 -4.446) 4.955 27.154 ( -1.785 3.071 -0.108) 3.553 29.951 ( 1.429 1.213 0.915) 2.086 30.345 ( -1.818 -0.743 -2.580) 3.243 30.629 ( -2.122 0.557 4.834) 5.308 36.479 ( -3.651 1.275 -1.165) 4.039 36.853 ( -1.201 0.075 -2.135) 2.451 37.433 ( 8.628 -3.052 -2.165) 9.405 37.738 ( -3.308 2.511 0.095) 4.154 38.137 ( -0.724 1.566 4.783) 5.085 38.809 ( -6.808 12.699 -5.364) 15.374 39.723 ( 0.824 -0.361 -5.381) 5.456 39.858 ( 0.486 1.690 -0.088) 1.761 40.471 ( -1.828 -12.064 2.785) 12.515 40.932 ( -3.186 4.083 1.022) 5.279 42.038 ( 6.508 -7.191 -5.440) 11.121 43.435 ( -5.337 19.023 -6.562) 20.819 ======================= Grid point 153 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 29.022 -10.638 24.261) 39.294 2.181 ( 43.800 -1.198 22.342) 49.184 3.471 ( 41.700 -15.948 47.082) 64.884 4.698 ( -6.299 1.730 3.153) 7.253 4.969 ( 2.333 0.677 6.058) 6.527 5.599 ( 12.127 -5.117 7.146) 14.977 6.428 ( -8.588 2.851 -4.081) 9.926 6.604 ( -9.309 -1.960 -8.998) 13.094 6.728 ( -0.850 5.304 1.098) 5.483 7.391 ( -14.793 3.184 8.285) 17.252 7.667 ( -3.731 4.951 -13.512) 14.866 7.968 ( -1.882 -2.774 -6.832) 7.610 8.395 ( 0.980 1.963 -10.708) 10.930 8.765 ( -1.282 -3.217 -8.398) 9.084 8.904 ( -3.715 0.890 5.440) 6.647 9.158 ( -1.045 3.614 -5.776) 6.893 9.773 ( 3.058 -2.383 2.427) 4.574 9.849 ( -0.417 -1.387 -4.368) 4.602 10.030 ( -0.123 2.499 9.512) 9.836 10.142 ( 1.648 -4.279 8.032) 9.249 10.501 ( 4.803 0.076 -0.878) 4.883 10.592 ( 4.578 -6.226 5.751) 9.633 11.090 ( -11.441 14.817 -20.342) 27.645 11.382 ( -5.335 0.748 0.554) 5.416 11.461 ( -3.004 -3.033 -15.136) 15.727 11.815 ( -1.981 1.289 -0.902) 2.530 12.240 ( -5.210 5.064 -5.703) 9.237 12.613 ( -8.097 -9.024 11.246) 16.537 12.858 ( 2.564 8.665 -2.202) 9.301 13.203 ( 5.687 -5.322 -3.654) 8.603 13.484 ( -3.493 -2.385 6.101) 7.424 13.929 ( 4.557 -9.809 4.711) 11.797 14.200 ( 3.452 3.015 -11.910) 12.762 14.805 ( -2.063 1.981 10.444) 10.829 15.150 ( -7.744 5.907 6.959) 11.970 15.355 ( -3.542 -10.709 -13.661) 17.716 15.906 ( -3.017 3.961 8.620) 9.954 16.241 ( 2.769 0.639 -3.212) 4.288 16.432 ( 8.008 4.766 0.897) 9.362 16.921 ( 3.768 -7.140 8.783) 11.930 17.358 ( -1.019 -2.785 -7.461) 8.029 17.571 ( 7.047 6.963 -2.550) 10.230 17.780 ( -7.161 2.605 5.783) 9.566 18.024 ( 3.791 1.139 -5.415) 6.707 18.383 ( 4.073 -1.160 3.548) 5.525 18.876 ( -0.539 -0.699 -1.684) 1.901 19.112 ( -0.691 -0.106 -2.565) 2.658 19.365 ( 2.021 5.141 -3.898) 6.761 20.045 ( 0.892 1.989 3.738) 4.327 20.223 ( -2.883 -1.803 1.147) 3.588 20.548 ( -1.605 0.688 1.148) 2.090 20.764 ( 1.370 -4.656 7.240) 8.716 21.310 ( 2.779 -3.396 -5.658) 7.160 21.514 ( -3.136 0.415 5.033) 5.945 21.795 ( 0.452 1.655 -3.000) 3.456 21.946 ( 4.093 -2.319 -0.947) 4.799 22.719 ( -3.586 2.080 -18.035) 18.505 26.525 ( 0.341 1.429 -4.291) 4.535 26.693 ( 6.146 1.400 -4.155) 7.549 26.946 ( 0.074 -1.833 9.464) 9.640 29.896 ( -0.604 0.546 13.165) 13.190 30.317 ( -2.878 1.469 -10.181) 10.681 30.679 ( -2.316 -0.497 4.611) 5.184 36.454 ( -4.008 0.793 0.424) 4.107 36.763 ( -1.156 -0.855 5.923) 6.095 37.217 ( -0.557 -1.561 12.492) 12.602 37.603 ( 0.335 0.575 6.726) 6.759 38.137 ( -0.165 -1.424 0.954) 1.722 38.757 ( -4.320 4.009 -6.129) 8.503 39.511 ( 1.449 1.373 1.905) 2.759 39.821 ( -3.906 -2.138 5.262) 6.893 40.593 ( 0.430 0.810 -0.309) 0.968 40.909 ( -1.495 0.613 2.573) 3.038 41.989 ( 12.965 1.273 -7.451) 15.007 42.870 ( -14.693 0.346 20.654) 25.349 ======================= Grid point 154 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 22.619 2.780 38.816) 45.011 3.108 ( 34.222 1.511 36.430) 50.006 4.411 ( 10.932 -1.387 34.856) 36.557 4.749 ( -5.148 0.320 9.765) 11.044 5.153 ( 8.089 1.820 5.706) 10.065 5.742 ( 2.966 -2.150 0.590) 3.710 6.221 ( -16.164 1.110 -9.027) 18.547 6.508 ( 6.185 -0.103 5.264) 8.123 6.803 ( 2.548 -3.365 4.673) 6.297 7.259 ( -3.003 -2.963 -13.557) 14.198 7.481 ( -13.340 2.711 2.485) 13.838 7.871 ( 3.509 1.537 -2.088) 4.363 8.253 ( 3.366 3.079 -11.552) 12.420 8.559 ( 0.036 -3.385 -11.280) 11.777 8.906 ( -6.716 0.630 2.230) 7.105 9.166 ( -0.331 2.716 2.024) 3.403 9.607 ( -4.641 -4.587 -9.343) 11.396 9.765 ( 1.812 -3.161 -13.485) 13.968 10.087 ( -0.044 6.504 -0.392) 6.516 10.237 ( -7.860 -0.421 3.677) 8.687 10.443 ( -1.306 -5.847 -4.467) 7.473 10.697 ( -5.618 5.198 -8.823) 11.680 10.897 ( 2.582 7.167 9.570) 12.231 11.135 ( 2.331 -3.394 -16.113) 16.631 11.483 ( 3.206 -2.240 10.332) 11.048 11.836 ( 4.248 2.227 1.502) 5.026 12.136 ( -4.237 6.046 -3.669) 8.244 12.567 ( -8.481 -16.800 4.928) 19.454 12.877 ( 3.848 5.455 -7.528) 10.062 13.241 ( 6.567 -0.554 3.175) 7.315 13.460 ( 1.730 -6.093 -2.304) 6.740 13.850 ( 6.226 -10.393 -8.321) 14.698 14.250 ( -0.535 7.044 2.926) 7.647 14.891 ( -5.735 -4.462 -10.395) 12.683 15.013 ( -9.704 1.531 9.963) 13.992 15.299 ( -10.325 -8.899 12.342) 18.388 15.966 ( -2.084 -0.227 1.170) 2.401 16.231 ( 6.222 4.043 -3.668) 8.277 16.554 ( 4.748 10.801 -0.229) 11.800 16.886 ( 2.172 -3.903 -9.419) 10.425 17.226 ( 1.444 -1.187 -6.586) 6.846 17.620 ( -0.697 4.348 0.046) 4.404 17.928 ( -3.908 2.512 5.717) 7.367 18.001 ( 2.393 7.509 1.178) 7.969 18.410 ( 3.086 -1.395 -1.432) 3.676 18.839 ( -1.208 1.434 -0.532) 1.949 19.099 ( 0.265 3.527 -0.669) 3.600 19.372 ( 3.991 6.675 -3.504) 8.530 20.102 ( 0.517 -0.884 1.306) 1.659 20.225 ( -1.455 -4.226 2.950) 5.355 20.554 ( 2.264 -1.079 1.504) 2.925 20.889 ( -3.131 -2.694 9.804) 10.639 21.268 ( 2.857 -1.811 -0.753) 3.466 21.542 ( -3.543 -3.419 2.751) 5.640 21.791 ( 3.008 1.178 0.060) 3.231 21.959 ( 4.735 0.130 -1.594) 4.998 22.430 ( -3.676 1.802 -13.178) 13.800 26.478 ( 1.511 4.487 -3.434) 5.849 26.722 ( 5.031 0.365 0.174) 5.047 27.067 ( -2.805 0.161 5.755) 6.404 29.974 ( -2.695 3.047 -3.310) 5.245 30.272 ( 1.417 -2.537 6.545) 7.161 30.672 ( -3.188 -1.588 -1.483) 3.858 36.439 ( -2.260 -1.357 1.699) 3.136 36.801 ( -3.406 -4.741 3.305) 6.708 37.391 ( 2.955 4.606 6.577) 8.556 37.695 ( -0.737 -0.158 3.270) 3.356 38.148 ( -2.791 -1.076 1.506) 3.349 38.636 ( -6.914 4.693 -2.987) 8.874 39.604 ( 0.418 2.968 5.862) 6.583 39.844 ( -1.326 -3.932 2.597) 4.895 40.595 ( 3.171 -4.055 -0.239) 5.153 40.906 ( -3.385 -3.028 0.542) 4.574 42.092 ( 13.912 4.850 0.140) 14.734 43.014 ( -19.042 3.926 14.740) 24.398 ======================= Grid point 155 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 15.611 2.608 40.298) 43.295 3.986 ( 29.263 -1.459 28.069) 40.574 4.768 ( -4.906 0.315 9.619) 10.802 4.949 ( -0.024 -1.233 2.533) 2.817 5.289 ( -1.898 5.826 13.846) 15.141 5.690 ( -5.907 -4.973 -12.429) 14.632 5.943 ( -0.751 2.927 -0.392) 3.047 6.649 ( -3.768 0.018 3.281) 4.997 6.813 ( -4.155 -12.205 -4.040) 13.511 7.037 ( 0.456 6.969 -5.009) 8.594 7.503 ( -2.824 3.265 4.397) 6.162 7.985 ( 2.269 2.175 1.641) 3.545 8.112 ( 5.987 1.404 -6.959) 9.286 8.407 ( 5.606 -1.132 -2.583) 6.276 8.879 ( -8.193 3.306 0.701) 8.863 9.159 ( -2.941 2.398 -5.029) 6.300 9.367 ( -8.748 3.605 -11.946) 15.239 9.490 ( 1.300 -6.627 -9.771) 11.878 9.991 ( 2.916 0.696 -7.430) 8.012 10.216 ( -4.680 -3.230 -0.546) 5.713 10.428 ( -3.537 1.676 3.166) 5.035 10.559 ( 1.382 -1.208 -3.722) 4.150 10.912 ( -1.712 -4.946 -3.045) 6.056 11.065 ( 5.639 9.553 -2.151) 11.300 11.740 ( 1.818 -1.289 7.895) 8.204 11.967 ( 4.598 1.316 7.941) 9.270 12.124 ( -1.659 2.896 5.628) 6.543 12.500 ( -1.177 -14.102 3.392) 14.552 12.833 ( 4.497 1.473 -1.899) 5.099 13.307 ( 6.630 -3.237 -5.885) 9.438 13.391 ( -1.296 -4.076 -4.681) 6.341 13.677 ( 5.156 -2.337 -11.280) 12.621 14.262 ( -0.728 -4.079 -1.291) 4.340 14.630 ( -6.326 -10.295 -4.429) 12.869 15.112 ( -11.463 2.391 10.370) 15.641 15.376 ( -7.185 -5.198 10.226) 13.536 15.959 ( 0.156 1.090 0.550) 1.231 16.270 ( 3.389 5.205 -2.834) 6.827 16.577 ( -1.318 5.922 -3.987) 7.260 16.781 ( 1.682 0.541 -1.071) 2.066 17.150 ( 7.015 3.623 -7.571) 10.939 17.558 ( -6.751 2.798 -5.924) 9.408 17.871 ( -0.480 2.567 -5.319) 5.926 18.128 ( -0.000 8.181 1.630) 8.342 18.457 ( 2.492 -0.474 4.256) 4.955 18.852 ( -0.559 3.267 0.986) 3.458 19.100 ( -1.914 6.606 -2.366) 7.274 19.386 ( 5.230 4.060 -3.601) 7.536 20.089 ( 0.750 -3.277 -1.272) 3.594 20.254 ( 0.035 -2.696 3.376) 4.320 20.642 ( 2.016 0.016 4.932) 5.328 21.021 ( -4.359 -1.019 11.844) 12.662 21.275 ( 2.378 -4.208 0.047) 4.834 21.516 ( -3.782 -1.239 0.420) 4.002 21.855 ( 5.363 -1.595 1.873) 5.900 21.983 ( 3.688 1.895 -1.643) 4.460 22.201 ( -4.773 -0.081 -9.329) 10.479 26.488 ( 1.748 6.520 -1.363) 6.886 26.795 ( 3.889 0.617 2.939) 4.914 27.072 ( -4.797 0.135 -0.794) 4.864 29.943 ( -0.465 3.073 1.787) 3.585 30.363 ( 1.974 -3.172 -0.213) 3.742 30.585 ( -2.944 -2.843 -1.175) 4.258 36.450 ( -0.084 -3.003 2.321) 3.796 36.793 ( -4.767 -2.968 3.639) 6.691 37.529 ( 1.517 5.084 2.611) 5.913 37.728 ( 4.050 2.028 -0.909) 4.620 38.079 ( -4.496 2.244 -5.257) 7.272 38.622 ( -5.068 0.311 6.620) 8.343 39.718 ( -0.954 0.354 5.477) 5.570 39.854 ( 0.764 -1.421 1.332) 2.092 40.601 ( 3.836 -6.812 0.259) 7.822 40.851 ( -3.025 -4.544 -0.006) 5.459 42.234 ( 9.793 2.919 -1.500) 10.328 43.098 ( -14.750 9.578 11.254) 20.880 ======================= Grid point 156 (84/125) ======================= q-point: ( 0.56 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( 5.498 -6.885 24.904) 26.416 4.403 ( 11.913 -6.489 -15.643) 20.706 4.777 ( 0.460 -3.321 0.129) 3.355 4.897 ( -0.676 2.971 4.371) 5.328 5.326 ( -2.936 1.822 -3.297) 4.776 5.659 ( 6.922 -3.872 14.315) 16.366 6.123 ( 2.170 0.865 6.106) 6.537 6.446 ( -16.426 -3.114 -2.878) 16.964 6.698 ( -0.104 -1.406 -4.135) 4.368 7.069 ( -5.365 7.756 4.849) 10.604 7.540 ( -4.312 2.126 -4.758) 6.764 7.819 ( 8.945 6.875 -13.569) 17.646 8.128 ( 2.168 -0.987 1.697) 2.924 8.609 ( 6.166 1.542 -0.543) 6.380 8.807 ( -6.697 12.246 4.090) 14.544 9.010 ( -1.135 1.898 -7.440) 7.761 9.189 ( -6.388 3.389 -1.051) 7.307 9.445 ( -0.073 -0.620 3.863) 3.913 9.957 ( 6.263 -3.464 -0.769) 7.198 10.097 ( -1.205 -4.924 -6.708) 8.407 10.403 ( -4.716 -2.091 -1.574) 5.394 10.577 ( 4.818 -1.813 2.730) 5.827 10.866 ( -5.664 -5.141 3.368) 8.358 11.210 ( 8.613 7.739 4.432) 12.398 11.684 ( -3.821 1.643 -7.483) 8.561 12.056 ( 1.871 3.071 -2.451) 4.352 12.363 ( -1.755 -8.421 13.436) 15.953 12.531 ( 4.751 -1.207 7.539) 8.992 12.866 ( 4.129 -2.612 -3.916) 6.262 13.058 ( -5.138 -6.922 -12.416) 15.115 13.290 ( 1.870 -7.325 -2.760) 8.048 13.609 ( 3.851 1.774 -3.451) 5.467 14.179 ( 4.574 -14.225 -1.942) 15.068 14.587 ( -1.141 -3.246 7.231) 8.008 15.186 ( -7.635 -2.329 9.756) 12.605 15.423 ( -3.240 0.279 3.281) 4.620 16.030 ( 1.578 6.015 3.473) 7.123 16.206 ( -4.694 3.761 -4.762) 7.672 16.540 ( -2.254 0.007 -0.770) 2.382 16.840 ( 0.143 1.713 3.887) 4.250 17.118 ( 10.153 9.150 -12.396) 18.452 17.381 ( -8.231 4.826 -4.130) 10.397 17.810 ( -0.725 0.495 -2.348) 2.506 18.176 ( 0.714 8.919 -0.833) 8.986 18.542 ( 2.102 -0.322 2.242) 3.090 18.883 ( -0.225 3.769 0.455) 3.803 19.054 ( -3.721 6.133 -3.291) 7.893 19.384 ( 3.067 0.039 -3.355) 4.546 20.057 ( -0.015 -2.824 -0.661) 2.901 20.312 ( 2.844 -1.120 3.379) 4.556 20.679 ( -1.024 0.031 -2.200) 2.427 21.194 ( -0.988 -1.681 10.038) 10.225 21.291 ( 1.288 -5.214 3.930) 6.655 21.481 ( -3.544 2.653 -0.669) 4.477 21.903 ( 3.868 -3.569 -1.476) 5.466 21.933 ( 0.764 1.896 -7.853) 8.114 22.088 ( -2.363 -1.510 2.473) 3.738 26.513 ( 0.442 6.453 -2.112) 6.805 26.878 ( 1.651 0.321 -0.161) 1.689 26.999 ( -2.829 0.965 0.760) 3.084 30.059 ( 0.918 1.835 7.668) 7.938 30.238 ( -0.739 -0.913 -9.126) 9.201 30.583 ( 0.128 -4.261 2.548) 4.966 36.487 ( 2.188 -2.577 2.615) 4.274 36.798 ( -4.214 -0.448 2.726) 5.038 37.552 ( -2.605 -0.757 -0.207) 2.721 37.753 ( 4.880 6.482 -5.217) 9.646 37.983 ( -2.846 3.233 -1.160) 4.461 38.734 ( -0.369 1.669 7.740) 7.927 39.752 ( 0.215 -4.017 0.720) 4.086 39.896 ( -1.254 2.110 2.635) 3.601 40.591 ( 2.448 -10.107 0.371) 10.406 40.822 ( 0.096 -1.950 0.815) 2.116 42.235 ( 3.107 0.786 -6.541) 7.284 43.239 ( -6.379 13.999 9.123) 17.885 ======================= Grid point 157 (85/125) ======================= q-point: (-0.33 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( 2.017 -12.331 -42.866) 44.650 4.068 ( -5.656 -21.529 -22.060) 31.339 4.824 ( 1.005 -0.185 11.711) 11.755 5.092 ( 2.293 7.097 -2.461) 7.854 5.445 ( 2.488 2.277 7.910) 8.599 5.879 ( -0.395 0.579 -0.671) 0.971 6.047 ( 2.625 2.327 0.197) 3.513 6.325 ( -6.808 -1.215 -1.892) 7.170 6.735 ( -0.732 4.401 5.525) 7.101 7.148 ( -3.266 4.886 0.567) 5.904 7.352 ( 1.863 -6.159 3.513) 7.331 7.888 ( 2.633 4.427 -0.806) 5.214 8.138 ( 3.612 -8.206 -7.215) 11.509 8.477 ( -0.607 10.297 -6.638) 12.266 8.900 ( 4.787 3.641 -3.270) 6.846 9.053 ( -2.610 5.324 7.383) 9.469 9.270 ( -9.377 11.152 17.184) 22.530 9.550 ( -1.236 0.037 8.245) 8.338 9.885 ( 3.750 -1.669 -9.787) 10.613 10.119 ( 10.186 0.127 1.280) 10.267 10.330 ( -2.034 -3.710 4.615) 6.261 10.626 ( -1.879 -1.310 0.775) 2.418 10.861 ( -6.800 -6.042 6.435) 11.142 11.304 ( 1.350 4.015 -5.609) 7.028 11.620 ( 0.118 2.068 4.089) 4.583 11.979 ( 3.194 0.609 -8.814) 9.395 12.301 ( -0.837 -8.998 -13.195) 15.993 12.641 ( -1.188 -1.740 -11.716) 11.904 12.740 ( 2.886 -8.714 7.868) 12.090 13.003 ( -1.438 0.776 9.579) 9.718 13.296 ( -0.376 -9.918 7.262) 12.299 13.627 ( -2.936 0.882 3.930) 4.984 14.175 ( 8.041 -9.512 1.204) 12.513 14.713 ( 0.679 -1.746 6.664) 6.922 15.299 ( 1.238 -1.512 8.695) 8.912 15.484 ( -2.188 4.292 7.251) 8.706 15.984 ( -4.142 7.435 -11.581) 14.372 16.248 ( 0.059 3.479 7.799) 8.540 16.496 ( -0.521 -3.754 -1.087) 3.942 16.843 ( -1.385 -0.023 -3.118) 3.412 17.000 ( 1.041 5.646 -10.055) 11.579 17.427 ( 2.802 7.045 6.488) 9.979 17.769 ( -1.885 1.871 -1.726) 3.168 18.228 ( 0.139 9.118 0.541) 9.135 18.550 ( 1.263 0.226 -3.692) 3.908 18.900 ( 0.363 3.253 -0.844) 3.380 19.015 ( -2.851 4.559 -0.440) 5.395 19.314 ( -1.859 -2.995 -4.254) 5.525 20.049 ( 0.376 -3.639 1.721) 4.043 20.397 ( 1.204 2.413 2.075) 3.402 20.586 ( 1.212 -2.456 -5.621) 6.253 21.236 ( 1.373 0.593 -3.520) 3.825 21.329 ( -5.211 -3.992 0.060) 6.564 21.487 ( 2.267 -0.370 3.427) 4.126 21.819 ( -0.209 -1.576 -2.204) 2.718 21.900 ( 2.335 -0.341 -2.883) 3.726 22.143 ( -2.336 -1.882 6.850) 7.478 26.480 ( -1.488 3.997 -4.136) 5.941 26.801 ( -0.216 -0.843 -5.337) 5.407 27.097 ( 0.611 3.362 5.939) 6.852 30.003 ( -0.657 -0.967 -7.886) 7.972 30.300 ( 0.536 2.256 8.922) 9.218 30.591 ( 0.860 -3.432 0.980) 3.671 36.541 ( 2.029 -0.475 1.505) 2.570 36.794 ( -0.905 0.007 0.365) 0.976 37.478 ( -4.403 -3.280 -2.571) 6.063 37.740 ( 2.134 5.517 -2.805) 6.547 38.026 ( 0.382 3.257 4.118) 5.264 38.862 ( 1.470 8.240 2.412) 8.711 39.725 ( 2.226 -2.589 -2.941) 4.507 39.920 ( -4.420 0.077 2.729) 5.196 40.544 ( 1.223 -14.236 0.120) 14.289 40.860 ( 2.582 3.056 1.514) 4.277 42.110 ( 0.538 -0.458 -9.307) 9.334 43.412 ( -1.723 16.656 4.729) 17.400 ======================= Grid point 158 (86/125) ======================= q-point: (-0.22 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 2.442 -13.521 -48.269) 50.186 3.357 ( -1.071 -25.087 -39.150) 46.511 4.911 ( -0.197 4.372 -13.831) 14.507 4.989 ( -1.355 0.362 -6.161) 6.319 5.267 ( -2.553 -0.728 -23.361) 23.512 5.825 ( -1.153 6.035 -10.233) 11.936 6.189 ( -4.212 3.071 18.360) 19.085 6.378 ( 8.458 3.207 2.828) 9.477 6.799 ( 3.279 -8.527 -1.013) 9.192 7.127 ( -5.021 0.162 3.613) 6.188 7.579 ( 4.116 2.455 13.920) 14.722 7.792 ( -0.434 -3.965 -6.658) 7.761 8.011 ( 1.084 -4.295 3.017) 5.360 8.529 ( -5.655 8.461 4.662) 11.194 8.956 ( 6.544 1.251 0.371) 6.673 9.141 ( 1.638 1.372 2.374) 3.193 9.495 ( -3.723 2.905 7.176) 8.590 9.694 ( -3.860 -0.780 8.028) 8.942 9.917 ( 4.363 9.651 8.445) 13.546 10.215 ( 1.148 0.169 9.647) 9.717 10.491 ( 6.695 0.890 4.970) 8.385 10.578 ( -4.136 3.583 -1.360) 5.639 10.891 ( -4.471 -2.380 7.626) 9.154 11.215 ( -6.528 5.762 -4.637) 9.865 11.639 ( -1.154 -12.263 -8.385) 14.900 11.825 ( -2.140 -1.520 -7.726) 8.160 12.059 ( 10.499 1.639 -1.998) 10.812 12.582 ( 5.401 3.532 -0.401) 6.466 12.781 ( -6.337 -9.202 5.249) 12.344 13.128 ( -1.655 -4.383 5.761) 7.426 13.379 ( 0.993 -8.494 5.230) 10.024 13.687 ( -5.239 -3.527 9.121) 11.095 14.219 ( 4.732 -1.985 -0.564) 5.162 14.780 ( -0.608 -1.465 3.515) 3.857 15.447 ( 2.472 9.235 -2.264) 9.825 15.630 ( -8.897 7.981 6.191) 13.460 15.842 ( 4.266 -0.889 2.312) 4.933 16.255 ( 2.108 1.195 -12.270) 12.507 16.466 ( 1.192 -0.315 -1.821) 2.199 16.807 ( 0.405 0.971 -0.648) 1.236 16.972 ( -3.168 -4.367 11.866) 13.035 17.582 ( 2.211 2.137 1.042) 3.247 17.782 ( 4.349 3.859 2.541) 6.345 18.286 ( -1.647 8.658 0.363) 8.821 18.433 ( -1.557 1.630 -10.276) 10.520 18.894 ( -1.294 3.003 -1.598) 3.640 19.039 ( 1.525 1.927 1.606) 2.935 19.220 ( 0.211 -3.530 -1.456) 3.824 20.067 ( 0.535 -4.271 1.900) 4.705 20.345 ( -4.934 -1.325 -4.782) 6.997 20.566 ( 3.559 0.854 -1.302) 3.884 21.138 ( -0.056 4.274 -8.916) 9.888 21.221 ( -1.470 -5.000 -3.447) 6.248 21.570 ( 2.221 -5.229 4.080) 6.995 21.800 ( -2.526 1.771 -0.250) 3.095 21.865 ( 2.444 -1.078 -2.275) 3.509 22.257 ( -1.451 -2.203 9.903) 10.248 26.424 ( -0.558 1.607 -1.855) 2.517 26.716 ( 0.645 -1.004 -4.454) 4.612 27.175 ( -0.223 2.912 -0.288) 2.935 29.937 ( 0.026 1.458 1.177) 1.874 30.366 ( -0.185 -0.464 -2.752) 2.796 30.646 ( 0.365 0.204 5.650) 5.665 36.543 ( -2.032 1.810 -1.616) 3.165 36.815 ( 3.992 -0.928 0.178) 4.103 37.371 ( -2.405 -3.764 -2.973) 5.366 37.766 ( 0.547 4.165 0.666) 4.253 38.135 ( 0.906 1.986 5.226) 5.664 38.912 ( -2.227 15.995 -4.378) 16.732 39.666 ( 3.116 0.085 -6.055) 6.811 39.915 ( -5.144 -0.899 2.589) 5.829 40.481 ( 1.150 -14.527 1.580) 14.658 40.938 ( 2.502 5.533 1.110) 6.173 41.945 ( 2.309 -4.744 -9.423) 10.800 43.523 ( -2.636 20.601 -2.477) 20.916 ======================= Grid point 159 (87/125) ======================= q-point: (-0.11 -0.22 0.11) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 11.755 -14.754 -46.582) 50.257 2.509 ( 8.963 -26.083 -45.346) 53.074 4.124 ( 5.134 -15.969 -67.615) 69.664 4.857 ( -1.713 4.997 -6.700) 8.532 5.066 ( 0.779 -0.310 -6.753) 6.805 5.604 ( 1.980 -11.366 -10.345) 15.496 6.448 ( -0.337 3.612 0.874) 3.732 6.521 ( -4.989 9.882 14.555) 18.287 6.739 ( 2.952 -2.669 0.643) 4.031 7.321 ( -1.272 3.565 17.536) 17.940 7.662 ( -4.573 -0.717 -1.655) 4.916 7.858 ( 2.188 6.209 9.141) 11.265 8.192 ( 2.157 -2.037 13.816) 14.131 8.605 ( -5.763 4.117 7.994) 10.681 8.992 ( 1.953 1.402 -2.481) 3.455 9.172 ( 2.265 1.201 -1.141) 2.806 9.575 ( 0.022 -6.298 6.247) 8.871 9.800 ( -7.248 0.688 10.901) 13.109 10.057 ( 5.456 0.115 -0.782) 5.513 10.386 ( -1.189 -6.013 4.751) 7.755 10.430 ( -0.987 10.211 -13.263) 16.767 10.782 ( -1.725 -0.551 -6.464) 6.713 10.872 ( 5.406 7.258 10.153) 13.601 11.181 ( -1.408 -0.283 12.727) 12.808 11.441 ( -3.334 0.300 0.914) 3.470 11.811 ( -2.706 2.820 3.331) 5.135 12.241 ( 6.321 8.791 5.224) 12.022 12.698 ( -12.851 -3.654 1.223) 13.416 12.753 ( 9.062 -2.515 8.524) 12.692 13.099 ( -0.848 -8.763 -3.004) 9.302 13.381 ( -3.671 -9.746 5.488) 11.772 13.774 ( -1.756 -3.883 4.689) 6.336 14.235 ( 5.790 1.544 -1.676) 6.222 14.868 ( 0.272 -3.978 9.440) 10.248 15.246 ( -3.086 10.308 -20.533) 23.182 15.581 ( -14.394 10.631 -9.756) 20.381 15.950 ( 1.165 -5.612 1.802) 6.008 16.176 ( 2.552 3.994 4.255) 6.369 16.471 ( 9.909 2.300 -3.347) 10.709 16.857 ( -3.515 -2.830 8.147) 9.313 17.191 ( -0.427 -2.694 12.862) 13.148 17.564 ( 6.307 -2.668 -3.346) 7.622 17.921 ( 5.170 0.620 3.696) 6.385 18.103 ( -8.272 6.729 -18.475) 21.331 18.374 ( 0.930 1.227 0.719) 1.700 18.878 ( -0.287 2.726 -0.435) 2.775 19.080 ( 1.671 -0.739 0.708) 1.960 19.281 ( 7.790 -2.105 5.025) 9.506 20.071 ( -0.190 -3.282 0.495) 3.325 20.221 ( -1.447 -4.325 -1.751) 4.885 20.539 ( -1.313 1.708 -2.921) 3.630 20.963 ( -2.078 3.097 -13.656) 14.156 21.182 ( 1.547 -6.126 2.555) 6.815 21.600 ( -2.574 -0.018 0.675) 2.661 21.761 ( -2.055 0.779 0.301) 2.218 21.889 ( 3.542 -0.929 0.617) 3.714 22.434 ( 1.981 -3.500 13.200) 13.799 26.451 ( 2.505 0.185 3.403) 4.230 26.651 ( 1.082 -1.963 -2.852) 3.627 27.106 ( -0.703 1.158 -7.969) 8.083 30.041 ( 0.176 4.656 5.851) 7.479 30.262 ( -1.481 -0.145 -5.580) 5.775 30.723 ( -1.257 1.528 2.002) 2.815 36.502 ( -2.798 3.060 -1.039) 4.274 36.820 ( 0.235 -1.562 -2.259) 2.756 37.306 ( 3.377 -3.400 -3.040) 5.675 37.789 ( -3.445 5.896 -1.579) 7.009 38.189 ( -1.278 1.278 -1.497) 2.347 38.872 ( -5.747 18.020 -5.002) 19.565 39.590 ( 3.138 0.903 -6.441) 7.221 39.895 ( -4.335 1.767 -0.157) 4.684 40.485 ( 0.964 -9.712 5.805) 11.356 40.979 ( -0.755 4.872 -1.567) 5.173 41.813 ( 7.785 -12.049 -4.526) 15.042 43.460 ( -9.280 25.512 -15.066) 31.048 ======================= Grid point 189 (88/125) ======================= q-point: ( 0.22 0.22 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 0.000 0.000 -4.765) 4.765 4.591 ( -0.000 -0.000 8.658) 8.658 4.804 ( 0.000 0.000 -18.600) 18.600 4.874 ( -0.000 -0.000 17.747) 17.747 5.191 ( 0.000 0.000 -16.728) 16.728 5.731 ( -0.000 -0.000 11.096) 11.096 5.753 ( 0.000 0.000 -17.192) 17.192 5.956 ( 0.000 0.000 -0.114) 0.114 6.917 ( -0.000 -0.000 6.842) 6.842 6.971 ( 0.000 0.000 -11.781) 11.781 7.664 ( -0.000 -0.000 3.851) 3.851 8.231 ( 0.000 0.000 -14.959) 14.959 8.378 ( -0.000 -0.000 17.432) 17.432 8.684 ( 0.000 0.000 -3.570) 3.570 8.811 ( 0.000 0.000 -13.215) 13.215 8.907 ( 0.000 0.000 -2.473) 2.473 9.226 ( 0.000 0.000 -5.386) 5.386 9.554 ( 0.000 0.000 -2.720) 2.720 9.707 ( -0.000 -0.000 15.980) 15.980 10.073 ( -0.000 -0.000 5.814) 5.814 10.165 ( -0.000 -0.000 2.923) 2.923 10.731 ( -0.000 -0.000 11.141) 11.141 10.961 ( -0.000 -0.000 4.362) 4.362 11.407 ( 0.000 0.000 -8.103) 8.103 11.809 ( 0.000 0.000 -6.469) 6.469 12.072 ( -0.000 -0.000 14.662) 14.662 12.413 ( 0.000 0.000 -7.353) 7.353 12.582 ( 0.000 0.000 -3.347) 3.347 12.837 ( 0.000 0.000 -19.321) 19.321 12.873 ( -0.000 -0.000 14.869) 14.869 12.962 ( -0.000 -0.000 4.133) 4.133 13.775 ( -0.000 -0.000 11.255) 11.255 13.857 ( -0.000 -0.000 12.042) 12.042 14.149 ( 0.000 0.000 -12.567) 12.567 14.673 ( 0.000 0.000 -12.113) 12.113 15.419 ( -0.000 -0.000 2.955) 2.955 15.852 ( 0.000 0.000 -10.195) 10.195 16.605 ( -0.000 -0.000 11.649) 11.649 16.806 ( 0.000 0.000 -7.627) 7.627 16.888 ( -0.000 -0.000 21.026) 21.026 17.391 ( 0.000 0.000 -6.713) 6.713 17.466 ( 0.000 0.000 -0.619) 0.619 17.993 ( -0.000 -0.000 14.586) 14.586 18.456 ( 0.000 0.000 -0.110) 0.110 18.543 ( 0.000 0.000 -6.612) 6.612 19.122 ( 0.000 0.000 -1.917) 1.917 19.135 ( -0.000 -0.000 5.052) 5.052 19.520 ( -0.000 -0.000 10.134) 10.134 20.003 ( -0.000 -0.000 0.425) 0.425 20.408 ( 0.000 0.000 -8.616) 8.616 20.655 ( 0.000 0.000 -14.011) 14.011 20.680 ( 0.000 0.000 -4.812) 4.812 21.124 ( -0.000 -0.000 0.162) 0.162 21.721 ( 0.000 0.000 -0.589) 0.589 21.823 ( -0.000 -0.000 6.944) 6.944 21.976 ( -0.000 -0.000 4.202) 4.202 22.098 ( -0.000 -0.000 4.204) 4.204 26.870 ( 0.000 0.000 -7.709) 7.709 26.899 ( -0.000 -0.000 0.182) 0.182 26.904 ( -0.000 -0.000 9.445) 9.445 30.144 ( 0.000 0.000 -2.700) 2.700 30.275 ( -0.000 -0.000 7.780) 7.780 30.313 ( 0.000 0.000 -7.955) 7.955 36.394 ( 0.000 0.000 -7.667) 7.667 36.580 ( 0.000 0.000 -5.910) 5.910 37.402 ( 0.000 0.000 -1.430) 1.430 37.994 ( 0.000 0.000 -1.073) 1.073 38.328 ( -0.000 -0.000 18.434) 18.434 38.582 ( 0.000 0.000 -19.525) 19.525 39.632 ( -0.000 -0.000 2.741) 2.741 39.799 ( 0.000 0.000 -6.501) 6.501 40.222 ( 0.000 0.000 -0.374) 0.374 40.863 ( 0.000 0.000 -4.645) 4.645 42.453 ( -0.000 -0.000 7.127) 7.127 43.246 ( 0.000 0.000 -18.112) 18.112 ======================= Grid point 190 (89/125) ======================= q-point: (-0.67 0.22 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -12.391 -6.775 -6.865) 15.703 4.412 ( -21.519 -10.786 -13.290) 27.496 4.596 ( 1.939 -0.629 -4.796) 5.212 4.912 ( -1.581 -7.219 -11.954) 14.054 5.209 ( 13.556 16.181 -15.579) 26.235 5.523 ( 2.619 0.764 6.466) 7.018 5.918 ( 1.403 -4.211 12.017) 12.810 6.071 ( 4.414 5.233 8.165) 10.655 6.715 ( -4.613 -1.752 -12.151) 13.115 7.158 ( -0.792 1.499 10.062) 10.204 7.246 ( 4.878 0.856 -40.956) 41.254 8.074 ( -1.526 -1.719 1.392) 2.688 8.479 ( -8.314 -2.569 -0.866) 8.745 8.728 ( 7.897 1.257 6.005) 10.000 8.762 ( 0.281 1.805 1.657) 2.466 9.016 ( -4.145 -0.865 14.320) 14.933 9.191 ( 1.382 0.333 2.568) 2.936 9.627 ( 10.360 5.670 4.499) 12.638 9.943 ( -4.489 -3.825 12.336) 13.673 10.177 ( 2.497 2.207 2.675) 4.273 10.304 ( 1.655 0.510 8.809) 8.978 10.762 ( -9.285 -1.919 -8.969) 13.051 10.923 ( 5.142 -0.910 3.464) 6.266 11.340 ( 5.634 4.042 -5.978) 9.155 11.856 ( -4.755 -2.964 11.731) 13.001 12.138 ( -10.717 -5.922 -3.163) 12.646 12.232 ( -2.362 -2.054 -10.299) 10.765 12.492 ( 8.960 1.997 -9.525) 13.228 12.569 ( -3.676 1.314 -5.322) 6.600 12.958 ( -1.672 0.605 1.283) 2.193 13.175 ( 9.497 4.272 6.776) 12.424 13.754 ( 3.551 2.271 -12.286) 12.989 14.005 ( -2.191 -0.773 15.894) 16.063 14.421 ( 5.738 2.057 25.106) 25.835 14.550 ( 5.002 3.070 -6.165) 8.512 15.425 ( -4.348 -3.152 -0.459) 5.390 15.704 ( 1.814 1.833 -7.335) 7.775 16.663 ( 0.066 -0.185 -8.023) 8.025 16.794 ( -1.375 -0.544 10.241) 10.347 17.148 ( -5.625 -2.233 4.132) 7.328 17.274 ( 0.191 -1.502 -2.830) 3.210 17.560 ( 0.674 1.205 16.955) 17.011 18.193 ( -2.165 -0.808 8.345) 8.659 18.402 ( -2.935 -1.708 -7.028) 7.805 18.432 ( -0.796 -0.534 -4.014) 4.127 19.039 ( -1.499 -1.736 -4.672) 5.205 19.196 ( -0.090 0.997 -0.040) 1.002 19.651 ( 0.871 0.216 3.423) 3.539 19.974 ( 1.641 0.764 -4.599) 4.943 20.200 ( -3.169 -2.816 -9.484) 10.389 20.506 ( -1.473 3.585 -6.785) 7.814 20.566 ( 6.102 -0.040 -7.453) 9.633 21.182 ( 0.671 0.222 4.870) 4.921 21.696 ( -4.246 -1.996 1.180) 4.838 21.908 ( 0.089 -0.375 2.723) 2.750 22.058 ( -4.693 -1.919 4.161) 6.559 22.216 ( 7.257 3.446 7.495) 10.987 26.757 ( -2.038 -1.260 -3.670) 4.383 26.870 ( -0.909 -0.193 -2.423) 2.595 27.031 ( 0.380 -0.004 4.271) 4.288 30.145 ( -0.189 -1.412 -4.929) 5.131 30.166 ( -2.270 0.199 0.767) 2.405 30.385 ( 3.869 2.070 1.701) 4.706 36.304 ( 0.931 0.545 -2.555) 2.774 36.482 ( 1.549 0.917 -6.600) 6.842 37.332 ( 0.836 0.528 -7.257) 7.324 37.975 ( -0.753 -0.247 -1.066) 1.328 38.290 ( -4.993 -3.021 -7.812) 9.751 38.657 ( 2.230 0.896 15.037) 15.228 39.656 ( 0.310 1.372 -7.717) 7.844 39.679 ( 1.609 -0.415 -1.241) 2.074 40.227 ( 1.455 1.465 0.747) 2.196 40.791 ( 0.134 -0.035 -3.579) 3.582 42.539 ( -3.739 -1.312 5.038) 6.409 42.931 ( 1.437 -0.105 -18.555) 18.610 ======================= Grid point 191 (90/125) ======================= q-point: (-0.56 0.22 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( -27.769 -16.960 -15.491) 36.038 3.944 ( -22.775 -9.052 -3.285) 24.727 4.369 ( -14.080 -19.321 -27.854) 36.707 4.583 ( 0.757 0.281 -3.513) 3.604 5.015 ( -2.533 10.884 -11.257) 15.861 5.830 ( 9.399 2.607 4.782) 10.863 6.176 ( 7.923 -3.124 12.091) 14.790 6.284 ( 3.679 2.388 9.378) 10.353 6.402 ( 3.442 8.436 -18.953) 21.030 6.743 ( 10.753 3.539 -14.191) 18.153 7.397 ( -4.121 0.677 9.148) 10.056 8.083 ( -2.527 -2.802 3.900) 5.427 8.422 ( -3.632 2.145 4.934) 6.491 8.745 ( 5.414 -0.744 -5.499) 7.753 8.958 ( 5.322 3.090 6.398) 8.877 9.176 ( -1.965 -2.663 9.329) 9.899 9.361 ( -1.832 3.011 12.909) 13.381 9.847 ( 8.333 3.848 1.775) 9.349 9.971 ( -4.854 -1.545 -13.265) 14.210 10.121 ( 3.546 -0.550 5.737) 6.767 10.423 ( -0.352 -3.656 4.654) 5.929 10.707 ( 0.065 6.103 5.602) 8.285 11.053 ( 6.389 -2.180 4.316) 8.012 11.294 ( -2.503 3.972 -4.803) 6.716 11.756 ( -4.232 -8.154 -8.335) 12.404 11.972 ( -5.330 0.412 -8.563) 10.095 12.155 ( -4.364 -3.578 10.583) 11.994 12.385 ( 8.317 -2.650 -11.368) 14.333 12.578 ( 0.044 12.310 -0.171) 12.312 12.979 ( 8.154 -2.449 -0.708) 8.543 13.311 ( -4.605 4.979 4.643) 8.219 13.742 ( 6.415 -1.681 3.332) 7.422 14.256 ( 1.418 0.852 13.309) 13.411 14.561 ( 7.122 4.080 -2.323) 8.531 14.897 ( 2.717 2.105 20.627) 20.912 15.300 ( -5.835 -4.419 -2.458) 7.721 15.680 ( 3.375 3.467 -0.668) 4.885 16.530 ( -1.166 -0.901 -7.001) 7.154 16.892 ( -3.368 -3.125 3.494) 5.772 17.008 ( -4.945 -1.116 -5.999) 7.854 17.256 ( 1.182 -0.605 -0.364) 1.377 17.957 ( -5.748 0.291 21.237) 22.003 18.150 ( -4.070 -3.827 -6.162) 8.318 18.214 ( -2.044 -3.875 -11.946) 12.724 18.315 ( -0.943 1.915 -5.514) 5.913 18.968 ( -0.094 -2.155 -1.017) 2.384 19.141 ( -0.534 1.493 -4.818) 5.073 19.613 ( -0.841 0.276 -8.231) 8.278 19.919 ( 0.293 -0.709 -0.984) 1.248 20.132 ( 3.489 -0.054 2.320) 4.191 20.342 ( 0.676 2.815 -10.506) 10.898 20.627 ( 2.480 1.226 5.398) 6.066 21.275 ( 1.176 0.019 4.359) 4.515 21.655 ( -7.216 -3.959 2.165) 8.511 21.905 ( -0.524 -0.480 -2.605) 2.700 22.043 ( -2.632 -1.872 1.736) 3.666 22.472 ( 8.699 5.024 8.006) 12.846 26.686 ( -2.983 -1.245 -1.433) 3.535 26.811 ( 0.176 -0.268 -3.368) 3.383 27.053 ( -1.691 -0.927 -0.501) 1.992 29.973 ( -2.010 -1.173 -8.008) 8.339 30.273 ( -0.692 0.251 7.174) 7.212 30.440 ( 4.982 2.364 -0.636) 5.551 36.340 ( 1.731 0.852 3.493) 3.990 36.413 ( 2.614 1.928 -3.093) 4.485 37.203 ( -0.055 -0.050 -7.226) 7.226 37.917 ( -4.152 -1.862 -2.838) 5.363 38.175 ( -2.475 -2.464 -0.174) 3.497 38.841 ( 2.287 0.877 1.198) 2.727 39.559 ( 1.667 1.245 -1.899) 2.817 39.653 ( 0.119 -0.254 -3.778) 3.788 40.323 ( 1.608 2.257 7.437) 7.937 40.752 ( 1.737 0.839 -1.929) 2.728 42.489 ( -8.485 -1.890 -4.889) 9.973 42.703 ( 4.638 -0.747 -8.838) 10.009 ======================= Grid point 192 (91/125) ======================= q-point: (-0.44 0.22 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -36.002 -20.611 -12.119) 43.219 3.313 ( -28.408 -19.371 -30.738) 46.120 3.966 ( -25.460 -10.831 17.807) 32.903 4.585 ( 0.839 0.901 0.590) 1.365 4.912 ( 0.333 -1.094 -2.109) 2.399 5.865 ( -8.025 -2.827 2.856) 8.975 6.161 ( 14.817 7.746 -11.341) 20.203 6.466 ( 5.167 3.980 6.795) 9.419 6.629 ( 10.575 -0.699 5.073) 11.750 6.809 ( 9.205 10.894 6.745) 15.777 7.413 ( 0.574 -3.921 -0.299) 3.974 8.171 ( -2.323 4.273 7.267) 8.744 8.563 ( 0.915 -0.604 2.395) 2.634 8.630 ( 6.541 1.034 -10.189) 12.152 8.964 ( -5.502 -2.469 -2.996) 6.734 9.295 ( 5.439 3.292 -6.641) 9.193 9.467 ( -2.115 1.287 6.444) 6.903 9.789 ( -0.022 -5.126 6.389) 8.191 9.970 ( 1.114 5.381 4.133) 6.876 10.320 ( 12.023 5.365 0.600) 13.179 10.418 ( -7.072 -5.042 2.914) 9.161 10.760 ( 0.222 2.124 -4.872) 5.319 11.057 ( -2.581 -1.101 -5.643) 6.302 11.244 ( -0.498 4.179 -0.116) 4.211 11.628 ( 1.619 -8.343 -2.574) 8.880 11.853 ( -0.324 3.661 -3.081) 4.796 12.177 ( 3.160 -2.228 -5.515) 6.735 12.374 ( 1.719 -1.576 8.313) 8.633 12.650 ( 6.596 12.271 -3.072) 14.266 13.128 ( 7.973 -0.476 10.554) 13.236 13.361 ( -7.519 4.286 5.008) 9.999 13.852 ( 2.704 -7.219 5.156) 9.274 14.437 ( 3.647 1.271 2.865) 4.809 14.682 ( 5.741 4.172 7.802) 10.546 14.968 ( -9.563 -2.717 -5.979) 11.602 15.381 ( 3.320 4.300 9.832) 11.233 15.745 ( 3.716 0.403 0.513) 3.773 16.391 ( -3.417 -2.495 -5.171) 6.681 16.741 ( -8.631 -7.750 -6.167) 13.137 16.980 ( -1.392 0.392 4.187) 4.430 17.303 ( 0.201 3.620 4.742) 5.969 17.809 ( -3.824 3.047 -16.153) 16.876 17.845 ( -1.259 -6.815 -19.196) 20.409 18.166 ( 0.182 -1.539 -7.870) 8.021 18.373 ( -3.882 -1.723 14.158) 14.781 18.944 ( -1.312 -1.651 -0.645) 2.205 19.104 ( 1.065 1.855 -1.000) 2.361 19.442 ( -0.711 0.376 -8.658) 8.695 19.953 ( 0.452 -0.291 3.017) 3.064 20.186 ( 1.976 0.233 -1.668) 2.596 20.313 ( 4.809 2.803 4.417) 7.106 20.765 ( -2.146 0.193 9.545) 9.785 21.342 ( 1.956 -0.363 1.858) 2.722 21.576 ( -6.809 -3.862 -0.859) 7.876 21.839 ( -0.240 -0.350 -3.594) 3.619 22.054 ( -1.943 -1.281 2.379) 3.328 22.646 ( 9.542 6.324 -3.125) 11.866 26.614 ( -1.996 0.067 -4.074) 4.537 26.775 ( 0.830 -3.086 -0.664) 3.264 26.991 ( -3.840 0.062 -1.935) 4.300 29.863 ( -4.327 -2.455 1.074) 5.090 30.310 ( 5.339 2.938 -6.372) 8.817 30.543 ( 0.937 0.647 7.586) 7.671 36.361 ( 1.897 0.978 -0.698) 2.246 36.546 ( 2.622 1.651 10.653) 11.094 37.129 ( -1.410 -0.876 0.993) 1.934 37.779 ( -6.498 -3.610 -4.819) 8.859 38.169 ( -1.366 -0.916 1.561) 2.268 38.770 ( 5.009 3.084 -11.942) 13.312 39.556 ( -0.961 -0.593 -3.788) 3.953 39.664 ( 1.342 0.697 7.731) 7.878 40.490 ( 0.127 -0.178 8.308) 8.311 40.784 ( 3.450 1.910 2.243) 4.537 42.264 ( -3.110 -2.195 -10.727) 11.383 42.665 ( -1.035 0.059 1.373) 1.720 ======================= Grid point 193 (92/125) ======================= q-point: (-0.33 0.22 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -36.085 -16.389 10.638) 41.035 2.679 ( -28.799 -21.038 11.060) 37.340 4.072 ( -26.104 -10.995 29.763) 41.087 4.631 ( 2.003 2.086 3.215) 4.324 4.956 ( 2.521 -3.448 6.331) 7.637 5.812 ( -9.679 -3.194 3.079) 10.648 6.225 ( 12.027 8.791 -3.648) 15.338 6.605 ( 1.389 -1.600 -3.588) 4.167 6.640 ( 0.339 -0.328 4.642) 4.666 7.180 ( 12.374 11.068 11.317) 20.093 7.417 ( 12.027 -3.991 -5.170) 13.686 8.113 ( -7.468 -1.377 -15.814) 17.543 8.361 ( 0.393 3.328 -5.265) 6.241 8.756 ( 4.062 4.733 0.172) 6.240 8.898 ( -0.403 -1.274 -0.135) 1.343 9.086 ( 1.585 -2.449 -11.301) 11.672 9.692 ( 5.407 2.391 10.326) 11.899 9.860 ( 2.383 -4.525 -2.408) 5.653 10.065 ( -0.553 5.666 -0.138) 5.694 10.284 ( -11.094 -0.896 3.647) 11.712 10.449 ( 9.525 5.876 -7.444) 13.441 10.674 ( 3.892 -5.335 -3.418) 7.436 10.899 ( -6.295 0.779 -5.541) 8.423 11.315 ( 4.217 3.331 4.871) 7.253 11.497 ( -3.165 0.559 -9.678) 10.198 11.829 ( -2.912 0.577 0.274) 2.981 12.124 ( 4.740 0.390 -5.154) 7.013 12.568 ( 8.663 -10.097 7.742) 15.393 12.761 ( 3.091 11.591 2.666) 12.289 13.340 ( -7.579 -0.174 -1.268) 7.686 13.427 ( 6.102 4.718 11.069) 13.491 13.931 ( 2.649 -5.746 8.623) 10.696 14.400 ( -9.320 3.271 -11.091) 14.851 14.751 ( -0.347 -2.814 -1.642) 3.277 14.953 ( 9.678 -0.346 10.584) 14.346 15.469 ( -4.130 10.469 -6.509) 13.001 15.789 ( 6.847 -4.861 4.379) 9.470 16.279 ( -3.330 -3.199 -2.012) 5.037 16.521 ( -8.247 -4.706 -4.812) 10.645 17.065 ( -5.498 1.944 4.393) 7.301 17.381 ( -0.033 1.190 -3.874) 4.052 17.523 ( 2.289 -6.351 -11.973) 13.745 17.665 ( 4.996 7.460 4.390) 9.995 18.018 ( 1.236 -1.518 -8.713) 8.931 18.458 ( -4.431 -4.377 2.698) 6.787 18.901 ( -1.996 1.306 -2.058) 3.150 19.100 ( 1.204 1.073 -2.540) 3.009 19.328 ( 0.238 -1.581 -4.623) 4.891 20.004 ( 2.271 -1.437 2.536) 3.695 20.235 ( -0.183 3.379 5.440) 6.407 20.481 ( 4.027 0.512 6.577) 7.729 20.878 ( -6.070 -1.416 7.709) 9.913 21.364 ( -0.658 0.421 -3.983) 4.059 21.494 ( -0.654 -1.616 2.599) 3.130 21.783 ( 0.051 -0.157 -2.529) 2.534 22.033 ( -4.149 -2.801 -1.029) 5.111 22.610 ( 7.056 6.082 -13.398) 16.318 26.514 ( 0.148 -0.067 -6.252) 6.254 26.728 ( -2.000 -4.824 -1.372) 5.399 26.985 ( -1.851 2.126 4.445) 5.263 29.908 ( -1.858 -1.096 7.427) 7.733 30.251 ( 3.896 1.492 -5.412) 6.833 30.664 ( 0.808 0.888 4.249) 4.416 36.404 ( 2.282 1.786 2.200) 3.638 36.743 ( 1.698 -1.809 7.795) 8.180 37.233 ( -0.180 1.403 11.176) 11.265 37.635 ( -3.759 -2.269 -1.739) 4.722 38.171 ( -1.973 0.423 0.943) 2.227 38.646 ( 6.082 4.695 -9.889) 12.523 39.508 ( -0.134 -0.923 0.234) 0.961 39.821 ( -0.041 1.291 7.983) 8.087 40.575 ( 0.546 -2.586 2.804) 3.854 40.885 ( 1.323 -1.229 4.448) 4.800 42.066 ( -2.779 -4.903 -6.884) 8.897 42.775 ( 2.883 7.416 10.007) 12.785 ======================= Grid point 194 (93/125) ======================= q-point: (-0.22 0.22 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -23.474 -12.622 37.418) 45.939 2.898 ( -21.526 -14.390 45.465) 52.321 4.395 ( -14.611 -4.859 38.401) 41.373 4.789 ( 2.741 3.428 10.889) 11.740 5.078 ( -0.799 -2.912 7.241) 7.845 5.756 ( -4.357 -1.238 1.021) 4.643 6.323 ( 7.471 5.920 -1.756) 9.692 6.450 ( -0.198 -1.814 -11.144) 11.292 6.765 ( -1.011 -5.075 9.007) 10.388 7.265 ( 4.664 -1.726 -11.539) 12.564 7.589 ( 9.907 13.398 6.438) 17.863 7.801 ( -1.138 -5.340 -10.476) 11.813 8.211 ( -2.694 -1.444 -12.326) 12.699 8.639 ( -2.992 3.772 -10.503) 11.554 8.937 ( 2.765 -0.528 1.297) 3.100 9.079 ( 6.995 -1.707 2.580) 7.648 9.669 ( -2.862 -1.491 -11.866) 12.297 9.845 ( 0.041 7.204 -4.095) 8.286 9.975 ( 3.647 -3.737 -8.522) 9.995 10.332 ( 0.422 5.266 5.464) 7.600 10.419 ( 9.024 -1.526 -10.183) 13.691 10.612 ( 5.214 -3.844 -5.152) 8.277 10.891 ( -4.847 4.998 9.386) 11.687 11.240 ( -5.063 3.451 -11.737) 13.240 11.530 ( -6.088 2.886 14.257) 15.769 11.819 ( -1.770 0.614 -0.849) 2.057 12.074 ( 5.079 -1.321 -5.076) 7.301 12.599 ( 9.405 -15.504 -4.242) 18.623 12.875 ( -4.658 9.441 1.637) 10.654 13.212 ( -5.363 -3.820 -1.499) 6.753 13.554 ( -2.664 2.793 -2.903) 4.830 13.987 ( -14.545 0.182 -15.137) 20.994 14.130 ( 2.980 -3.356 9.110) 10.155 14.843 ( 5.980 -6.479 0.887) 8.861 15.135 ( 5.763 10.254 5.109) 12.824 15.523 ( 2.399 8.840 11.194) 14.464 15.911 ( 6.201 -2.732 0.721) 6.815 16.166 ( -0.902 -2.795 -5.876) 6.569 16.410 ( -3.726 -2.111 2.386) 4.902 16.942 ( -2.768 1.319 -11.454) 11.857 17.236 ( -2.030 0.720 -10.762) 10.976 17.512 ( 3.363 -4.461 6.591) 8.640 17.845 ( 4.234 -5.002 -8.094) 10.415 18.024 ( 6.505 11.422 14.216) 19.362 18.389 ( -3.100 -3.622 -1.297) 4.941 18.867 ( -1.043 3.373 -1.106) 3.700 19.063 ( 1.607 -0.037 -3.091) 3.484 19.255 ( -0.099 -3.542 -2.171) 4.156 20.072 ( 0.967 -1.556 3.711) 4.139 20.339 ( -4.407 4.175 3.384) 6.950 20.549 ( -1.265 -1.925 0.834) 2.450 20.940 ( -0.528 1.280 7.042) 7.177 21.254 ( -2.386 -2.758 -1.828) 4.079 21.607 ( 0.934 -0.340 5.044) 5.141 21.760 ( 0.133 0.421 0.294) 0.530 21.919 ( -3.688 -2.946 -4.088) 6.245 22.448 ( 0.974 2.677 -12.108) 12.438 26.427 ( 0.855 0.300 -3.669) 3.779 26.684 ( -2.322 -2.504 1.757) 3.840 27.090 ( 1.151 1.772 5.503) 5.894 29.962 ( 3.540 2.129 -3.708) 5.551 30.282 ( -1.282 -1.371 7.119) 7.362 30.702 ( 1.465 0.905 -1.801) 2.492 36.480 ( 1.116 2.581 2.851) 4.005 36.814 ( 1.494 -4.643 1.886) 5.229 37.359 ( -3.670 2.052 3.100) 5.224 37.695 ( 5.427 1.242 4.153) 6.946 38.176 ( 0.823 0.234 -0.747) 1.136 38.665 ( 7.909 8.611 2.059) 11.871 39.557 ( 0.850 -1.375 5.431) 5.667 39.923 ( -1.474 3.348 2.602) 4.489 40.587 ( -1.920 -4.637 1.283) 5.180 40.919 ( 0.648 -3.122 0.711) 3.267 41.930 ( -5.061 -7.231 0.578) 8.845 43.141 ( 14.234 14.529 12.950) 24.112 ======================= Grid point 199 (94/125) ======================= q-point: ( 0.33 -0.67 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( -0.213 -27.857 -9.902) 29.566 4.245 ( 3.357 -11.753 -15.934) 20.082 4.523 ( -4.698 -4.445 -2.028) 6.778 4.664 ( -8.169 -4.459 -18.823) 20.998 4.919 ( 12.166 25.045 -7.337) 28.794 5.722 ( -2.237 -3.162 12.147) 12.750 6.047 ( -2.249 2.214 -3.776) 4.921 6.252 ( 1.437 9.528 4.434) 10.607 6.428 ( 1.526 -1.339 -13.894) 14.041 6.607 ( -1.682 5.628 -13.224) 14.470 7.443 ( 1.142 -1.774 14.609) 14.761 8.132 ( -0.653 -4.725 4.189) 6.348 8.476 ( 3.110 -4.430 -1.898) 5.736 8.639 ( -3.639 -5.267 -2.270) 6.792 8.872 ( 0.767 13.129 5.542) 14.272 9.274 ( -1.748 -6.220 11.048) 12.798 9.373 ( 3.180 0.914 13.760) 14.152 9.702 ( -1.313 7.573 5.013) 9.176 10.000 ( 0.486 1.386 -11.513) 11.606 10.139 ( -0.764 -1.281 -2.987) 3.339 10.440 ( -0.766 -0.589 6.664) 6.734 10.687 ( 2.022 -0.758 4.683) 5.157 11.007 ( -2.072 0.291 6.313) 6.651 11.286 ( 1.587 3.219 -1.595) 3.927 11.821 ( -1.732 -4.645 -10.416) 11.536 12.069 ( 2.020 -3.951 -15.351) 15.979 12.222 ( 2.289 -2.182 7.284) 7.941 12.259 ( -5.981 2.978 -6.464) 9.297 12.540 ( 4.400 -8.093 1.464) 9.327 12.905 ( -2.525 14.752 -6.947) 16.500 13.363 ( 2.785 -6.095 13.545) 15.112 13.677 ( -2.157 10.891 1.778) 11.244 14.256 ( 0.058 -0.843 13.340) 13.367 14.477 ( 0.017 2.732 -1.321) 3.034 14.860 ( 0.081 2.194 23.987) 24.087 15.383 ( -0.394 -7.384 -3.857) 8.340 15.629 ( 0.536 5.381 -1.312) 5.564 16.543 ( -0.083 0.489 -6.002) 6.023 16.906 ( -0.169 -4.537 2.905) 5.390 17.082 ( 0.414 -3.587 -6.896) 7.784 17.241 ( -0.409 5.049 -0.849) 5.136 17.997 ( 1.035 -5.921 25.350) 26.053 18.188 ( -0.594 -6.810 -8.998) 11.300 18.270 ( -1.775 -0.122 -11.174) 11.315 18.303 ( 1.809 4.181 -8.616) 9.746 18.978 ( -0.626 -1.372 -0.867) 1.740 19.137 ( 0.582 0.404 -5.665) 5.709 19.611 ( 0.173 -0.386 -8.182) 8.193 19.921 ( -0.299 0.250 0.549) 0.673 20.113 ( -0.529 0.027 0.532) 0.751 20.323 ( 0.672 2.388 -11.867) 12.124 20.601 ( -0.037 1.509 8.147) 8.286 21.266 ( -0.150 0.546 4.329) 4.365 21.740 ( 0.087 -6.423 4.174) 7.661 21.907 ( -0.051 0.902 -2.441) 2.603 22.081 ( -0.219 -4.849 -1.728) 5.152 22.366 ( 0.090 8.527 8.285) 11.890 26.718 ( 0.209 -3.653 -1.098) 3.820 26.805 ( -0.214 2.102 -4.828) 5.270 27.071 ( 0.042 -0.642 0.102) 0.651 29.995 ( -0.012 -0.527 -6.699) 6.720 30.284 ( 0.277 -3.630 3.770) 5.241 30.384 ( -0.236 5.296 2.019) 5.672 36.323 ( -0.025 0.866 4.852) 4.928 36.386 ( 0.083 1.572 -3.769) 4.085 37.204 ( -0.001 -0.245 -6.234) 6.238 37.952 ( 0.161 -0.429 -2.132) 2.181 38.213 ( -0.291 -3.618 -1.270) 3.845 38.814 ( -0.090 1.908 -0.521) 1.980 39.538 ( 0.027 0.724 -0.618) 0.952 39.656 ( -0.016 -0.105 -3.796) 3.798 40.303 ( 0.295 1.765 8.811) 8.991 40.735 ( -0.049 0.437 -2.829) 2.863 42.576 ( 1.804 -3.867 -11.162) 11.950 42.657 ( -1.893 1.322 -2.727) 3.573 ======================= Grid point 201 (95/125) ======================= q-point: (-0.56 0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -9.751 -42.795 -14.832) 46.330 3.815 ( -20.463 -2.766 -17.756) 27.233 4.376 ( -11.675 -3.312 6.113) 13.589 4.560 ( 2.441 -1.062 0.829) 2.788 4.931 ( -4.106 19.617 -12.806) 23.784 5.726 ( 15.377 8.709 -7.369) 19.146 6.026 ( 2.484 0.474 2.044) 3.252 6.404 ( 3.212 -4.155 12.379) 13.447 6.457 ( -0.345 -0.240 4.183) 4.204 6.678 ( 4.857 10.259 9.262) 14.650 7.546 ( -7.971 -3.891 1.293) 8.964 8.170 ( 1.404 -6.132 6.346) 8.935 8.465 ( 6.263 0.004 -4.649) 7.800 8.582 ( -0.876 -4.583 -0.251) 4.673 8.997 ( 0.784 -0.688 -3.435) 3.590 9.269 ( -1.928 7.421 -1.796) 7.875 9.593 ( -7.753 0.444 5.676) 9.619 9.733 ( 5.617 -1.201 -0.980) 5.827 9.920 ( 3.898 3.062 3.954) 6.340 10.089 ( 6.453 5.958 -5.986) 10.629 10.521 ( -3.120 -1.616 5.151) 6.235 10.769 ( -0.120 -0.331 -1.124) 1.178 11.094 ( -0.941 1.646 3.295) 3.801 11.269 ( 0.567 -1.820 -3.556) 4.035 11.643 ( -4.174 -9.342 -1.888) 10.404 11.854 ( 0.042 5.537 -6.510) 8.546 12.138 ( 0.951 0.599 -2.974) 3.179 12.353 ( -0.914 -3.355 6.116) 7.036 12.521 ( 7.290 -0.365 -4.939) 8.813 13.006 ( 3.225 7.859 9.662) 12.865 13.513 ( -4.816 1.437 7.317) 8.877 13.800 ( 0.549 3.208 5.573) 6.454 14.377 ( 2.304 -3.141 0.578) 3.938 14.595 ( 2.170 4.374 11.021) 12.054 15.112 ( -3.419 -7.988 0.636) 8.712 15.315 ( 2.421 2.477 3.973) 5.271 15.693 ( 1.199 5.309 1.965) 5.787 16.453 ( -2.250 -2.592 -2.793) 4.425 16.854 ( -3.274 -8.447 -3.192) 9.605 16.994 ( -0.386 3.689 1.445) 3.981 17.296 ( 1.002 5.001 1.962) 5.465 17.784 ( 2.304 -6.462 -25.423) 26.332 17.958 ( -5.915 0.343 -16.208) 17.257 18.149 ( 1.401 1.744 -10.559) 10.793 18.429 ( -1.598 -2.214 15.529) 15.767 18.969 ( -1.232 -2.380 0.619) 2.751 19.082 ( 1.293 2.441 -2.320) 3.608 19.447 ( 0.153 -1.610 -8.068) 8.228 19.952 ( -0.325 0.289 1.519) 1.580 20.169 ( -0.463 1.460 0.222) 1.548 20.238 ( 2.868 2.646 4.030) 5.609 20.790 ( -0.250 -0.596 12.932) 12.949 21.319 ( 0.290 -0.255 1.467) 1.517 21.707 ( -5.278 -9.084 -1.197) 10.574 21.847 ( -0.560 -0.984 -3.673) 3.844 22.054 ( 1.410 0.401 1.303) 1.961 22.499 ( 4.652 8.821 -2.546) 10.293 26.640 ( -0.372 -1.698 -6.079) 6.322 26.775 ( -0.939 -0.082 1.123) 1.467 27.035 ( -0.623 0.486 -3.220) 3.316 29.938 ( -2.688 -1.963 2.421) 4.116 30.221 ( 3.048 1.999 -8.149) 8.927 30.529 ( 0.413 0.638 8.787) 8.819 36.336 ( 0.603 0.336 -0.632) 0.936 36.509 ( 1.077 1.356 12.016) 12.140 37.146 ( -0.382 -1.601 0.799) 1.830 37.880 ( -3.109 -0.725 -4.724) 5.701 38.194 ( -0.937 -4.566 1.953) 5.054 38.680 ( 3.132 7.128 -15.565) 17.404 39.568 ( -0.287 -0.034 -4.804) 4.813 39.649 ( 0.354 -0.955 10.226) 10.276 40.508 ( -1.381 -1.398 12.402) 12.557 40.720 ( 2.510 1.892 0.531) 3.188 42.303 ( -0.993 -0.251 -14.273) 14.309 42.684 ( -0.555 -1.097 2.578) 2.856 ======================= Grid point 202 (96/125) ======================= q-point: (-0.44 0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -15.620 -34.652 9.284) 39.127 3.338 ( -35.823 2.684 -0.225) 35.924 4.463 ( -13.010 -0.115 16.698) 21.168 4.618 ( 0.381 -1.864 4.657) 5.031 4.851 ( 6.674 7.358 -2.062) 10.146 5.835 ( 8.332 9.271 -6.946) 14.270 6.106 ( -0.776 2.179 8.066) 8.391 6.500 ( 5.021 -6.202 5.635) 9.769 6.686 ( 1.213 -3.026 10.783) 11.265 6.935 ( 8.817 8.363 5.597) 13.379 7.385 ( -8.290 -3.380 -2.801) 9.381 8.175 ( -0.539 -9.026 -17.892) 20.047 8.369 ( 3.481 3.700 4.995) 7.125 8.627 ( 5.567 -5.470 1.424) 7.933 8.881 ( 0.401 3.366 -3.695) 5.015 9.157 ( -6.551 2.003 -14.426) 15.970 9.634 ( 0.158 4.463 7.652) 8.859 9.795 ( 3.879 -0.739 -1.648) 4.279 10.049 ( 1.199 2.169 1.058) 2.695 10.109 ( 17.268 8.390 -10.569) 21.915 10.519 ( -7.082 -2.420 0.783) 7.525 10.677 ( -3.139 -2.337 -4.012) 5.604 11.045 ( -3.928 -3.642 -5.583) 7.737 11.237 ( 1.510 1.528 6.528) 6.872 11.576 ( -3.824 -1.592 -1.147) 4.298 11.867 ( -0.524 0.387 2.648) 2.727 12.118 ( -4.986 1.226 1.267) 5.288 12.373 ( 9.680 -8.178 -2.213) 12.864 12.679 ( 5.584 6.911 10.732) 13.933 13.259 ( 7.816 -2.712 8.820) 12.093 13.547 ( -11.288 10.384 1.222) 15.386 13.887 ( 2.791 -2.741 4.839) 6.222 14.405 ( 4.656 1.623 -0.035) 4.931 14.779 ( 2.239 -5.132 1.471) 5.789 14.897 ( -5.176 -6.150 -4.737) 9.330 15.474 ( 5.154 6.456 4.195) 9.266 15.701 ( -0.230 0.222 -3.200) 3.216 16.365 ( -4.617 -5.283 -1.837) 7.253 16.703 ( -9.768 -2.181 -2.101) 10.227 17.094 ( 2.827 5.340 -4.495) 7.531 17.337 ( 3.603 -3.527 -2.627) 5.685 17.473 ( 3.543 6.031 -3.694) 7.910 17.649 ( -3.554 1.153 -11.939) 12.510 17.992 ( 1.202 2.733 -9.542) 9.998 18.537 ( -3.321 -4.078 2.445) 5.800 18.939 ( -1.500 0.583 -1.616) 2.281 19.068 ( 1.719 0.497 -2.957) 3.457 19.345 ( -1.398 0.329 -3.427) 3.716 19.972 ( 0.726 0.030 2.001) 2.128 20.216 ( 2.038 3.153 4.347) 5.744 20.426 ( 1.362 -0.559 11.115) 11.212 20.980 ( -4.014 -4.734 11.099) 12.717 21.341 ( 2.055 0.171 0.478) 2.117 21.543 ( -3.556 -4.330 -5.716) 8.004 21.788 ( -0.412 -0.205 -2.029) 2.080 22.089 ( -1.594 -2.143 0.745) 2.773 22.473 ( 6.329 8.320 -10.632) 14.911 26.515 ( -0.185 0.151 -7.039) 7.043 26.777 ( -3.154 -2.214 1.218) 4.041 27.000 ( 0.602 2.502 -0.428) 2.609 29.956 ( -2.567 -0.812 0.741) 2.793 30.179 ( 3.143 1.052 1.431) 3.610 30.649 ( 0.753 -0.321 3.919) 4.004 36.369 ( 1.265 0.883 2.991) 3.366 36.715 ( 0.927 -3.440 9.269) 9.930 37.224 ( 0.869 -0.580 9.150) 9.210 37.736 ( -5.900 0.367 -5.512) 8.083 38.186 ( 1.200 -2.179 -1.625) 2.971 38.535 ( 4.519 8.715 -9.398) 13.590 39.515 ( -0.487 0.048 -0.221) 0.537 39.820 ( 0.173 -1.352 9.300) 9.400 40.589 ( -1.901 -2.314 2.119) 3.669 40.855 ( 1.581 -3.470 9.848) 10.560 42.106 ( -1.546 1.622 -7.542) 7.868 42.734 ( 1.837 2.871 3.361) 4.787 ======================= Grid point 203 (97/125) ======================= q-point: (-0.33 0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -23.262 -16.498 29.090) 40.737 3.347 ( -25.575 -1.447 36.799) 44.837 4.609 ( -5.576 -0.750 12.100) 13.344 4.788 ( -3.448 2.802 17.711) 18.260 5.045 ( 6.128 1.867 10.723) 12.491 5.740 ( 2.928 2.740 -10.975) 11.685 6.243 ( 1.279 6.345 0.215) 6.476 6.516 ( -4.419 -8.967 -3.847) 10.711 6.775 ( -1.147 -3.943 7.914) 8.915 7.086 ( 13.693 -4.634 -2.434) 14.660 7.436 ( 4.021 11.459 8.455) 14.797 7.828 ( -1.858 -4.324 -12.416) 13.278 8.333 ( -9.264 0.120 -10.677) 14.137 8.654 ( 3.724 -0.312 -5.695) 6.811 8.897 ( 0.461 -2.430 -2.196) 3.308 8.946 ( 4.908 0.727 2.319) 5.477 9.641 ( 5.801 1.867 -14.255) 15.503 9.808 ( 1.210 1.861 -2.031) 3.009 9.932 ( 4.712 7.306 -15.016) 17.352 10.153 ( 8.766 -0.081 -4.873) 10.030 10.428 ( -6.397 -0.904 -1.207) 6.572 10.589 ( -0.577 -2.411 0.459) 2.521 10.969 ( -1.264 2.598 1.787) 3.397 11.352 ( -4.893 -2.787 -5.919) 8.170 11.606 ( -2.202 4.839 18.170) 18.932 11.879 ( -3.492 -0.174 1.317) 3.736 12.090 ( -7.248 -0.693 0.885) 7.334 12.398 ( 10.630 -14.656 0.401) 18.109 12.894 ( 1.982 3.683 4.485) 6.133 13.310 ( -2.448 -6.245 -3.556) 7.592 13.551 ( -1.362 10.554 1.358) 10.728 13.975 ( 6.316 -0.769 -2.525) 6.845 14.330 ( -10.187 -2.608 -7.602) 12.976 14.718 ( 4.771 -3.527 5.464) 8.066 14.973 ( 8.570 -1.340 4.705) 9.868 15.566 ( -6.141 8.340 2.801) 10.729 15.739 ( 11.558 -6.250 5.837) 14.378 16.203 ( -4.113 -0.661 -9.779) 10.630 16.575 ( -10.698 0.969 -1.165) 10.804 16.925 ( 4.427 2.350 -13.861) 14.740 17.258 ( 0.514 -1.308 -9.337) 9.442 17.484 ( -0.648 0.435 2.261) 2.392 17.721 ( 7.835 2.059 -1.003) 8.163 17.932 ( 2.021 8.500 4.007) 9.611 18.464 ( -3.909 -2.653 -1.934) 5.104 18.900 ( -1.813 3.220 -2.189) 4.295 19.021 ( 2.589 -0.009 -4.547) 5.233 19.290 ( -3.240 0.929 -0.489) 3.406 20.050 ( 1.319 1.044 4.670) 4.964 20.368 ( 1.158 2.085 7.524) 7.893 20.564 ( -0.642 -3.171 4.872) 5.848 21.004 ( -5.147 -3.372 0.626) 6.185 21.280 ( -0.666 -1.626 -2.983) 3.462 21.564 ( 3.063 -1.730 6.670) 7.541 21.769 ( -0.942 0.213 0.392) 1.043 22.001 ( -4.265 -2.424 -4.599) 6.725 22.397 ( 4.029 5.021 -8.785) 10.891 26.420 ( -0.081 2.200 -4.169) 4.715 26.742 ( -3.723 -1.644 0.946) 4.178 27.055 ( 2.592 2.195 2.314) 4.110 29.909 ( 2.002 2.208 -4.268) 5.206 30.312 ( -1.835 -2.495 10.610) 11.053 30.669 ( 1.764 -0.360 -2.366) 2.973 36.459 ( 1.053 1.305 4.695) 4.986 36.782 ( 1.373 -7.495 2.214) 7.935 37.409 ( -0.326 4.054 7.043) 8.133 37.638 ( -1.164 1.121 -0.797) 1.801 38.135 ( 4.251 1.234 -6.549) 7.904 38.560 ( 3.112 5.906 3.082) 7.353 39.556 ( -0.560 -0.385 5.250) 5.293 39.939 ( -0.092 0.207 4.634) 4.640 40.585 ( 0.517 -2.385 0.771) 2.560 40.955 ( -3.167 -9.218 6.346) 11.630 42.013 ( -3.867 0.150 -1.420) 4.122 42.911 ( 9.878 10.395 6.542) 15.761 ======================= Grid point 204 (98/125) ======================= q-point: (-0.22 0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -17.756 -9.587 41.272) 45.941 3.808 ( -23.275 -7.006 38.970) 45.929 4.837 ( 3.457 3.037 13.382) 14.151 5.020 ( -2.293 -0.570 1.610) 2.859 5.321 ( -3.269 3.670 22.826) 23.349 5.673 ( 11.207 5.760 -4.946) 13.536 6.105 ( 3.540 -1.230 -12.783) 13.321 6.414 ( -6.884 -3.630 1.146) 7.866 6.827 ( 1.480 -0.756 -4.171) 4.489 7.090 ( 7.868 -2.582 -3.930) 9.166 7.607 ( -4.359 -0.661 -7.470) 8.674 7.778 ( 5.049 2.701 10.910) 12.321 8.057 ( -5.172 -1.229 -3.810) 6.541 8.487 ( 0.182 2.727 -11.638) 11.955 8.881 ( 3.576 -2.376 -2.229) 4.837 9.072 ( 4.726 1.090 0.420) 4.868 9.434 ( 5.614 7.725 -16.335) 18.922 9.700 ( 4.677 0.837 -9.942) 11.019 9.810 ( -2.360 0.195 -3.562) 4.277 10.117 ( 6.741 -3.512 -3.982) 8.581 10.425 ( 1.474 4.364 -1.191) 4.757 10.608 ( -1.434 -5.078 3.372) 6.263 11.012 ( -6.511 7.125 -2.328) 9.928 11.194 ( -1.162 4.185 -0.408) 4.363 11.761 ( -0.755 -7.358 -7.033) 10.206 11.893 ( -1.841 -4.431 6.564) 8.131 12.108 ( -12.700 0.448 18.311) 22.289 12.457 ( 6.132 -7.211 6.267) 11.352 12.917 ( -2.656 -1.596 -2.374) 3.903 13.168 ( -2.371 -2.700 -6.495) 7.422 13.514 ( -5.158 1.851 -6.767) 8.708 13.798 ( -0.618 0.618 -16.255) 16.279 14.228 ( -4.821 -5.842 4.921) 9.033 14.799 ( 0.513 -5.756 0.487) 5.799 15.196 ( 13.743 7.468 5.306) 16.517 15.639 ( -1.524 1.255 -1.693) 2.601 15.796 ( 2.848 -1.267 -1.223) 3.348 16.178 ( 5.618 4.216 6.413) 9.511 16.497 ( -3.373 -1.638 2.307) 4.403 16.779 ( 1.258 -0.458 -5.704) 5.859 17.078 ( -4.201 4.483 -10.530) 12.192 17.490 ( 6.045 -0.082 -7.658) 9.757 17.698 ( 1.937 0.041 1.748) 2.610 18.138 ( 7.351 7.437 1.180) 10.523 18.458 ( -2.134 -0.156 6.201) 6.560 18.874 ( 0.167 2.997 -1.419) 3.321 18.989 ( 2.852 2.135 -2.575) 4.396 19.285 ( -3.829 1.506 2.839) 4.999 20.115 ( -1.298 -1.097 0.771) 1.866 20.402 ( -2.113 1.313 -1.818) 3.081 20.574 ( -2.422 -4.502 1.948) 5.471 21.050 ( 3.649 2.504 8.682) 9.745 21.301 ( -2.282 -2.397 5.480) 6.402 21.610 ( -0.078 -4.714 -3.216) 5.707 21.789 ( -0.206 -1.048 2.994) 3.179 21.897 ( -3.034 0.253 -1.234) 3.285 22.287 ( -0.128 2.428 -8.751) 9.083 26.406 ( 0.710 3.954 0.160) 4.020 26.741 ( -2.198 -1.149 3.435) 4.237 27.115 ( 3.659 1.627 -0.929) 4.110 29.911 ( 1.285 1.705 1.640) 2.692 30.391 ( -2.015 -1.900 0.736) 2.865 30.629 ( 1.374 -1.162 -2.553) 3.124 36.536 ( 0.200 -0.322 2.645) 2.672 36.785 ( 1.617 -3.859 0.932) 4.286 37.462 ( -4.502 5.540 1.594) 7.315 37.677 ( 4.576 -0.127 0.348) 4.591 38.072 ( 4.449 1.464 -6.362) 7.901 38.730 ( 5.906 4.464 6.160) 9.631 39.653 ( -0.287 -1.493 6.499) 6.675 39.967 ( -1.724 2.194 -1.080) 2.992 40.609 ( 0.311 -3.363 2.272) 4.070 40.912 ( -5.279 -8.318 0.269) 9.855 42.001 ( -3.146 -1.137 5.084) 6.086 43.208 ( 15.425 12.791 3.718) 20.381 ======================= Grid point 209 (99/125) ======================= q-point: ( 0.33 -0.56 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 10.031 -41.751 -15.471) 45.641 3.877 ( 19.463 -1.560 -15.339) 24.830 4.281 ( 11.652 -5.605 -4.253) 13.611 4.562 ( -1.124 -1.218 1.369) 2.150 4.968 ( 3.809 19.652 -0.288) 20.020 5.724 ( -15.251 8.546 -14.429) 22.668 6.003 ( -1.873 -1.591 2.769) 3.703 6.370 ( -1.332 -2.754 12.589) 12.955 6.576 ( -6.126 0.753 6.106) 8.682 6.627 ( -1.665 11.109 7.713) 13.626 7.542 ( 7.386 -3.572 4.242) 9.237 8.148 ( 0.352 -8.584 4.065) 9.505 8.464 ( -5.392 0.317 -0.930) 5.481 8.612 ( -1.382 -2.526 -3.692) 4.682 9.010 ( -1.682 -0.656 -0.798) 1.974 9.261 ( 2.765 8.148 -6.246) 10.632 9.523 ( 6.653 -4.108 7.521) 10.849 9.780 ( -4.512 0.814 0.339) 4.598 9.914 ( -2.123 2.603 4.281) 5.441 10.103 ( -7.757 7.340 -7.565) 13.087 10.527 ( 2.782 -0.775 4.024) 4.953 10.756 ( 0.949 -1.776 0.981) 2.240 11.098 ( 1.165 1.745 -1.821) 2.778 11.224 ( 1.459 -6.046 1.553) 6.410 11.733 ( -0.875 -4.191 -10.408) 11.254 11.822 ( 2.373 5.367 3.133) 6.652 12.157 ( -2.987 4.609 -7.216) 9.068 12.388 ( 2.919 -2.014 6.823) 7.689 12.444 ( -6.423 -6.920 -1.103) 9.506 13.023 ( -4.565 9.488 6.109) 12.173 13.462 ( 7.275 -3.653 9.510) 12.518 13.865 ( -3.668 9.874 5.083) 11.695 14.370 ( -2.248 -3.437 -0.850) 4.194 14.597 ( -2.077 3.841 12.614) 13.348 15.089 ( 4.544 -9.408 0.022) 10.448 15.312 ( -1.721 1.104 2.586) 3.297 15.701 ( -1.798 6.252 3.488) 7.382 16.454 ( 2.124 -2.370 -2.810) 4.245 16.885 ( 1.511 -7.664 -1.930) 8.046 16.979 ( 1.356 4.177 -0.142) 4.393 17.273 ( 0.405 2.608 0.833) 2.768 17.768 ( -1.003 -6.787 -22.721) 23.734 17.983 ( 4.360 1.355 -17.601) 18.183 18.151 ( -1.974 2.534 -11.158) 11.611 18.428 ( 1.747 -2.483 16.642) 16.917 18.978 ( 0.845 -1.834 -0.721) 2.144 19.070 ( -0.752 1.632 -1.374) 2.262 19.443 ( 0.146 -2.070 -7.964) 8.230 19.956 ( 0.080 0.697 2.371) 2.473 20.179 ( 0.262 2.456 -4.907) 5.493 20.231 ( -2.969 2.122 8.385) 9.145 20.781 ( 0.798 -1.522 12.795) 12.910 21.326 ( -0.792 0.600 1.496) 1.796 21.709 ( 5.227 -9.005 -1.172) 10.478 21.848 ( 0.484 -0.878 -3.722) 3.855 22.057 ( -1.538 0.557 1.338) 2.114 22.492 ( -4.284 8.283 -2.918) 9.771 26.632 ( 0.888 -2.328 -5.666) 6.189 26.795 ( -0.407 1.821 1.625) 2.474 27.023 ( 1.429 -0.749 -3.994) 4.308 29.937 ( 2.707 -2.008 2.385) 4.129 30.222 ( -3.105 2.102 -7.886) 8.732 30.528 ( -0.374 0.576 8.625) 8.652 36.337 ( -0.643 0.397 -0.701) 1.031 36.508 ( -1.031 1.285 12.332) 12.442 37.146 ( 0.359 -1.564 0.753) 1.772 37.879 ( 3.164 -0.820 -4.468) 5.536 38.194 ( 0.897 -4.503 1.081) 4.717 38.680 ( -3.078 7.050 -15.475) 17.282 39.568 ( 0.271 0.007 -4.798) 4.806 39.649 ( -0.360 -0.967 10.236) 10.288 40.510 ( 1.262 -1.166 13.255) 13.366 40.720 ( -2.529 1.886 0.422) 3.183 42.305 ( 0.844 -0.005 -13.552) 13.579 42.680 ( 0.801 -1.499 1.445) 2.231 ======================= Grid point 210 (100/125) ======================= q-point: ( 0.44 -0.56 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 0.772 -34.978 7.394) 35.759 3.834 ( -6.452 -0.195 1.370) 6.599 4.363 ( 14.829 -0.624 3.496) 15.248 4.597 ( -0.134 -0.917 3.897) 4.006 4.961 ( -12.655 21.508 -6.222) 25.719 5.677 ( 4.616 10.228 5.096) 12.324 6.075 ( 3.778 -4.111 4.558) 7.208 6.509 ( -6.367 -6.565 4.761) 10.310 6.624 ( 1.988 0.816 12.567) 12.749 6.875 ( 0.156 7.772 8.459) 11.488 7.564 ( -4.114 -0.447 -4.955) 6.456 8.151 ( 3.580 -19.732 -2.755) 20.242 8.258 ( 0.794 1.161 -8.177) 8.297 8.599 ( -0.453 -2.227 2.972) 3.742 8.906 ( -2.546 2.704 -2.315) 4.377 9.228 ( 0.784 5.058 -12.017) 13.061 9.663 ( 5.052 0.533 -4.871) 7.038 9.724 ( -3.460 7.401 1.950) 8.400 9.903 ( -0.467 6.923 -8.262) 10.789 10.055 ( -0.878 -0.103 6.119) 6.182 10.560 ( 1.897 -5.331 -0.541) 5.684 10.715 ( 0.343 -0.310 -4.080) 4.106 11.033 ( 1.552 -8.197 -5.544) 10.017 11.273 ( -1.532 4.639 3.335) 5.916 11.604 ( 1.106 -2.748 0.533) 3.010 11.909 ( -4.343 0.846 3.935) 5.921 12.150 ( 8.155 -2.565 -0.120) 8.550 12.319 ( -8.852 0.361 1.422) 8.973 12.592 ( 1.881 1.181 13.342) 13.525 13.163 ( 1.401 -0.657 7.203) 7.367 13.662 ( 3.878 8.170 3.517) 9.704 13.891 ( -6.713 3.254 0.105) 7.461 14.324 ( 2.669 -1.051 0.327) 2.887 14.774 ( -1.604 -5.758 4.270) 7.346 14.957 ( -0.073 -11.341 -6.088) 12.872 15.348 ( 4.843 2.428 0.978) 5.505 15.756 ( -3.313 7.305 -0.593) 8.043 16.422 ( -0.659 -6.751 -0.286) 6.790 16.832 ( 0.751 -3.541 -1.367) 3.869 17.023 ( -0.112 8.444 -8.056) 11.672 17.285 ( 1.108 -2.118 -1.393) 2.767 17.423 ( 0.640 4.739 -6.552) 8.112 17.717 ( -1.365 1.088 -14.118) 14.225 17.983 ( -0.662 5.874 -8.751) 10.560 18.575 ( -0.401 -3.511 2.237) 4.183 18.942 ( 1.314 -1.291 -2.452) 3.067 19.053 ( -0.371 1.055 -2.690) 2.913 19.363 ( -0.198 0.744 -1.531) 1.714 19.979 ( -1.236 1.547 1.181) 2.305 20.178 ( 1.231 2.072 3.237) 4.035 20.420 ( -0.426 -0.367 12.831) 12.843 21.015 ( 0.692 -6.761 13.588) 15.193 21.317 ( -0.033 -0.130 -1.048) 1.057 21.591 ( -0.384 -5.860 -8.153) 10.048 21.792 ( 0.009 -0.470 -1.779) 1.840 22.111 ( -1.069 -0.210 4.110) 4.252 22.391 ( 1.507 8.259 -11.382) 14.143 26.517 ( 0.001 0.116 -6.663) 6.664 26.842 ( -2.965 0.172 3.523) 4.608 26.963 ( 2.767 1.573 -4.155) 5.234 29.984 ( 0.225 -0.506 -4.733) 4.766 30.149 ( -0.490 1.032 7.256) 7.345 30.639 ( 0.179 -0.958 3.721) 3.847 36.356 ( 0.120 0.472 2.987) 3.027 36.713 ( -0.728 -3.380 10.620) 11.169 37.211 ( 0.264 -1.552 7.737) 7.896 37.813 ( -0.314 2.197 -5.188) 5.643 38.141 ( 1.393 -4.430 -6.274) 7.805 38.495 ( -0.256 9.989 -7.006) 12.203 39.522 ( -0.193 0.677 -0.091) 0.709 39.815 ( 0.238 -2.463 9.270) 9.595 40.623 ( -0.705 -0.669 0.071) 0.975 40.841 ( -0.624 -4.815 14.698) 15.479 42.132 ( -1.056 5.485 -7.243) 9.146 42.697 ( 1.812 -0.707 -0.030) 1.946 ======================= Grid point 212 (101/125) ======================= q-point: (-0.44 0.44 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -7.096 -20.359 31.638) 38.286 3.863 ( -23.927 6.017 22.351) 33.291 4.623 ( 5.917 -4.931 7.935) 11.058 4.726 ( 11.830 3.932 10.357) 16.207 4.977 ( -5.225 12.715 8.544) 16.185 5.745 ( -3.035 1.856 -5.172) 6.277 6.211 ( 4.656 3.864 3.607) 7.044 6.537 ( 0.892 -9.918 6.590) 11.942 6.825 ( 6.745 -0.005 3.310) 7.514 6.880 ( -6.671 -2.963 -6.456) 9.744 7.405 ( 0.954 5.523 -5.908) 8.143 7.886 ( -3.630 -1.967 -6.277) 7.512 8.438 ( 6.463 -0.130 6.417) 9.108 8.567 ( -3.237 -6.016 -3.074) 7.492 8.886 ( 0.597 1.172 -10.229) 10.313 8.963 ( -5.424 0.212 -2.055) 5.804 9.495 ( 7.625 2.449 -18.134) 19.824 9.755 ( 6.117 6.605 -12.691) 15.560 9.845 ( -1.615 6.174 0.719) 6.422 10.126 ( -2.008 -1.270 2.153) 3.206 10.469 ( 0.755 -3.426 -6.302) 7.213 10.685 ( -5.758 1.484 -0.685) 5.985 10.898 ( 6.614 -4.348 -2.197) 8.215 11.409 ( -2.121 -3.822 6.396) 7.746 11.644 ( 0.269 1.043 6.006) 6.102 11.931 ( -2.391 -1.060 3.254) 4.175 12.193 ( 7.463 -7.093 -1.134) 10.358 12.323 ( -12.168 -0.167 11.124) 16.487 12.837 ( 2.969 -1.123 8.876) 9.426 13.280 ( 2.933 -0.889 3.924) 4.979 13.656 ( -4.538 9.051 -5.561) 11.551 13.846 ( 3.617 0.011 -6.902) 7.792 14.392 ( 1.915 -2.242 -0.205) 2.956 14.668 ( 2.188 -2.431 -1.300) 3.520 14.905 ( -2.543 -11.289 6.406) 13.227 15.488 ( 12.224 -4.171 4.491) 13.674 15.721 ( -7.582 7.235 0.409) 10.488 16.305 ( -5.441 -2.066 -7.958) 9.859 16.723 ( 2.469 0.878 -16.515) 16.722 16.846 ( -3.278 6.078 -2.891) 7.486 17.227 ( 1.746 -2.909 -6.601) 7.422 17.454 ( 4.189 3.131 -7.346) 9.018 17.661 ( -2.199 8.406 7.902) 11.745 17.917 ( 0.133 7.182 -1.634) 7.366 18.520 ( -1.525 -1.856 -3.297) 4.079 18.914 ( 1.198 0.880 -2.277) 2.720 18.984 ( 0.137 1.094 -5.106) 5.223 19.354 ( -2.507 3.595 0.064) 4.383 20.028 ( 0.605 2.704 3.647) 4.580 20.325 ( 2.333 -0.465 10.200) 10.474 20.582 ( -0.937 -3.616 6.365) 7.380 21.082 ( -1.536 -9.143 0.409) 9.281 21.293 ( -0.916 -0.019 -3.116) 3.248 21.511 ( 1.678 -0.827 3.864) 4.293 21.788 ( -0.890 0.261 1.476) 1.743 22.084 ( -4.470 -1.677 -3.471) 5.903 22.303 ( 5.429 4.963 -6.840) 10.045 26.426 ( -0.402 3.115 -4.451) 5.448 26.824 ( -4.418 -0.105 0.002) 4.419 26.989 ( 4.046 1.946 0.626) 4.533 29.883 ( 0.705 2.316 -4.897) 5.463 30.347 ( -1.419 -2.491 13.363) 13.667 30.639 ( 1.155 -1.487 -3.394) 3.881 36.440 ( 0.819 0.434 5.584) 5.661 36.773 ( -0.673 -8.855 2.399) 9.198 37.385 ( 1.599 1.878 9.541) 9.855 37.726 ( -5.861 5.063 -3.831) 8.640 38.014 ( 6.837 3.518 -10.912) 13.349 38.528 ( 0.861 2.519 4.780) 5.472 39.571 ( -0.799 0.528 5.461) 5.544 39.929 ( 0.934 -2.356 4.870) 5.490 40.593 ( -1.116 0.627 -1.658) 2.095 41.009 ( -2.025 -14.183 11.729) 18.516 42.093 ( -4.440 8.159 -0.281) 9.293 42.746 ( 7.183 5.717 0.594) 9.199 ======================= Grid point 213 (102/125) ======================= q-point: (-0.33 0.44 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -15.419 -12.477 35.444) 40.616 4.229 ( -19.531 1.370 35.505) 40.545 4.781 ( 2.500 1.083 10.145) 10.504 5.029 ( 3.541 0.275 8.178) 8.916 5.308 ( 9.698 9.664 17.933) 22.562 5.518 ( -3.607 -2.700 -13.219) 13.966 6.152 ( -6.866 -3.567 -8.113) 11.211 6.496 ( -0.213 -8.972 -1.711) 9.136 6.783 ( 3.044 1.855 -2.961) 4.634 6.914 ( 7.459 0.298 0.208) 7.468 7.447 ( 13.168 4.653 -3.861) 14.490 7.859 ( -7.637 4.921 2.284) 9.368 8.232 ( -11.466 0.348 -8.151) 14.073 8.488 ( 0.753 -0.826 -11.611) 11.665 8.802 ( 5.305 1.879 -2.783) 6.278 8.980 ( 2.671 0.284 -1.946) 3.317 9.302 ( 7.328 4.563 -13.393) 15.934 9.625 ( 3.609 1.230 -8.045) 8.903 9.840 ( -1.045 1.409 -0.866) 1.956 10.071 ( -1.938 0.344 -2.974) 3.566 10.421 ( 0.259 -1.172 0.093) 1.204 10.625 ( -2.147 -0.646 1.138) 2.514 11.017 ( 5.776 2.448 2.530) 6.764 11.314 ( -8.298 -1.422 -1.353) 8.528 11.743 ( 1.213 -9.339 -3.666) 10.106 11.948 ( -3.617 -1.934 3.894) 5.656 12.252 ( 2.624 -2.644 9.936) 10.612 12.465 ( -9.357 -4.903 17.942) 20.821 12.922 ( 0.616 -1.749 1.504) 2.387 13.242 ( -4.511 -4.468 -5.847) 8.631 13.566 ( 1.133 6.172 -10.679) 12.386 13.712 ( 4.134 -0.224 -11.661) 12.374 14.344 ( -2.951 -6.142 3.690) 7.749 14.768 ( 1.856 -3.833 1.938) 4.679 14.990 ( 5.894 -1.705 9.234) 11.086 15.618 ( 8.694 -5.063 -0.716) 10.086 15.758 ( -3.874 2.335 4.997) 6.741 16.124 ( -0.878 9.456 -5.255) 10.854 16.524 ( 1.626 -2.942 -6.083) 6.950 16.799 ( -3.457 2.777 -4.219) 6.120 17.106 ( 0.825 3.433 -6.354) 7.269 17.379 ( 4.712 4.622 -10.383) 12.304 17.719 ( -3.440 2.941 1.589) 4.797 18.026 ( 4.115 8.208 1.738) 9.345 18.490 ( -0.878 0.680 2.358) 2.607 18.884 ( -0.935 2.807 -2.740) 4.032 18.930 ( 2.850 2.372 -3.063) 4.810 19.358 ( -3.294 4.275 1.155) 5.519 20.118 ( 0.730 1.099 3.240) 3.498 20.431 ( -0.586 -4.313 -1.536) 4.615 20.611 ( -1.153 -2.518 3.059) 4.126 21.027 ( -0.997 -0.169 4.746) 4.853 21.320 ( -0.362 -3.453 6.747) 7.588 21.576 ( 2.876 -4.014 -1.016) 5.041 21.814 ( -1.849 -0.587 3.060) 3.623 21.969 ( -4.149 -0.210 -3.126) 5.199 22.257 ( 3.193 2.352 -6.635) 7.730 26.398 ( 0.134 5.857 -1.688) 6.097 26.798 ( -3.511 -0.288 2.131) 4.117 27.037 ( 4.266 1.271 -1.431) 4.676 29.890 ( 0.750 2.299 3.490) 4.246 30.437 ( -2.449 -2.559 -2.906) 4.582 30.596 ( 1.793 -2.309 1.757) 3.411 36.534 ( 0.034 -1.910 4.136) 4.556 36.757 ( 1.079 -4.931 1.730) 5.336 37.516 ( 0.009 4.083 1.616) 4.391 37.648 ( -3.318 4.026 -1.491) 5.426 37.958 ( 7.209 4.691 -6.865) 11.005 38.663 ( 1.858 0.202 7.313) 7.548 39.672 ( -1.392 -0.913 6.942) 7.138 39.972 ( 1.117 -0.792 -0.036) 1.370 40.576 ( 0.870 0.555 0.101) 1.037 41.041 ( -5.479 -16.120 6.033) 18.063 42.087 ( -6.236 4.324 2.088) 7.871 42.932 ( 12.989 13.000 2.193) 18.508 ======================= Grid point 214 (103/125) ======================= q-point: (-0.22 0.44 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( -11.414 -10.470 36.695) 39.830 4.497 ( -20.134 -4.717 15.014) 25.555 4.850 ( -3.761 -4.700 -13.306) 14.604 4.963 ( 4.701 0.284 -3.092) 5.634 5.325 ( 9.552 0.934 -8.713) 12.962 5.830 ( 3.759 1.454 13.785) 14.362 6.040 ( -3.233 -3.307 7.454) 8.772 6.373 ( 1.782 -0.867 -6.401) 6.701 6.726 ( -1.466 3.043 -3.540) 4.893 7.058 ( 2.607 11.770 2.577) 12.328 7.472 ( 3.101 -8.203 0.092) 8.770 7.687 ( 3.843 8.330 -13.383) 16.226 8.242 ( -3.706 -6.122 -1.623) 7.338 8.372 ( 2.429 5.192 10.686) 12.126 8.790 ( 4.380 0.763 -4.130) 6.068 8.959 ( 6.245 12.180 -6.931) 15.342 9.212 ( 2.578 6.978 -7.773) 10.759 9.537 ( 2.134 -1.319 -7.255) 7.676 9.901 ( -0.619 -2.138 9.148) 9.415 10.045 ( -1.026 -6.153 2.694) 6.795 10.414 ( -2.400 3.417 -0.881) 4.267 10.625 ( 0.591 -4.679 0.162) 4.719 11.008 ( -2.176 7.287 -6.588) 10.062 11.285 ( -5.095 -7.694 0.503) 9.241 11.575 ( 2.201 -3.032 -2.039) 4.266 11.983 ( -2.203 -2.978 5.131) 6.328 12.414 ( -2.413 -1.210 7.720) 8.179 12.703 ( -3.283 -4.613 17.577) 18.467 12.843 ( -6.063 -4.417 -10.367) 12.796 13.040 ( -2.854 -1.917 -4.787) 5.893 13.406 ( -0.008 -0.122 -9.611) 9.611 13.583 ( 1.837 -3.394 -3.047) 4.917 14.315 ( -8.525 -7.610 1.356) 11.508 14.708 ( 1.338 -7.127 -4.083) 8.321 15.246 ( 4.771 3.809 8.369) 10.359 15.473 ( -0.577 0.982 -12.357) 12.409 15.915 ( 2.517 5.430 7.725) 9.772 16.160 ( 5.915 5.626 -2.975) 8.689 16.549 ( 0.034 -1.975 3.312) 3.856 16.744 ( 4.214 -1.010 4.874) 6.522 17.032 ( -3.891 6.932 -7.410) 10.867 17.292 ( 5.710 5.803 -4.204) 9.163 17.765 ( -0.733 2.776 3.066) 4.200 18.092 ( 5.725 5.290 -2.067) 8.065 18.544 ( 0.359 -0.551 2.266) 2.359 18.864 ( 0.540 2.948 -1.079) 3.186 18.957 ( 3.410 4.823 0.215) 5.910 19.366 ( -1.864 1.504 0.572) 2.463 20.107 ( -2.668 -3.297 -1.630) 4.543 20.362 ( 0.637 -1.275 -2.062) 2.507 20.632 ( -2.185 -0.080 3.203) 3.878 21.195 ( 0.979 -0.440 8.772) 8.837 21.414 ( -0.933 -1.265 5.660) 5.874 21.471 ( 0.309 -3.568 -8.828) 9.527 21.845 ( -1.037 -0.517 2.447) 2.708 21.907 ( -2.016 -2.190 0.750) 3.069 22.171 ( 0.157 1.820 -6.133) 6.399 26.430 ( 2.235 5.495 0.261) 5.938 26.830 ( -2.051 -0.045 4.569) 5.008 27.030 ( 3.551 1.140 -4.327) 5.712 30.024 ( -0.857 0.902 9.860) 9.939 30.268 ( 1.168 -0.395 -11.634) 11.700 30.632 ( -1.636 -3.291 1.945) 4.158 36.543 ( -0.809 -4.560 0.008) 4.631 36.798 ( 0.326 2.012 1.656) 2.627 37.533 ( 0.379 3.931 -0.101) 3.950 37.656 ( 1.030 1.318 1.138) 2.023 37.954 ( 4.312 3.715 -3.042) 6.454 38.769 ( 2.249 0.632 1.264) 2.656 39.753 ( -1.885 -2.604 5.096) 6.025 39.940 ( 0.254 1.280 -4.050) 4.255 40.616 ( 2.097 -0.449 1.629) 2.693 40.934 ( -9.090 -12.170 0.145) 15.191 42.126 ( -1.895 0.917 5.649) 6.029 43.150 ( 12.954 14.280 -1.994) 19.383 ======================= Grid point 219 (104/125) ======================= q-point: ( 0.33 -0.44 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 16.590 -34.862 7.612) 39.351 3.397 ( 38.062 4.433 0.725) 38.326 4.307 ( 1.973 -7.511 14.384) 16.346 4.597 ( -0.615 -2.344 2.975) 3.837 5.037 ( 4.601 16.642 3.006) 17.526 5.764 ( -10.908 3.354 -4.814) 12.386 6.048 ( -2.302 -3.250 3.442) 5.264 6.616 ( -0.475 5.068 8.791) 10.158 6.660 ( -3.533 -5.422 3.507) 7.361 6.901 ( -6.755 4.482 13.005) 15.325 7.486 ( 7.418 6.583 -3.303) 10.453 8.152 ( -1.272 -16.015 -5.734) 17.058 8.299 ( -3.258 3.417 -12.657) 13.509 8.632 ( -4.057 -2.479 3.094) 5.673 8.930 ( 1.028 0.990 -1.701) 2.220 9.161 ( 4.733 4.729 -10.221) 12.216 9.604 ( -2.508 3.302 5.902) 7.213 9.818 ( -4.537 1.496 -4.666) 6.677 10.021 ( -3.035 2.517 -1.929) 4.390 10.131 ( -11.788 5.268 -2.984) 13.252 10.465 ( 6.797 -7.214 -0.556) 9.927 10.712 ( -0.258 2.703 -6.093) 6.671 10.989 ( 4.426 -7.872 -1.091) 9.097 11.269 ( 0.161 3.634 5.073) 6.242 11.551 ( 3.581 -3.929 -5.936) 7.968 11.910 ( 6.687 -1.516 3.787) 7.834 12.070 ( -3.162 2.833 -5.446) 6.905 12.519 ( -10.394 -6.597 10.300) 16.052 12.607 ( -2.113 10.474 7.867) 13.268 13.217 ( -6.912 -3.854 6.390) 10.172 13.514 ( 8.422 4.950 3.681) 10.440 13.988 ( -0.012 7.165 3.303) 7.889 14.344 ( -4.814 -4.676 -3.125) 7.403 14.799 ( 0.503 -5.822 -4.760) 7.537 14.920 ( 1.791 -2.606 8.301) 8.883 15.346 ( -4.394 -2.758 -4.884) 7.125 15.794 ( -0.578 7.621 1.774) 7.846 16.381 ( 4.621 -4.408 0.052) 6.386 16.695 ( 9.401 -2.286 -8.884) 13.135 17.068 ( -1.044 0.877 1.081) 1.740 17.322 ( -4.128 -0.416 2.050) 4.628 17.469 ( -5.688 3.221 -10.176) 12.095 17.674 ( 5.091 3.310 -10.524) 12.151 18.011 ( -1.429 4.591 -8.979) 10.185 18.549 ( 3.129 -2.867 2.442) 4.897 18.911 ( 1.252 -2.257 -3.335) 4.217 19.072 ( -1.323 0.963 -2.065) 2.635 19.352 ( 1.090 1.141 -2.131) 2.651 20.000 ( -0.563 2.866 1.471) 3.270 20.185 ( -1.943 -0.387 4.178) 4.624 20.439 ( -1.615 1.211 10.680) 10.869 20.963 ( 4.078 -6.388 11.205) 13.527 21.339 ( -1.769 -0.258 -1.686) 2.457 21.553 ( 3.453 -3.602 -4.116) 6.468 21.789 ( 0.325 0.138 -2.016) 2.047 22.106 ( 2.360 -1.420 2.285) 3.579 22.444 ( -6.930 6.261 -12.045) 15.241 26.516 ( 0.142 0.254 -6.248) 6.254 26.830 ( 4.550 2.766 0.140) 5.326 26.952 ( -1.996 -2.041 -0.081) 2.856 29.953 ( 2.386 -0.993 0.615) 2.657 30.188 ( -3.000 1.959 1.688) 3.960 30.644 ( -0.752 -0.773 3.884) 4.031 36.366 ( -1.225 0.519 2.574) 2.897 36.736 ( -1.201 -1.358 10.834) 10.985 37.215 ( -0.644 -1.437 8.181) 8.331 37.739 ( 6.146 0.591 -5.100) 8.008 38.160 ( -1.806 -4.046 -2.567) 5.121 38.536 ( -3.977 8.013 -9.484) 13.038 39.520 ( 0.388 0.689 0.077) 0.794 39.813 ( -0.004 -2.188 8.693) 8.964 40.609 ( 1.618 0.125 2.085) 2.642 40.872 ( -1.709 -2.109 11.191) 11.516 42.135 ( 1.285 4.965 -6.187) 8.036 42.685 ( -1.416 -2.472 1.480) 3.210 ======================= Grid point 220 (105/125) ======================= q-point: ( 0.44 -0.44 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 8.425 -19.952 33.253) 39.684 3.929 ( 22.092 6.593 20.253) 30.688 4.510 ( -6.068 -0.912 17.571) 18.611 4.661 ( 0.458 -0.858 6.128) 6.204 5.101 ( -6.258 11.264 -1.919) 13.028 5.799 ( 0.314 6.564 4.600) 8.022 6.043 ( 6.618 -6.783 0.632) 9.497 6.591 ( -4.969 -5.084 0.335) 7.117 6.778 ( -2.512 1.611 5.929) 6.637 7.060 ( -8.340 1.574 2.080) 8.738 7.366 ( 2.827 0.804 -15.119) 15.402 7.931 ( -0.354 1.148 -4.909) 5.054 8.288 ( 4.868 -2.897 7.847) 9.678 8.605 ( 0.910 -3.369 -4.561) 5.743 8.883 ( 0.651 0.068 -11.153) 11.172 9.077 ( -4.012 2.429 2.220) 5.189 9.434 ( -3.759 -1.157 -17.906) 18.332 9.704 ( -1.005 6.562 -11.940) 13.661 9.915 ( -4.540 9.661 -0.696) 10.697 10.148 ( 0.114 -2.093 2.037) 2.923 10.493 ( -4.298 -2.098 -5.305) 7.142 10.594 ( 10.692 -2.692 2.676) 11.346 10.904 ( -3.636 -3.164 -6.829) 8.359 11.430 ( 1.685 -6.838 5.111) 8.702 11.559 ( 6.200 0.629 6.103) 8.723 11.981 ( -0.472 -4.090 3.806) 5.607 12.048 ( 4.822 -0.213 1.012) 4.931 12.564 ( -10.329 -2.183 9.204) 14.006 12.800 ( 0.706 0.620 9.240) 9.288 13.257 ( -0.887 1.015 5.440) 5.605 13.580 ( 7.002 3.257 -6.832) 10.311 13.949 ( -8.258 5.743 -9.424) 13.784 14.323 ( 4.512 -5.534 2.404) 7.534 14.640 ( -1.220 -3.570 -3.247) 4.978 15.021 ( -6.789 -11.521 8.844) 16.032 15.294 ( 6.226 -2.771 1.111) 6.905 15.836 ( -3.915 7.502 1.236) 8.552 16.369 ( 0.424 -3.975 -3.899) 5.584 16.576 ( 7.196 4.216 -14.593) 16.808 16.940 ( -1.525 3.752 -10.002) 10.791 17.236 ( -2.677 -2.236 -4.205) 5.463 17.419 ( -2.270 4.463 -3.599) 6.166 17.715 ( -2.325 9.245 8.200) 12.574 17.915 ( 0.316 7.146 -4.877) 8.658 18.520 ( 1.357 -1.813 -4.119) 4.700 18.870 ( 2.355 -1.319 -2.263) 3.522 19.008 ( -1.839 2.371 -4.287) 5.233 19.367 ( 1.212 4.057 -0.279) 4.244 20.034 ( -1.197 3.360 2.171) 4.176 20.299 ( 0.190 -2.750 10.488) 10.844 20.592 ( -0.109 -2.441 6.496) 6.940 21.049 ( 4.156 -10.037 -0.534) 10.877 21.309 ( -0.342 0.435 0.427) 0.699 21.515 ( -1.809 -1.458 1.535) 2.785 21.798 ( -0.033 1.007 2.362) 2.568 22.139 ( 2.757 -1.771 -1.982) 3.829 22.235 ( -2.627 4.385 -8.574) 9.982 26.431 ( 0.010 3.269 -4.622) 5.661 26.858 ( 3.445 1.597 -2.655) 4.633 26.953 ( -2.955 0.241 3.240) 4.392 29.882 ( -0.605 2.243 -4.798) 5.331 30.355 ( 0.734 -2.028 13.170) 13.345 30.635 ( -0.830 -1.706 -3.335) 3.837 36.429 ( 0.171 -0.224 5.173) 5.181 36.806 ( -2.443 -7.740 2.667) 8.543 37.365 ( 0.515 1.974 8.668) 8.905 37.747 ( 4.668 5.736 -2.449) 7.791 37.991 ( -5.762 2.481 -10.184) 11.961 38.512 ( 0.728 1.394 3.763) 4.079 39.580 ( -0.035 1.065 5.602) 5.702 39.912 ( 0.662 -3.414 4.347) 5.567 40.614 ( -0.772 2.278 -1.642) 2.913 41.027 ( 0.376 -13.619 10.928) 17.465 42.161 ( -1.091 12.326 2.460) 12.616 42.664 ( -0.459 0.859 -1.063) 1.442 ======================= Grid point 221 (106/125) ======================= q-point: (-0.44 0.56 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( -2.557 -13.613 37.395) 39.878 4.488 ( -0.382 5.558 25.985) 26.575 4.728 ( 1.510 -2.510 10.060) 10.478 4.902 ( 2.129 9.141 13.688) 16.597 5.139 ( 5.790 1.011 7.976) 9.908 5.680 ( -8.564 -5.313 -9.937) 14.153 6.203 ( 8.562 0.910 1.734) 8.783 6.477 ( -2.568 -11.042 -9.753) 14.955 6.755 ( -6.025 -6.135 2.793) 9.041 6.870 ( -0.576 4.112 -1.981) 4.600 7.295 ( 1.713 10.980 -6.997) 13.133 7.957 ( -2.351 6.798 3.589) 8.039 8.354 ( 4.832 -0.446 -21.158) 21.708 8.477 ( -1.584 2.092 0.521) 2.675 8.702 ( 1.247 4.239 -5.476) 7.036 9.040 ( -7.887 -2.225 -8.460) 11.778 9.172 ( 5.301 -0.058 -5.444) 7.599 9.554 ( 2.918 2.650 -8.423) 9.300 9.904 ( -4.753 4.313 1.135) 6.517 10.112 ( -1.361 1.675 -4.267) 4.781 10.402 ( 0.390 -2.072 0.336) 2.135 10.722 ( -5.553 0.859 -0.570) 5.648 10.846 ( 9.401 -3.272 5.270) 11.263 11.375 ( 4.344 -7.238 -3.252) 9.046 11.739 ( -1.692 -5.332 3.586) 6.645 12.020 ( -3.342 -2.559 4.381) 6.076 12.167 ( 4.715 -4.091 11.274) 12.886 12.624 ( -5.482 -4.314 10.416) 12.536 12.916 ( 0.576 -1.352 3.936) 4.202 13.313 ( -2.364 -1.044 -3.762) 4.564 13.472 ( 5.045 1.180 -13.751) 14.694 13.736 ( -4.039 5.054 -6.060) 8.865 14.326 ( 2.939 -6.422 0.452) 7.077 14.710 ( 2.618 0.331 7.543) 7.991 15.004 ( -4.694 -13.215 5.936) 15.228 15.418 ( 8.028 -4.261 4.822) 10.289 15.869 ( -4.717 4.811 3.699) 7.687 16.172 ( -2.990 8.559 -15.156) 17.660 16.476 ( 1.907 -0.783 -3.181) 3.791 16.828 ( 1.772 2.912 -5.717) 6.656 17.131 ( -4.237 1.945 -4.342) 6.371 17.315 ( 1.264 8.158 -10.230) 13.145 17.792 ( -3.356 3.873 -0.160) 5.127 17.970 ( 2.017 9.482 1.547) 9.817 18.492 ( 0.460 0.934 0.818) 1.324 18.859 ( 2.636 0.795 -1.533) 3.152 18.932 ( -2.252 4.058 -4.101) 6.193 19.393 ( 0.003 4.970 -0.600) 5.006 20.101 ( 0.629 1.708 3.766) 4.182 20.415 ( 2.058 -6.741 0.846) 7.099 20.635 ( -1.472 -1.586 3.188) 3.853 21.043 ( 0.353 -2.249 4.765) 5.281 21.338 ( -1.559 -2.836 5.680) 6.538 21.527 ( 1.512 -4.413 -0.520) 4.694 21.849 ( -1.659 0.692 3.044) 3.535 22.049 ( -3.423 0.503 -4.443) 5.631 22.173 ( 4.693 0.487 -4.824) 6.748 26.397 ( 0.090 6.410 -2.725) 6.965 26.858 ( -1.255 1.277 0.912) 2.009 26.970 ( 1.167 0.120 -0.729) 1.381 29.883 ( 0.014 2.478 4.138) 4.823 30.467 ( 0.033 -2.363 -7.594) 7.953 30.575 ( -0.168 -3.042 6.553) 7.226 36.527 ( 0.950 -2.093 5.393) 5.863 36.759 ( -1.615 -6.187 0.727) 6.435 37.497 ( 1.173 2.733 3.096) 4.293 37.766 ( -5.305 7.396 -5.132) 10.449 37.819 ( 4.139 6.099 -5.012) 8.913 38.633 ( 1.490 -2.375 8.080) 8.552 39.696 ( -0.852 -0.299 7.417) 7.472 39.941 ( 1.629 -2.893 0.024) 3.320 40.586 ( -1.429 3.062 -1.435) 3.671 41.093 ( 0.075 -19.270 7.573) 20.704 42.231 ( -6.865 7.621 1.126) 10.319 42.726 ( 6.546 12.201 2.022) 13.993 ======================= Grid point 223 (107/125) ======================= q-point: (-0.33 0.56 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.190 ( -9.688 -12.366 31.311) 35.031 4.712 ( -3.059 -4.665 -4.412) 7.113 4.846 ( 2.692 -2.042 -4.534) 5.655 5.034 ( 5.708 -8.608 -2.043) 10.529 5.164 ( -6.219 5.377 -2.093) 8.484 5.787 ( -0.448 5.834 24.180) 24.878 6.108 ( 0.044 -6.971 -6.024) 9.213 6.293 ( 1.491 -3.558 -4.493) 5.921 6.757 ( -1.463 0.178 0.162) 1.482 7.078 ( 2.496 3.904 12.814) 13.626 7.170 ( 9.355 5.720 -12.144) 16.362 7.888 ( -12.602 12.202 -9.226) 19.819 8.187 ( 8.150 -0.693 -5.083) 9.630 8.399 ( -4.128 2.127 1.145) 4.783 8.732 ( 4.071 3.815 -2.145) 5.977 8.859 ( 0.906 14.138 -7.698) 16.123 9.147 ( 3.528 -1.469 -3.167) 4.964 9.493 ( 1.721 -2.900 -2.533) 4.217 9.938 ( -3.898 0.168 3.919) 5.530 10.087 ( -0.403 3.536 3.216) 4.796 10.415 ( 1.042 -1.435 0.449) 1.829 10.673 ( -6.084 -4.277 0.967) 7.500 10.919 ( 8.639 -1.111 -4.013) 9.590 11.422 ( -1.670 -5.743 2.488) 6.478 11.567 ( -3.677 -5.554 -5.292) 8.508 12.040 ( -3.034 -2.812 2.862) 5.030 12.439 ( -1.082 -3.103 16.755) 17.074 12.713 ( 2.382 -6.395 0.434) 6.838 12.941 ( -1.442 -2.442 0.957) 2.994 13.068 ( -1.441 -3.650 -11.113) 11.785 13.356 ( 1.249 0.059 -5.128) 5.278 13.633 ( -4.459 -2.759 -2.723) 5.909 14.374 ( 2.633 -2.102 1.740) 3.792 14.737 ( -4.185 -11.058 1.101) 11.874 15.153 ( 4.503 1.270 13.365) 14.160 15.451 ( 2.713 -0.888 -6.586) 7.178 15.924 ( -3.690 6.001 3.878) 8.042 16.039 ( 5.240 5.641 -4.121) 8.733 16.503 ( 1.745 -2.166 5.392) 6.067 16.766 ( -3.170 2.563 -2.959) 5.037 17.054 ( 0.671 6.958 -7.834) 10.500 17.228 ( 1.655 10.399 -4.119) 11.307 17.784 ( -0.568 1.501 0.602) 1.714 18.021 ( 1.354 7.694 -2.314) 8.148 18.535 ( 0.211 1.114 1.543) 1.915 18.873 ( -0.212 3.895 -2.751) 4.773 18.892 ( 1.878 3.504 0.553) 4.014 19.389 ( -0.500 2.517 -2.384) 3.503 20.138 ( -0.464 -4.660 0.188) 4.687 20.363 ( -0.064 -0.263 -1.824) 1.844 20.652 ( -0.256 0.267 0.916) 0.988 21.218 ( -2.368 -1.639 13.554) 13.857 21.394 ( 0.945 -4.750 0.140) 4.845 21.462 ( 1.366 -3.452 -2.595) 4.529 21.862 ( -0.912 0.061 -0.412) 1.003 21.967 ( -3.487 -1.704 -0.200) 3.886 22.136 ( 3.187 1.384 -4.290) 5.520 26.400 ( 0.869 6.996 -2.174) 7.377 26.875 ( -2.389 0.113 1.791) 2.988 26.966 ( 2.834 1.174 -1.217) 3.300 30.035 ( -0.310 1.450 11.198) 11.295 30.253 ( 0.394 -0.948 -13.359) 13.398 30.654 ( -0.632 -3.890 3.529) 5.290 36.569 ( -1.423 -5.161 1.833) 5.659 36.775 ( 1.677 0.649 2.597) 3.159 37.511 ( 0.284 1.534 -2.723) 3.138 37.679 ( -1.676 5.272 -2.225) 5.963 37.873 ( 3.294 6.733 0.045) 7.496 38.747 ( 0.666 -0.900 3.974) 4.128 39.793 ( -1.945 -2.423 6.204) 6.939 39.914 ( 1.978 -1.218 -3.966) 4.597 40.590 ( 0.047 3.022 0.759) 3.117 41.066 ( -3.302 -18.495 3.155) 19.050 42.189 ( -4.099 2.290 -0.737) 4.753 42.938 ( 7.853 18.374 2.027) 20.085 ======================= Grid point 224 (108/125) ======================= q-point: (-0.22 -0.44 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 1.025 -15.427 -39.456) 42.377 4.375 ( 1.049 -19.885 -3.230) 20.173 4.795 ( -1.255 -0.514 5.068) 5.246 4.967 ( -5.222 5.476 -6.005) 9.660 5.359 ( -3.279 5.471 19.107) 20.144 5.663 ( -0.748 -6.351 -19.431) 20.456 6.079 ( 0.981 0.660 -13.113) 13.166 6.506 ( 2.475 3.197 24.737) 25.065 6.759 ( 0.686 -0.440 -6.672) 6.721 6.986 ( 2.236 8.181 0.447) 8.492 7.479 ( 6.076 0.163 3.365) 6.948 7.800 ( -9.098 7.788 13.198) 17.822 8.124 ( 0.419 1.056 -4.820) 4.952 8.462 ( 9.399 -2.222 -5.496) 11.112 8.764 ( -1.802 9.510 6.119) 11.451 8.982 ( 2.972 6.966 6.850) 10.212 9.149 ( 3.548 2.999 2.076) 5.089 9.469 ( -2.581 -0.685 2.155) 3.431 9.938 ( 1.357 -1.303 -0.498) 1.946 10.208 ( -5.752 0.296 7.947) 9.815 10.410 ( 6.057 3.681 -4.164) 8.220 10.583 ( -4.991 -8.416 1.278) 9.868 10.954 ( 6.214 2.630 -1.533) 6.920 11.110 ( -7.786 -7.465 -12.638) 16.615 11.692 ( -0.068 -1.088 9.698) 9.759 12.033 ( -0.462 -2.659 0.634) 2.772 12.440 ( -1.478 -3.305 -20.992) 21.302 12.623 ( -6.164 -3.108 3.510) 7.744 12.839 ( 0.653 -8.326 -2.333) 8.671 13.122 ( 3.791 -0.685 10.374) 11.067 13.344 ( -1.456 -0.932 3.974) 4.334 13.584 ( -2.698 -7.995 5.238) 9.932 14.336 ( -3.931 -3.315 -2.470) 5.705 14.674 ( -6.242 -5.463 2.936) 8.800 15.267 ( -1.620 10.494 -10.940) 15.246 15.426 ( -0.022 -2.351 7.877) 8.220 15.924 ( 3.691 2.831 -3.063) 5.570 16.186 ( 2.663 6.872 4.871) 8.834 16.558 ( -0.410 2.044 -2.719) 3.426 16.809 ( 2.863 -1.225 3.056) 4.363 16.921 ( 4.021 1.858 -0.881) 4.516 17.370 ( 1.554 10.202 7.929) 13.013 17.811 ( 1.156 0.519 1.033) 1.635 18.052 ( 3.303 7.187 -0.623) 7.934 18.530 ( 0.358 -0.708 -2.715) 2.828 18.849 ( 0.320 2.916 -1.871) 3.480 18.979 ( 3.952 5.252 2.633) 7.080 19.349 ( 1.567 -1.887 -1.682) 2.974 20.100 ( -1.701 -3.200 0.693) 3.690 20.330 ( -1.909 -1.109 -1.790) 2.843 20.681 ( 0.933 0.429 0.395) 1.100 21.213 ( -0.462 0.331 -9.668) 9.685 21.341 ( -1.921 -6.114 -0.766) 6.455 21.506 ( -2.016 1.747 4.286) 5.049 21.864 ( 2.526 -3.112 1.680) 4.346 21.946 ( -0.837 -0.965 0.453) 1.355 22.119 ( -0.890 1.011 1.060) 1.714 26.420 ( 3.378 4.279 -1.091) 5.560 26.848 ( 1.637 -1.604 -3.437) 4.131 27.020 ( -1.215 3.784 3.841) 5.527 30.026 ( 1.288 -0.223 -9.999) 10.084 30.261 ( -1.100 0.574 11.359) 11.426 30.638 ( -1.891 -2.846 -1.324) 3.665 36.525 ( -2.602 -3.456 -1.335) 4.527 36.831 ( -0.258 2.614 0.552) 2.684 37.494 ( 4.980 0.537 -1.846) 5.338 37.691 ( 0.249 1.913 1.189) 2.267 37.957 ( 1.142 6.334 3.402) 7.280 38.744 ( -1.611 1.917 -4.374) 5.040 39.816 ( -2.379 -1.371 -2.802) 3.923 39.860 ( 1.471 -1.164 -0.183) 1.885 40.627 ( 0.574 0.055 1.116) 1.256 40.946 ( -7.100 -11.342 -0.070) 13.382 42.186 ( 2.835 -2.243 0.931) 3.733 43.096 ( 4.947 18.964 -3.877) 19.978 ======================= Grid point 229 (109/125) ======================= q-point: ( 0.33 -0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 22.481 -17.253 32.938) 43.451 3.394 ( 27.973 1.019 34.200) 44.195 4.546 ( 3.793 -5.528 18.268) 19.460 4.709 ( -4.242 -1.174 12.206) 12.976 5.153 ( 2.403 7.210 4.269) 8.717 5.744 ( -0.184 2.325 -3.517) 4.221 6.109 ( -9.714 -3.865 -3.854) 11.142 6.585 ( 5.998 -1.698 -1.258) 6.359 6.843 ( 0.949 2.228 9.350) 9.659 7.218 ( -9.799 6.304 -0.983) 11.693 7.328 ( -1.575 -1.465 -0.939) 2.347 7.896 ( 3.774 1.785 -7.766) 8.817 8.252 ( 1.075 -2.839 -5.058) 5.899 8.606 ( -1.984 -3.340 -9.988) 10.717 8.878 ( -1.587 -1.083 -2.493) 3.148 9.087 ( 1.386 7.106 2.455) 7.645 9.608 ( -9.971 -3.588 -14.181) 17.703 9.753 ( -3.035 3.125 -9.796) 10.721 9.964 ( -0.518 7.469 -5.701) 9.410 10.196 ( -6.606 1.095 -1.694) 6.907 10.424 ( 5.408 0.661 -0.458) 5.468 10.609 ( -5.039 0.542 -3.613) 6.224 10.915 ( 2.609 -2.963 1.804) 4.341 11.295 ( 7.645 -9.211 -11.760) 16.780 11.528 ( -0.950 -1.515 20.278) 20.357 11.882 ( 5.682 -1.895 3.154) 6.769 12.056 ( -0.867 0.726 -1.355) 1.765 12.717 ( -5.322 -1.893 3.318) 6.551 12.767 ( 2.821 4.985 3.504) 6.715 13.289 ( 0.198 -4.460 0.483) 4.491 13.499 ( -0.458 3.222 -1.164) 3.456 14.045 ( -1.208 3.325 -9.598) 10.230 14.220 ( 6.180 -9.943 1.127) 11.761 14.758 ( -9.820 3.424 3.774) 11.064 15.045 ( 2.332 -1.719 -2.044) 3.546 15.340 ( -8.999 -8.069 10.046) 15.717 15.883 ( -1.661 6.416 1.401) 6.774 16.271 ( 7.182 1.736 -6.617) 9.918 16.491 ( 3.537 -1.168 -2.659) 4.577 16.937 ( 0.161 0.663 -12.755) 12.773 17.256 ( 0.715 -1.412 -8.281) 8.431 17.514 ( -3.521 4.762 1.068) 6.018 17.789 ( -7.579 7.479 12.590) 16.489 17.898 ( 1.394 5.200 -7.838) 9.509 18.472 ( 3.564 -1.776 -3.383) 5.225 18.843 ( 0.123 -2.124 -1.778) 2.772 19.042 ( -1.469 2.251 -3.488) 4.403 19.319 ( 3.260 3.540 -1.404) 5.014 20.063 ( -1.393 2.721 2.921) 4.228 20.312 ( -1.229 -4.396 7.286) 8.598 20.584 ( 1.054 -0.733 4.733) 4.904 20.965 ( 3.453 -6.415 1.352) 7.410 21.300 ( 1.296 0.147 -0.560) 1.420 21.565 ( -3.014 -2.021 4.420) 5.719 21.783 ( 1.586 1.474 2.020) 2.961 22.027 ( 6.424 -0.810 -4.524) 7.898 22.350 ( -6.611 1.578 -9.197) 11.436 26.426 ( 0.326 2.620 -4.617) 5.319 26.765 ( 4.922 0.239 -0.347) 4.940 27.031 ( -3.891 0.269 3.672) 5.357 29.908 ( -2.058 2.057 -4.141) 5.061 30.323 ( 2.215 -1.530 10.134) 10.485 30.665 ( -2.026 -0.667 -2.094) 2.989 36.439 ( -1.292 -0.601 4.039) 4.283 36.843 ( -0.568 -2.631 2.652) 3.779 37.359 ( 0.170 0.840 5.328) 5.397 37.669 ( 1.607 3.264 1.134) 3.811 38.121 ( -5.558 0.427 -4.851) 7.390 38.524 ( -3.091 2.141 1.627) 4.096 39.573 ( 0.688 1.375 5.538) 5.748 39.905 ( -0.009 -3.445 3.743) 5.087 40.622 ( 0.020 1.756 0.292) 1.780 40.989 ( 3.451 -6.526 5.544) 9.233 42.095 ( 7.222 7.227 0.395) 10.225 42.807 ( -13.604 1.260 6.350) 15.066 ======================= Grid point 230 (110/125) ======================= q-point: ( 0.44 -0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( 14.570 -10.731 40.905) 44.728 4.225 ( 19.765 2.191 30.854) 36.707 4.741 ( -1.433 -1.133 9.345) 9.522 4.987 ( -1.807 -1.106 7.822) 8.104 5.122 ( -7.507 4.639 9.840) 13.217 5.800 ( -1.941 -7.795 -17.920) 19.637 5.925 ( 10.333 2.643 9.606) 14.353 6.602 ( -4.236 0.533 0.510) 4.300 6.873 ( -0.630 6.477 -11.763) 13.443 6.941 ( -9.071 -7.802 -3.675) 12.516 7.383 ( -9.563 3.328 2.682) 10.475 7.954 ( 2.562 7.338 4.330) 8.897 8.187 ( 9.148 -0.913 -15.644) 18.145 8.434 ( 3.152 1.578 -1.228) 3.733 8.780 ( -5.966 2.041 -5.770) 8.547 9.100 ( 0.286 3.448 -9.664) 10.265 9.239 ( -9.255 -1.725 -10.240) 13.910 9.537 ( -1.608 -0.499 -7.735) 7.916 9.950 ( 1.388 8.547 -2.999) 9.163 10.167 ( -5.597 0.712 1.574) 5.857 10.404 ( 1.549 -0.681 -3.187) 3.608 10.642 ( 4.300 -2.886 6.427) 8.254 10.884 ( -6.068 -0.122 0.362) 6.080 11.180 ( 12.924 -8.963 -6.056) 16.854 11.787 ( -1.827 -4.328 5.573) 7.289 12.037 ( 2.937 -2.847 7.099) 8.193 12.095 ( 1.710 -1.028 12.475) 12.634 12.692 ( -2.732 -8.844 1.753) 9.421 12.858 ( 6.109 1.058 2.546) 6.703 13.321 ( 3.215 2.373 -3.524) 5.327 13.424 ( -1.339 0.453 -7.640) 7.769 13.788 ( 0.179 -0.995 -11.834) 11.877 14.284 ( 0.706 -3.496 3.041) 4.687 14.746 ( -5.809 -3.867 4.026) 8.057 15.034 ( 0.812 -4.881 2.751) 5.662 15.418 ( -7.238 -6.576 10.040) 14.015 15.901 ( 0.896 5.224 -1.554) 5.524 16.203 ( 0.068 7.099 -8.831) 11.331 16.481 ( -2.119 0.183 1.349) 2.519 16.782 ( 1.674 1.773 -5.414) 5.938 17.136 ( 4.143 4.624 -9.534) 11.377 17.406 ( -8.986 5.359 -8.858) 13.709 17.831 ( -0.055 1.824 -2.135) 2.809 17.954 ( -1.610 10.566 3.178) 11.150 18.476 ( 1.238 0.395 2.291) 2.633 18.824 ( 0.680 0.199 -0.600) 0.928 18.979 ( -2.395 4.622 -3.739) 6.409 19.359 ( 3.145 3.707 -0.439) 4.881 20.104 ( -0.931 0.939 2.332) 2.681 20.364 ( 2.940 -7.187 0.430) 7.777 20.656 ( -0.066 -0.580 3.627) 3.674 21.022 ( 0.777 -1.267 7.675) 7.818 21.348 ( 1.189 -1.905 4.022) 4.606 21.542 ( -3.093 -5.219 -0.825) 6.123 21.869 ( 0.150 1.608 3.900) 4.221 22.008 ( 6.384 1.845 -4.884) 8.248 22.174 ( -3.993 -1.577 -5.691) 7.128 26.394 ( 0.147 5.464 -2.309) 5.933 26.820 ( 3.538 0.767 1.809) 4.047 27.019 ( -4.510 0.554 -0.723) 4.601 29.890 ( -0.755 2.293 3.580) 4.318 30.436 ( 2.518 -2.657 -3.932) 5.372 30.602 ( -1.988 -2.013 2.505) 3.779 36.505 ( 0.900 -2.526 4.524) 5.259 36.813 ( -3.255 -4.440 0.008) 5.505 37.461 ( 2.759 4.922 2.411) 6.136 37.707 ( 2.290 4.166 -1.580) 5.009 37.950 ( -8.548 5.207 -6.554) 11.964 38.615 ( -0.306 -2.350 8.532) 8.855 39.702 ( 0.208 0.685 7.560) 7.594 39.916 ( 1.017 -3.750 -0.327) 3.900 40.618 ( -1.631 3.259 -1.070) 3.798 41.047 ( 4.377 -15.650 4.421) 16.841 42.236 ( 6.494 7.328 0.186) 9.793 42.790 ( -13.101 9.440 5.577) 17.084 ======================= Grid point 231 (111/125) ======================= q-point: ( 0.56 -0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.296 ( 0.920 -12.171 33.958) 36.085 4.653 ( 10.312 -8.910 -17.155) 21.909 4.830 ( 2.649 -0.657 6.241) 6.812 4.858 ( -0.292 0.395 1.843) 1.908 5.292 ( -2.274 -1.188 -5.458) 6.031 5.777 ( 4.590 -1.504 29.181) 29.578 6.093 ( -0.480 4.048 -8.587) 9.505 6.373 ( -8.270 -3.154 -7.630) 11.686 6.745 ( 1.244 -4.014 -3.887) 5.724 6.941 ( 0.956 2.312 5.103) 5.683 7.320 ( -13.745 9.444 0.974) 16.705 7.866 ( 13.034 5.260 -21.519) 25.702 8.121 ( -1.337 3.510 8.231) 9.048 8.532 ( -6.348 6.026 -3.703) 9.504 8.634 ( 2.195 6.785 -2.485) 7.552 8.904 ( -3.180 9.166 -9.317) 13.451 9.119 ( -1.188 -3.150 -0.335) 3.383 9.471 ( 0.728 -2.380 1.213) 2.769 9.990 ( 1.852 4.220 -0.609) 4.648 10.098 ( -4.878 1.036 -0.649) 5.029 10.409 ( -0.274 -1.812 0.741) 1.977 10.731 ( 9.692 -5.379 -2.015) 11.267 10.832 ( -8.982 -1.624 2.993) 9.606 11.302 ( 11.038 -6.102 9.267) 15.651 11.668 ( -3.722 -4.015 -9.388) 10.868 12.071 ( 0.532 -2.206 -0.016) 2.269 12.449 ( 0.024 -4.753 20.915) 21.448 12.647 ( 2.791 -6.899 -2.254) 7.776 12.941 ( 1.631 -1.260 -0.671) 2.167 13.102 ( -1.956 -3.866 -10.963) 11.788 13.355 ( 0.128 0.313 -3.045) 3.064 13.669 ( 1.793 -2.225 -5.404) 6.114 14.331 ( 0.219 -2.105 3.978) 4.506 14.745 ( 4.035 -11.903 2.589) 12.832 15.131 ( -3.487 0.805 11.438) 11.984 15.426 ( -0.662 -1.757 -1.584) 2.456 15.926 ( 1.816 7.029 -1.690) 7.454 16.081 ( -6.585 4.908 -2.750) 8.662 16.507 ( -1.853 -0.188 3.273) 3.766 16.802 ( -1.066 2.295 3.889) 4.640 17.028 ( 4.866 9.767 -14.003) 17.753 17.228 ( -4.260 7.129 -4.351) 9.375 17.794 ( -0.948 0.023 -2.282) 2.471 18.018 ( -0.347 9.253 -0.205) 9.262 18.538 ( -0.180 1.811 2.208) 2.861 18.836 ( 1.154 2.164 0.063) 2.454 18.926 ( -2.700 4.901 -2.421) 6.097 19.383 ( 1.061 2.199 -1.779) 3.021 20.130 ( 1.155 -4.552 1.004) 4.803 20.348 ( 1.391 -0.756 -0.104) 1.586 20.665 ( -1.195 0.065 -1.187) 1.686 21.228 ( 1.284 -1.399 13.428) 13.562 21.411 ( 2.018 -5.996 -1.354) 6.470 21.436 ( -3.040 -2.010 -0.206) 3.651 21.884 ( -1.133 1.090 -2.465) 2.924 21.995 ( 2.449 -1.277 -3.250) 4.265 22.089 ( -0.369 -0.072 0.278) 0.467 26.396 ( -0.502 6.874 -1.793) 7.122 26.890 ( 1.690 0.404 0.204) 1.750 26.954 ( -2.422 0.989 0.067) 2.617 30.036 ( 0.214 1.485 11.258) 11.358 30.251 ( -0.149 -1.022 -13.231) 13.272 30.656 ( 0.408 -3.831 3.242) 5.035 36.568 ( 1.899 -4.481 2.992) 5.713 36.774 ( -2.248 -0.558 0.839) 2.464 37.517 ( 0.032 3.036 -0.980) 3.190 37.686 ( 0.649 4.459 -4.738) 6.539 37.869 ( -3.148 6.892 0.666) 7.606 38.733 ( 0.607 -1.452 5.451) 5.674 39.815 ( -0.247 -2.650 5.211) 5.851 39.884 ( 0.975 -1.182 -2.078) 2.582 40.606 ( -1.414 4.243 -0.548) 4.506 41.057 ( 3.803 -19.113 3.279) 19.762 42.235 ( 0.490 1.512 -6.034) 6.240 42.900 ( -4.794 18.978 6.828) 20.730 ======================= Grid point 232 (112/125) ======================= q-point: (-0.33 -0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 4.874 -17.737 -41.307) 45.217 4.399 ( -3.507 -21.394 -14.796) 26.247 4.838 ( -2.432 -2.039 13.212) 13.588 5.004 ( 1.211 5.388 -6.108) 8.234 5.409 ( 1.255 3.918 17.611) 18.086 5.718 ( -6.542 4.699 -23.843) 25.166 6.096 ( -0.439 -0.358 -10.755) 10.769 6.410 ( 5.201 -4.700 21.751) 22.853 6.698 ( 1.592 -2.516 -3.569) 4.648 6.980 ( -0.497 11.517 2.942) 11.897 7.436 ( -2.705 -2.829 16.499) 16.957 7.856 ( 9.453 6.365 -3.321) 11.870 8.206 ( -10.006 10.796 -4.752) 15.468 8.323 ( 3.579 -3.775 -4.409) 6.819 8.822 ( -2.729 10.047 9.088) 13.820 8.883 ( 4.524 9.844 5.088) 11.969 9.133 ( -2.399 -1.629 6.448) 7.070 9.530 ( -2.688 -0.184 6.693) 7.215 9.914 ( 0.959 1.191 -7.267) 7.426 10.206 ( 9.310 5.600 2.060) 11.059 10.332 ( -3.485 -5.135 -1.625) 6.415 10.695 ( -1.079 -4.549 -1.549) 4.925 10.859 ( -2.352 -2.414 5.346) 6.319 11.272 ( -5.779 -4.337 -11.875) 13.900 11.666 ( 3.483 -3.415 11.250) 12.262 12.030 ( 1.709 -3.372 -3.113) 4.897 12.435 ( 2.279 -5.834 -16.081) 17.258 12.674 ( -2.664 -3.962 -3.367) 5.842 12.879 ( -0.121 -5.470 0.868) 5.540 13.036 ( 1.264 -5.161 8.204) 9.774 13.370 ( -1.870 0.188 6.400) 6.671 13.634 ( -0.114 -3.129 3.097) 4.405 14.345 ( 1.218 -4.024 -1.953) 4.636 14.778 ( -1.779 -7.024 5.435) 9.058 15.244 ( 1.792 11.098 -5.401) 12.472 15.452 ( -1.423 -4.162 10.731) 11.598 15.881 ( 0.509 2.801 -6.078) 6.711 16.142 ( 0.546 8.716 5.533) 10.339 16.543 ( 0.521 -1.801 1.217) 2.235 16.814 ( -1.051 2.007 -2.516) 3.385 16.902 ( -1.949 4.534 -3.655) 6.141 17.320 ( 3.334 9.869 8.006) 13.138 17.756 ( 2.348 -0.357 -2.041) 3.131 18.058 ( -2.045 9.398 0.204) 9.620 18.537 ( -0.950 0.945 -2.993) 3.279 18.851 ( 0.195 2.939 -1.350) 3.241 18.928 ( 0.353 3.972 1.875) 4.406 19.336 ( -0.478 -1.124 -3.695) 3.891 20.119 ( -0.246 -4.254 1.018) 4.381 20.367 ( -1.258 0.531 0.427) 1.431 20.644 ( 2.100 -1.547 -0.717) 2.705 21.212 ( 0.611 1.191 -11.429) 11.507 21.387 ( -2.595 -5.904 -0.250) 6.454 21.520 ( 1.045 -0.812 9.406) 9.499 21.838 ( 0.056 -1.531 -1.140) 1.910 21.939 ( 1.511 -1.390 -3.763) 4.287 22.138 ( -1.428 0.373 5.267) 5.470 26.390 ( -0.326 5.134 -2.133) 5.569 26.826 ( 0.548 -1.700 -4.523) 4.863 27.036 ( -0.297 3.913 5.046) 6.393 30.012 ( 0.069 -0.382 -10.460) 10.468 30.275 ( -0.209 0.877 11.960) 11.993 30.654 ( 0.196 -3.200 -1.111) 3.393 36.571 ( -1.301 -2.884 -0.728) 3.246 36.801 ( 2.238 0.483 2.032) 3.061 37.464 ( -2.058 0.634 -3.605) 4.199 37.676 ( 1.385 3.830 -0.472) 4.100 37.945 ( 0.088 6.985 4.461) 8.288 38.771 ( -0.702 2.428 -1.839) 3.126 39.790 ( 2.481 -1.899 -5.792) 6.580 39.900 ( -3.018 -1.913 3.909) 5.296 40.623 ( -0.070 3.425 0.381) 3.446 41.012 ( 0.746 -16.824 0.978) 16.868 42.132 ( 2.172 -0.670 -6.212) 6.615 43.068 ( -1.930 21.106 1.966) 21.286 ======================= Grid point 233 (113/125) ======================= q-point: (-0.22 -0.33 0.22) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 4.968 -20.103 -44.278) 48.880 3.801 ( 4.932 -24.243 -36.565) 44.148 4.808 ( -1.922 5.030 -13.996) 14.996 4.985 ( -2.342 -1.563 -2.698) 3.900 5.258 ( -0.983 2.369 -19.211) 19.382 5.722 ( 3.068 2.790 4.501) 6.120 6.013 ( -8.427 6.778 11.616) 15.871 6.534 ( 9.599 -5.239 -4.251) 11.733 6.873 ( 3.800 1.789 12.491) 13.178 7.100 ( -6.555 1.123 1.558) 6.831 7.534 ( -4.002 2.907 0.382) 4.961 7.874 ( 7.493 -1.154 -7.515) 10.674 8.063 ( 1.612 -2.743 4.229) 5.292 8.423 ( -3.301 0.228 9.334) 9.903 8.904 ( -0.967 6.881 0.819) 6.997 9.120 ( 2.968 3.519 4.650) 6.543 9.383 ( -1.044 6.550 20.153) 21.217 9.618 ( -7.360 2.367 7.457) 10.742 9.892 ( 7.185 0.830 3.924) 8.228 10.237 ( 3.135 0.816 0.449) 3.270 10.398 ( 1.468 6.662 0.676) 6.856 10.629 ( -3.571 -3.908 0.078) 5.294 10.908 ( 1.406 -4.218 4.851) 6.580 11.065 ( -7.934 1.519 -1.803) 8.277 11.768 ( -2.156 -5.782 -1.514) 6.354 11.937 ( -0.046 -8.486 -15.424) 17.604 12.080 ( 2.637 1.879 -6.704) 7.445 12.671 ( 10.763 -2.704 3.007) 11.498 12.786 ( -12.565 -4.409 -0.862) 13.344 13.211 ( 5.089 -4.106 5.915) 8.818 13.470 ( -2.188 -0.900 4.975) 5.509 13.729 ( -4.788 -7.641 13.650) 16.359 14.277 ( 1.819 -0.384 -4.653) 5.011 14.803 ( -5.004 -3.910 5.978) 8.722 15.168 ( -2.378 16.458 -11.686) 20.325 15.545 ( -7.962 -0.763 1.179) 8.085 15.878 ( 5.719 2.347 2.405) 6.633 16.210 ( 2.311 3.626 -3.818) 5.750 16.502 ( 1.758 -0.156 -3.847) 4.232 16.781 ( -0.384 1.353 2.545) 2.908 17.041 ( 2.657 -3.906 14.070) 14.842 17.543 ( 2.213 5.977 6.270) 8.940 17.798 ( 6.695 1.277 2.789) 7.364 18.075 ( -2.305 10.653 -3.650) 11.495 18.445 ( 0.088 -1.958 -5.125) 5.487 18.838 ( -0.916 1.859 -0.979) 2.292 19.018 ( 3.218 3.611 3.080) 5.734 19.288 ( 3.252 -2.543 -0.555) 4.166 20.116 ( -0.316 -0.878 0.223) 0.960 20.323 ( -4.638 -3.209 -0.911) 5.713 20.623 ( 1.598 -2.812 -3.766) 4.965 21.048 ( -0.243 4.071 -9.300) 10.155 21.300 ( -0.625 -4.364 -2.371) 5.006 21.610 ( -4.482 0.241 1.834) 4.848 21.814 ( 2.345 -3.995 -1.951) 5.026 21.913 ( 3.075 -1.527 0.325) 3.448 22.244 ( -2.111 1.645 8.709) 9.111 26.398 ( 2.327 2.254 0.307) 3.254 26.756 ( 1.494 -2.420 -3.387) 4.423 27.107 ( -1.209 4.176 0.577) 4.386 29.911 ( 0.840 1.992 -1.714) 2.759 30.389 ( -0.832 -2.794 -0.034) 2.916 30.635 ( -1.141 0.738 2.121) 2.519 36.505 ( -2.738 -0.380 -2.880) 3.992 36.850 ( 0.432 0.198 0.458) 0.659 37.408 ( 2.863 -0.870 -2.695) 4.027 37.709 ( 0.736 2.724 0.160) 2.826 38.084 ( 0.097 5.438 6.592) 8.546 38.683 ( -3.460 6.854 -7.912) 11.025 39.691 ( 2.358 0.314 -7.409) 7.782 39.901 ( -3.534 -2.407 1.270) 4.460 40.630 ( -0.208 -2.186 -0.285) 2.214 40.946 ( -2.170 -6.559 0.483) 6.926 42.077 ( 7.547 -5.125 -3.778) 9.875 43.130 ( -3.757 21.116 -6.016) 22.276 ======================= Grid point 289 (114/125) ======================= q-point: ( 0.33 -0.67 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 0.000 0.000 -16.426) 16.426 4.137 ( 0.000 0.000 -11.675) 11.675 4.439 ( 0.000 0.000 -3.473) 3.473 4.475 ( 0.000 0.000 -12.672) 12.672 4.664 ( -0.000 -0.000 0.592) 0.592 5.576 ( 0.000 0.000 -15.433) 15.433 6.006 ( -0.000 -0.000 11.084) 11.084 6.403 ( -0.000 -0.000 13.308) 13.308 6.512 ( -0.000 -0.000 11.306) 11.306 6.526 ( -0.000 -0.000 2.580) 2.580 7.627 ( -0.000 -0.000 3.822) 3.822 8.259 ( -0.000 -0.000 7.074) 7.074 8.407 ( 0.000 0.000 -7.717) 7.717 8.643 ( -0.000 -0.000 1.363) 1.363 8.975 ( -0.000 -0.000 13.863) 13.863 9.226 ( 0.000 0.000 -22.467) 22.467 9.635 ( -0.000 -0.000 13.176) 13.176 9.759 ( -0.000 -0.000 2.600) 2.600 9.780 ( 0.000 0.000 -6.227) 6.227 10.031 ( 0.000 0.000 -6.527) 6.527 10.545 ( -0.000 -0.000 5.555) 5.555 10.777 ( -0.000 -0.000 1.317) 1.317 11.086 ( -0.000 -0.000 3.506) 3.506 11.296 ( -0.000 -0.000 0.192) 0.192 11.779 ( 0.000 0.000 -16.438) 16.438 11.793 ( -0.000 -0.000 6.458) 6.458 12.073 ( 0.000 0.000 -5.738) 5.738 12.374 ( -0.000 -0.000 7.102) 7.102 12.571 ( 0.000 0.000 -12.949) 12.949 12.862 ( -0.000 -0.000 17.723) 17.723 13.607 ( -0.000 -0.000 1.008) 1.008 13.693 ( -0.000 -0.000 12.702) 12.702 14.396 ( 0.000 0.000 -5.032) 5.032 14.547 ( -0.000 -0.000 19.167) 19.167 15.185 ( -0.000 -0.000 12.701) 12.701 15.314 ( 0.000 0.000 -10.207) 10.207 15.622 ( -0.000 -0.000 3.877) 3.877 16.490 ( -0.000 -0.000 0.053) 0.053 16.940 ( -0.000 -0.000 1.076) 1.076 16.979 ( 0.000 0.000 -7.170) 7.170 17.234 ( -0.000 -0.000 2.332) 2.332 17.823 ( 0.000 0.000 -30.349) 30.349 18.027 ( 0.000 0.000 -15.755) 15.755 18.087 ( 0.000 0.000 -12.352) 12.352 18.460 ( -0.000 -0.000 17.563) 17.563 19.016 ( -0.000 -0.000 2.950) 2.950 19.034 ( 0.000 0.000 -4.993) 4.993 19.462 ( 0.000 0.000 -8.231) 8.231 19.953 ( -0.000 -0.000 1.629) 1.629 20.153 ( 0.000 0.000 -5.371) 5.371 20.201 ( -0.000 -0.000 9.962) 9.962 20.797 ( -0.000 -0.000 14.928) 14.928 21.318 ( -0.000 -0.000 1.702) 1.702 21.833 ( 0.000 0.000 -4.626) 4.626 21.913 ( -0.000 -0.000 9.321) 9.321 21.983 ( 0.000 0.000 -11.227) 11.227 22.387 ( 0.000 0.000 -0.839) 0.839 26.661 ( 0.000 0.000 -8.144) 8.144 26.775 ( -0.000 -0.000 3.242) 3.242 27.034 ( 0.000 0.000 -4.455) 4.455 29.973 ( -0.000 -0.000 4.120) 4.120 30.184 ( 0.000 0.000 -10.415) 10.415 30.521 ( -0.000 -0.000 9.967) 9.967 36.331 ( 0.000 0.000 -0.895) 0.895 36.491 ( -0.000 -0.000 13.773) 13.773 37.162 ( -0.000 -0.000 1.144) 1.144 37.900 ( 0.000 0.000 -4.486) 4.486 38.257 ( -0.000 -0.000 3.658) 3.658 38.584 ( 0.000 0.000 -20.312) 20.312 39.569 ( 0.000 0.000 -5.261) 5.261 39.656 ( -0.000 -0.000 11.251) 11.251 40.537 ( -0.000 -0.000 18.299) 18.299 40.682 ( 0.000 0.000 -2.841) 2.841 42.307 ( 0.000 0.000 -15.985) 15.985 42.699 ( -0.000 -0.000 2.075) 2.075 ======================= Grid point 292 (115/125) ======================= q-point: (-0.56 0.33 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -13.079 -5.669 -1.688) 14.354 3.747 ( -27.565 -21.371 -0.812) 34.888 4.417 ( 1.463 18.700 1.210) 18.796 4.577 ( 11.618 -1.581 6.195) 13.261 4.703 ( 7.414 -3.011 -0.023) 8.002 5.588 ( 6.974 5.672 4.262) 9.948 6.122 ( -3.385 -0.751 5.129) 6.191 6.570 ( -1.331 -3.880 8.221) 9.188 6.681 ( 1.490 5.441 9.573) 11.112 6.730 ( 7.037 1.113 9.867) 12.171 7.561 ( -5.071 -4.154 -5.798) 8.751 8.248 ( 0.944 0.465 -13.863) 13.903 8.375 ( -7.482 -1.890 6.569) 10.134 8.656 ( -3.286 -1.529 -1.283) 3.845 8.844 ( 7.068 0.816 -8.895) 11.391 9.146 ( 0.319 1.359 -3.326) 3.608 9.595 ( -3.474 0.209 -3.639) 5.035 9.741 ( 5.112 -0.445 -6.478) 8.264 9.815 ( 9.028 6.952 -6.055) 12.903 10.067 ( 0.155 -0.431 8.193) 8.206 10.602 ( -2.929 -1.077 -0.125) 3.123 10.727 ( -2.189 -1.006 -3.780) 4.483 11.129 ( -4.579 -0.787 -2.669) 5.358 11.209 ( 2.522 -0.219 1.071) 2.748 11.635 ( -2.557 -0.839 -0.517) 2.740 11.933 ( -0.541 -4.505 8.208) 9.378 12.082 ( -0.643 4.365 2.010) 4.849 12.382 ( 3.946 -1.377 -5.508) 6.914 12.567 ( 1.211 2.113 13.972) 14.182 13.177 ( 2.952 2.655 12.931) 13.527 13.573 ( -4.810 -2.079 -0.657) 5.282 13.863 ( 5.420 1.216 2.471) 6.080 14.329 ( 1.312 1.640 -1.902) 2.834 14.843 ( -1.356 -1.688 9.620) 9.860 15.067 ( -7.061 -4.521 -6.475) 10.593 15.316 ( 3.697 5.051 0.412) 6.273 15.677 ( 3.161 0.188 -0.450) 3.198 16.503 ( -4.809 -3.184 2.861) 6.438 16.831 ( -6.703 -3.089 -7.682) 10.653 16.972 ( 6.821 3.219 -6.953) 10.259 17.266 ( 2.962 2.860 -0.704) 4.177 17.415 ( 0.931 0.323 -8.616) 8.672 17.710 ( -2.913 -2.149 -16.343) 16.739 17.925 ( 3.340 1.702 -9.040) 9.787 18.606 ( -1.633 -1.081 1.532) 2.486 18.952 ( -1.218 -0.255 -3.497) 3.712 19.047 ( 0.866 0.390 -1.298) 1.608 19.357 ( -0.459 -0.342 -3.539) 3.585 19.964 ( 0.781 0.034 0.105) 0.788 20.158 ( 1.371 1.153 4.805) 5.128 20.423 ( 0.160 0.003 14.103) 14.104 21.074 ( -3.184 -1.575 17.260) 17.622 21.320 ( 0.829 0.440 -1.303) 1.606 21.653 ( -4.051 -2.571 -13.953) 14.755 21.806 ( -1.410 -0.694 -2.226) 2.725 22.095 ( 2.845 1.003 5.714) 6.462 22.317 ( 3.210 2.601 -9.224) 10.107 26.518 ( -0.210 -0.108 -7.896) 7.900 26.837 ( -0.881 -1.664 3.569) 4.035 26.950 ( 0.811 1.544 -4.333) 4.671 29.987 ( -1.141 -0.570 -8.233) 8.331 30.141 ( 1.386 0.626 10.867) 10.973 30.647 ( 0.003 0.061 4.098) 4.099 36.352 ( 0.402 0.270 2.980) 3.019 36.742 ( -0.218 -0.374 13.605) 13.612 37.230 ( -0.407 -0.144 6.634) 6.648 37.789 ( -2.034 -1.275 -6.904) 7.309 38.200 ( -0.927 0.221 -14.300) 14.332 38.389 ( 4.717 2.335 0.861) 5.333 39.516 ( 0.101 -0.002 -0.297) 0.314 39.837 ( -0.607 -0.274 9.395) 9.419 40.626 ( -0.778 -0.632 -2.054) 2.286 40.888 ( -0.612 -0.618 20.529) 20.548 42.080 ( 1.576 0.621 -10.645) 10.779 42.705 ( -0.383 0.335 -0.961) 1.088 ======================= Grid point 293 (116/125) ======================= q-point: (-0.44 0.33 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -26.188 -11.087 23.774) 37.066 3.618 ( -13.396 -13.946 27.407) 33.542 4.650 ( -1.995 4.934 9.998) 11.326 4.710 ( -0.964 9.537 10.756) 14.407 4.903 ( 17.879 -4.112 7.928) 19.986 5.713 ( 1.907 0.046 0.072) 1.909 6.142 ( -3.938 3.826 0.819) 5.551 6.649 ( -1.556 -2.827 2.749) 4.239 6.810 ( -1.258 3.244 1.547) 3.808 6.979 ( 12.768 -1.944 5.067) 13.873 7.379 ( -2.406 -1.429 -3.090) 4.169 7.881 ( 0.918 -0.769 -19.268) 19.305 8.380 ( -8.087 3.059 0.594) 8.667 8.630 ( -0.065 -0.175 -6.309) 6.312 8.874 ( 0.501 0.136 -9.598) 9.612 8.993 ( 2.701 -5.354 6.057) 8.524 9.520 ( 6.270 5.086 -15.893) 17.826 9.695 ( 1.343 7.479 -4.858) 9.019 9.776 ( 10.234 0.080 -7.840) 12.892 10.162 ( -1.348 -2.493 1.051) 3.023 10.521 ( 0.423 -1.429 -3.822) 4.102 10.603 ( -7.388 -0.189 -1.572) 7.555 10.956 ( 0.476 1.039 -6.501) 6.600 11.480 ( -2.138 -6.001 7.773) 10.050 11.570 ( -7.289 3.734 10.563) 13.366 11.971 ( -3.252 -6.590 2.971) 7.927 12.109 ( -6.847 6.077 4.515) 10.208 12.488 ( 13.751 -7.057 5.378) 16.365 12.825 ( -1.804 2.801 11.236) 11.719 13.349 ( 4.031 6.035 2.384) 7.639 13.451 ( -5.519 -3.039 -5.557) 8.401 13.913 ( 8.025 1.151 -6.280) 10.255 14.385 ( -2.393 1.907 3.661) 4.771 14.694 ( -1.204 0.493 -7.695) 7.804 15.075 ( -2.070 -9.886 7.234) 12.423 15.416 ( -3.624 12.812 5.362) 14.354 15.726 ( 8.517 -3.048 2.967) 9.520 16.331 ( -4.941 -7.669 -15.470) 17.960 16.618 ( -7.397 5.839 -3.691) 10.121 16.858 ( 6.394 -2.704 -11.364) 13.317 17.261 ( 2.399 1.547 -8.506) 8.972 17.435 ( 1.556 3.711 -6.288) 7.465 17.603 ( 6.828 0.152 10.923) 12.883 17.849 ( 1.555 1.123 -3.905) 4.350 18.528 ( -2.223 -1.335 -5.102) 5.724 18.885 ( -1.801 0.707 -2.717) 3.336 18.999 ( 1.674 0.247 -4.998) 5.276 19.315 ( -0.701 -1.171 -0.709) 1.538 20.006 ( 2.543 1.301 2.821) 4.015 20.331 ( 0.484 1.174 11.852) 11.920 20.612 ( -1.472 -1.143 7.183) 7.421 21.140 ( -9.595 -3.617 -2.727) 10.611 21.301 ( 0.200 -0.742 -1.650) 1.820 21.525 ( 4.113 1.776 4.178) 6.125 21.791 ( -1.081 -0.962 2.011) 2.478 22.090 ( -2.522 -3.999 -5.221) 7.043 22.261 ( 4.341 5.588 -4.061) 8.158 26.399 ( 0.681 0.150 -5.916) 5.957 26.812 ( -2.648 -2.732 -0.560) 3.846 26.981 ( 2.946 2.996 1.887) 4.606 29.866 ( 1.435 0.878 -4.946) 5.224 30.365 ( -1.773 -1.390 13.483) 13.670 30.656 ( 0.538 0.505 -3.174) 3.258 36.435 ( 0.312 0.653 5.589) 5.636 36.878 ( -1.655 -2.958 3.888) 5.158 37.357 ( 0.032 1.772 6.216) 6.463 37.653 ( -1.172 -1.792 -3.855) 4.410 38.010 ( 7.581 5.304 -12.654) 15.675 38.506 ( -0.641 0.314 8.381) 8.411 39.566 ( 0.022 -0.384 5.769) 5.782 39.947 ( -1.304 -0.027 4.565) 4.748 40.587 ( 1.334 -0.016 -2.327) 2.682 41.149 ( -7.928 -5.513 14.892) 17.748 42.012 ( 4.755 -0.080 -1.386) 4.953 42.700 ( 3.786 5.620 -1.672) 6.980 ======================= Grid point 294 (117/125) ======================= q-point: (-0.33 0.33 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -21.412 -15.335 37.092) 45.491 4.101 ( -12.328 -6.481 39.562) 41.942 4.771 ( 0.562 1.698 9.496) 9.663 5.038 ( -1.332 1.012 5.682) 5.923 5.175 ( 7.105 11.507 16.918) 21.659 5.652 ( 3.014 -11.334 -4.800) 12.673 6.052 ( -6.769 7.129 -7.584) 12.416 6.585 ( -3.241 -5.522 0.996) 6.480 6.784 ( 3.483 -0.661 -6.838) 7.702 7.009 ( 7.771 1.637 -10.357) 13.051 7.566 ( 4.030 9.665 10.426) 14.777 7.717 ( 7.998 -4.473 -2.823) 9.588 8.160 ( -7.809 -2.989 -12.399) 14.954 8.457 ( -2.373 2.526 -8.477) 9.158 8.798 ( 6.505 4.649 -6.019) 10.008 9.033 ( 3.544 -2.290 -8.846) 9.801 9.301 ( 2.833 2.303 -14.010) 14.478 9.622 ( 0.790 5.834 -6.457) 8.738 9.800 ( 5.228 -1.401 1.241) 5.553 10.133 ( 4.684 -2.951 -0.070) 5.536 10.409 ( -4.576 -1.128 -3.168) 5.679 10.645 ( 2.207 -0.117 4.338) 4.868 10.956 ( -1.615 4.677 1.050) 5.059 11.250 ( -13.727 -3.184 -3.317) 14.477 11.859 ( -2.913 -1.198 0.099) 3.152 11.974 ( 0.420 -4.779 9.506) 10.648 12.188 ( -9.504 2.483 14.632) 17.624 12.610 ( 3.177 -12.027 5.447) 13.580 12.917 ( -3.484 2.851 2.332) 5.070 13.263 ( -4.706 -3.978 -7.356) 9.595 13.447 ( 3.081 5.768 -2.899) 7.153 13.777 ( 5.021 0.250 -14.650) 15.488 14.346 ( -7.474 -1.010 2.905) 8.082 14.801 ( 7.771 4.842 5.855) 10.869 15.061 ( -3.693 -3.793 2.158) 5.716 15.592 ( -0.540 7.523 6.234) 9.785 15.822 ( 1.860 -3.355 -3.457) 5.164 16.064 ( 7.982 -0.550 -3.528) 8.744 16.557 ( -4.348 0.742 0.254) 4.418 16.737 ( 2.567 1.020 -5.114) 5.812 17.069 ( -0.711 -0.410 -12.731) 12.757 17.388 ( 9.167 3.478 -10.595) 14.436 17.735 ( 1.892 -5.474 1.049) 5.886 17.932 ( 5.576 8.029 4.398) 10.719 18.470 ( -0.798 0.180 1.980) 2.142 18.837 ( -0.810 1.413 -1.626) 2.301 18.942 ( 3.188 0.394 -4.170) 5.264 19.306 ( -1.234 -0.975 1.649) 2.279 20.103 ( 1.587 1.474 3.940) 4.496 20.439 ( -5.535 -0.468 -0.864) 5.621 20.648 ( -0.776 -2.165 1.967) 3.026 21.024 ( -1.154 -0.797 4.896) 5.093 21.353 ( -1.614 -1.554 6.426) 6.806 21.624 ( 1.128 1.753 -0.858) 2.255 21.834 ( -0.740 -2.720 4.296) 5.138 21.945 ( -2.960 -2.494 -4.047) 5.600 22.229 ( 1.406 3.370 -6.253) 7.241 26.346 ( 2.125 1.363 -2.081) 3.272 26.789 ( -2.090 -1.899 2.331) 3.662 27.042 ( 3.535 2.617 -0.986) 4.508 29.874 ( 1.500 0.878 3.667) 4.058 30.447 ( -2.915 -1.643 -3.368) 4.747 30.627 ( 0.690 0.197 1.843) 1.978 36.534 ( -1.182 0.680 5.343) 5.514 36.850 ( -0.444 -3.392 -2.191) 4.063 37.416 ( -1.589 2.406 1.673) 3.334 37.642 ( 3.466 -0.635 0.089) 3.525 37.952 ( 8.558 5.234 -7.751) 12.677 38.656 ( -0.725 1.351 8.820) 8.952 39.682 ( -0.367 -1.323 7.816) 7.936 39.966 ( -2.390 0.740 -0.532) 2.558 40.584 ( 3.812 0.882 -1.008) 4.041 41.172 ( -13.751 -8.087 5.406) 16.844 42.061 ( 2.086 -4.897 3.559) 6.402 42.834 ( 13.583 13.343 0.977) 19.065 ======================= Grid point 301 (118/125) ======================= q-point: ( 0.44 -0.56 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 0.923 -19.485 26.254) 32.707 4.005 ( -4.023 -7.166 15.508) 17.551 4.421 ( 6.267 13.379 10.555) 18.157 4.701 ( 0.381 -3.623 5.602) 6.682 4.836 ( -3.771 10.004 12.081) 16.132 5.681 ( -0.178 4.996 4.698) 6.860 6.182 ( 1.585 -3.124 1.449) 3.791 6.674 ( -0.653 -6.104 5.930) 8.535 6.783 ( 3.966 -2.053 5.321) 6.947 6.900 ( -5.232 7.757 6.141) 11.191 7.402 ( -0.232 -2.785 -14.171) 14.444 7.872 ( -0.024 3.929 -24.204) 24.521 8.439 ( 3.023 -6.127 2.240) 7.191 8.630 ( -0.909 1.317 1.128) 1.958 8.881 ( -0.045 -0.526 -21.247) 21.253 8.999 ( -2.280 1.148 13.039) 13.287 9.435 ( 0.645 -0.024 -14.146) 14.161 9.632 ( 1.745 1.657 -8.163) 8.510 9.714 ( -1.497 8.400 -3.227) 9.122 10.192 ( -0.500 -2.270 4.117) 4.728 10.498 ( -0.117 -0.680 -9.272) 9.298 10.708 ( 1.215 -2.252 1.442) 2.937 10.924 ( -0.064 -1.111 -10.845) 10.902 11.498 ( -1.294 -2.740 22.833) 23.033 11.645 ( 2.083 -2.584 -0.898) 3.438 12.016 ( -2.525 -3.841 3.194) 5.597 12.175 ( 7.383 -2.432 4.730) 9.099 12.368 ( -7.294 6.673 7.970) 12.698 12.830 ( 0.763 0.262 14.251) 14.274 13.276 ( 0.706 -2.170 1.534) 2.750 13.548 ( 0.881 3.980 -6.200) 7.420 13.814 ( -1.428 2.912 -7.264) 7.955 14.384 ( 0.726 -0.081 8.295) 8.327 14.715 ( 0.461 -3.047 -12.778) 13.144 15.155 ( -4.606 -11.536 8.881) 15.270 15.365 ( 6.819 5.758 6.167) 10.848 15.674 ( -2.730 3.946 1.329) 4.979 16.432 ( -2.831 -4.840 -20.610) 21.359 16.618 ( 5.620 1.891 -8.061) 10.007 16.836 ( -3.435 1.958 -3.489) 5.273 17.207 ( 0.452 3.487 -5.677) 6.678 17.410 ( 1.031 -2.559 -11.805) 12.123 17.563 ( -1.275 5.526 9.573) 11.127 17.834 ( 0.042 2.563 -2.567) 3.627 18.550 ( 0.001 -0.914 -5.982) 6.051 18.898 ( 0.470 0.008 -2.962) 2.999 18.984 ( -0.222 -0.316 -5.290) 5.304 19.328 ( -0.187 1.031 -0.746) 1.286 19.979 ( -0.022 1.998 2.160) 2.943 20.321 ( 0.163 -0.225 13.605) 13.608 20.628 ( -0.043 -1.330 7.868) 7.979 21.256 ( 1.232 -9.416 -3.070) 9.980 21.301 ( -0.741 -0.824 -2.319) 2.570 21.462 ( -0.402 5.715 2.963) 6.450 21.806 ( -0.056 -1.150 2.105) 2.399 22.144 ( -3.217 -0.140 -6.459) 7.217 22.183 ( 3.341 2.472 -0.091) 4.157 26.395 ( -0.064 0.950 -6.501) 6.570 26.857 ( -0.704 -0.411 -2.332) 2.470 26.932 ( 0.729 1.286 2.914) 3.268 29.852 ( 0.012 0.923 -5.199) 5.280 30.385 ( -0.097 -1.081 14.907) 14.946 30.648 ( 0.057 -0.353 -3.841) 3.858 36.430 ( 0.109 0.212 5.983) 5.988 36.903 ( -0.512 -4.361 4.915) 6.591 37.350 ( 0.436 0.648 6.830) 6.874 37.692 ( -0.384 2.168 -5.292) 5.732 37.902 ( 0.374 3.835 -15.544) 16.015 38.515 ( 0.147 -0.402 9.923) 9.932 39.568 ( -0.091 0.298 5.975) 5.983 39.957 ( 0.159 -1.266 4.681) 4.852 40.577 ( -0.175 1.082 -3.446) 3.616 41.241 ( -0.218 -9.383 20.277) 22.344 41.963 ( -0.710 7.754 -3.461) 8.521 42.652 ( 0.850 1.236 -5.056) 5.274 ======================= Grid point 303 (119/125) ======================= q-point: (-0.44 0.44 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -11.482 -21.285 32.853) 40.795 4.324 ( -11.904 4.399 34.758) 37.002 4.769 ( 0.903 1.303 6.112) 6.314 4.876 ( 14.561 4.770 14.105) 20.826 5.106 ( 0.713 5.908 17.518) 18.501 5.665 ( -4.376 -4.200 -6.747) 9.073 6.166 ( -1.103 4.634 -5.124) 6.996 6.674 ( -7.999 -4.601 -11.218) 14.525 6.772 ( 2.679 -6.164 4.271) 7.963 6.890 ( -0.158 -3.743 -2.512) 4.511 7.289 ( 15.373 -2.273 -0.247) 15.542 7.700 ( -0.924 19.335 -5.177) 20.037 8.325 ( -7.070 0.042 -23.365) 24.411 8.476 ( 1.070 -0.212 -2.393) 2.630 8.660 ( 6.162 4.959 -11.171) 13.688 9.039 ( -4.254 -4.981 -11.868) 13.556 9.241 ( 3.437 -1.014 -4.555) 5.796 9.572 ( 3.974 -0.310 -1.352) 4.209 9.750 ( -0.511 8.245 2.818) 8.728 10.112 ( -1.637 -2.943 -5.517) 6.463 10.419 ( 3.075 2.320 -3.741) 5.370 10.686 ( -6.207 -3.915 3.920) 8.320 10.929 ( 4.612 2.247 3.675) 6.310 11.485 ( -7.972 -7.277 -1.574) 10.908 11.862 ( 1.969 -6.572 6.829) 9.680 12.004 ( -2.911 -0.022 3.629) 4.652 12.310 ( -0.878 -5.340 11.787) 12.969 12.572 ( -1.527 0.568 15.047) 15.135 12.956 ( -1.118 -2.609 2.500) 3.782 13.318 ( 1.489 -0.300 -1.693) 2.275 13.420 ( -1.785 6.775 -7.934) 10.585 13.659 ( 3.989 1.768 -11.732) 12.517 14.446 ( -1.293 -4.638 -1.258) 4.976 14.674 ( 3.686 5.267 7.273) 9.707 15.170 ( -6.624 -11.761 6.164) 14.839 15.562 ( 7.654 3.067 2.531) 8.625 15.748 ( -0.095 0.058 5.684) 5.685 16.021 ( -1.753 5.895 -16.799) 17.889 16.567 ( 2.784 -4.933 -3.388) 6.600 16.755 ( -3.255 4.071 -3.418) 6.233 17.078 ( -0.956 1.575 -10.934) 11.088 17.225 ( 6.250 5.693 -12.918) 15.439 17.728 ( -1.238 -0.353 4.651) 4.826 17.863 ( 2.297 6.183 2.468) 7.043 18.475 ( 0.105 1.002 -1.225) 1.586 18.858 ( -0.732 1.255 -2.357) 2.769 18.893 ( 1.501 0.008 -4.712) 4.945 19.329 ( -0.884 1.603 0.578) 1.920 20.072 ( 1.274 2.167 6.061) 6.561 20.507 ( -1.267 -3.023 3.052) 4.479 20.658 ( -0.514 -1.848 -0.082) 1.920 21.069 ( -2.174 -2.006 -0.613) 3.021 21.373 ( -0.702 -2.131 8.650) 8.937 21.584 ( 1.993 -0.102 1.527) 2.513 21.852 ( -0.833 -1.986 4.192) 4.713 22.006 ( -2.881 0.161 -5.299) 6.034 22.188 ( 2.565 1.812 -4.402) 5.408 26.319 ( 0.670 2.936 -3.713) 4.781 26.831 ( -1.848 -0.265 1.197) 2.218 26.980 ( 2.444 1.172 -0.452) 2.748 29.854 ( 0.532 1.174 4.628) 4.804 30.492 ( -1.484 -1.581 -8.465) 8.739 30.612 ( 0.599 -0.941 7.285) 7.370 36.546 ( -0.066 -0.076 6.999) 7.000 36.866 ( -1.058 -6.450 -2.737) 7.086 37.451 ( -0.778 3.328 2.421) 4.188 37.619 ( -2.425 2.553 -2.390) 4.255 37.780 ( 8.088 6.245 -7.483) 12.666 38.676 ( -0.593 -1.607 9.054) 9.215 39.695 ( -0.659 -0.501 8.457) 8.498 39.988 ( -0.037 -1.293 -0.182) 1.306 40.535 ( 0.968 2.118 -2.470) 3.394 41.396 ( -7.118 -17.487 10.680) 21.691 42.032 ( -0.610 7.987 4.471) 9.173 42.619 ( 8.113 9.570 -5.255) 13.603 ======================= Grid point 304 (120/125) ======================= q-point: (-0.33 0.44 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( -11.976 -14.416 32.610) 37.612 4.698 ( -8.677 -2.226 13.673) 16.346 4.882 ( 2.435 0.991 1.039) 2.827 5.020 ( -10.229 0.876 -7.091) 12.477 5.311 ( 5.495 -11.944 -13.674) 18.969 5.649 ( 3.487 8.869 29.020) 30.545 6.147 ( -2.076 3.260 5.667) 6.859 6.369 ( 5.738 -0.648 -25.112) 25.767 6.772 ( -4.628 -6.853 2.026) 8.515 6.871 ( -1.832 5.973 4.822) 7.892 7.491 ( 18.058 -5.075 -5.814) 19.638 7.589 ( -5.738 3.246 -7.519) 10.000 8.120 ( 4.151 17.206 -1.243) 17.744 8.373 ( 0.454 -0.973 -3.005) 3.191 8.668 ( 7.472 9.263 -1.319) 11.974 8.749 ( 1.554 -0.548 -12.437) 12.545 9.181 ( -1.364 -1.415 -3.111) 3.680 9.557 ( -1.098 -2.344 -2.863) 3.859 9.877 ( 1.098 3.295 6.494) 7.364 10.067 ( 4.849 1.257 -1.693) 5.287 10.412 ( -1.143 0.653 1.071) 1.697 10.720 ( -2.589 -5.380 5.989) 8.457 10.944 ( -1.463 1.636 -6.153) 6.533 11.450 ( -9.977 -3.866 10.438) 14.948 11.689 ( -1.105 -8.594 -12.225) 14.984 12.078 ( -2.408 -3.908 4.114) 6.164 12.498 ( -3.231 -6.118 13.650) 15.304 12.763 ( -2.595 0.468 6.650) 7.154 12.946 ( -2.130 -0.645 -3.406) 4.069 13.117 ( -3.374 -5.184 -8.031) 10.137 13.353 ( 1.833 3.109 -5.718) 6.762 13.616 ( 1.836 0.371 1.251) 2.253 14.399 ( -0.679 0.815 -2.505) 2.721 14.862 ( -1.648 -6.542 5.517) 8.715 15.139 ( -0.595 1.961 3.960) 4.458 15.493 ( 0.845 -1.642 -12.108) 12.248 15.834 ( 1.397 2.059 6.095) 6.583 16.002 ( 5.786 5.644 -1.415) 8.206 16.566 ( 0.503 -1.698 0.758) 1.926 16.722 ( 2.177 0.549 3.767) 4.385 16.931 ( -1.859 7.249 -7.843) 10.840 17.129 ( 8.521 5.543 -7.508) 12.638 17.762 ( -1.347 -1.189 2.974) 3.475 17.945 ( 4.352 5.744 -1.186) 7.304 18.513 ( 1.763 2.351 1.647) 3.369 18.826 ( -0.087 1.210 -0.866) 1.490 18.870 ( 2.538 2.004 -1.261) 3.471 19.348 ( -0.150 1.460 1.069) 1.816 20.182 ( -2.170 -1.982 4.308) 5.215 20.376 ( -0.891 -1.267 -6.671) 6.849 20.650 ( -0.024 -0.384 -0.007) 0.385 21.220 ( -1.858 -1.364 14.715) 14.894 21.460 ( -1.179 -2.463 -0.403) 2.760 21.524 ( -0.210 -2.504 -5.258) 5.827 21.860 ( -1.056 -0.815 -0.942) 1.633 21.963 ( -1.944 -1.210 3.474) 4.161 22.126 ( 1.643 2.157 -5.477) 6.112 26.319 ( 2.737 4.271 -0.535) 5.100 26.856 ( -1.779 -0.526 3.705) 4.143 26.975 ( 2.869 1.409 -3.671) 4.867 30.016 ( -0.096 0.518 12.355) 12.366 30.267 ( 0.213 -0.278 -14.372) 14.376 30.696 ( -1.553 -2.260 2.946) 4.024 36.629 ( -2.514 -3.062 3.264) 5.133 36.783 ( 0.505 -1.015 -2.356) 2.615 37.469 ( -0.356 2.996 0.502) 3.059 37.617 ( 1.572 1.575 0.336) 2.250 37.810 ( 7.178 6.447 -3.069) 10.124 38.770 ( -0.860 -1.271 3.022) 3.389 39.812 ( -1.593 -2.047 6.822) 7.299 39.939 ( -0.677 -0.439 -4.437) 4.510 40.547 ( 3.161 3.130 -0.173) 4.452 41.301 ( -13.019 -16.273 1.524) 20.895 42.128 ( -0.884 0.492 5.581) 5.672 42.749 ( 14.783 16.433 -3.183) 22.332 ======================= Grid point 311 (121/125) ======================= q-point: ( 0.44 -0.44 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 9.920 -19.831 36.420) 42.639 4.315 ( 13.063 4.660 30.153) 33.190 4.755 ( -2.084 1.150 7.310) 7.687 4.851 ( -11.982 2.106 16.605) 20.585 5.083 ( 1.354 1.992 11.838) 12.080 5.753 ( -1.879 5.486 -2.480) 6.307 6.096 ( 6.855 -3.718 -5.257) 9.405 6.610 ( 2.922 -6.924 -7.443) 10.577 6.819 ( -0.362 0.101 0.136) 0.399 6.978 ( 1.530 -0.797 -3.685) 4.069 7.250 ( -16.741 -4.486 -1.487) 17.395 7.713 ( -0.499 21.076 -2.609) 21.243 8.297 ( 7.075 -2.294 -25.490) 26.553 8.474 ( 1.716 -1.938 1.228) 2.865 8.653 ( -6.448 4.766 -12.869) 15.163 9.076 ( 2.723 -0.645 -14.970) 15.229 9.239 ( -3.802 -2.374 -3.081) 5.439 9.536 ( -1.552 -2.512 -0.712) 3.037 9.774 ( -1.361 10.071 2.571) 10.483 10.136 ( 0.044 -0.536 -5.234) 5.261 10.407 ( -2.543 1.414 -4.311) 5.201 10.716 ( 6.340 -1.347 5.902) 8.767 10.881 ( -3.328 -2.784 2.971) 5.259 11.469 ( 9.316 -9.764 -4.025) 14.082 11.852 ( -1.534 -5.759 10.447) 12.027 12.040 ( 0.802 2.719 1.659) 3.285 12.241 ( 4.299 -10.046 16.675) 19.936 12.661 ( -3.755 7.230 8.559) 11.817 12.946 ( 2.480 -4.261 3.103) 5.826 13.315 ( -2.854 1.464 1.095) 3.389 13.389 ( 4.389 1.846 -9.589) 10.706 13.690 ( -5.289 5.328 -11.175) 13.462 14.419 ( 3.049 -7.419 -2.107) 8.293 14.666 ( -3.361 4.131 8.527) 10.054 15.228 ( 6.504 -8.507 1.570) 10.823 15.446 ( -4.189 -4.119 8.714) 10.510 15.813 ( -3.218 4.291 3.799) 6.573 16.044 ( -0.087 9.129 -18.423) 20.561 16.540 ( -0.978 -6.913 0.322) 6.989 16.758 ( 2.691 3.129 -6.254) 7.493 17.091 ( 1.111 3.503 -11.316) 11.898 17.226 ( -7.119 5.575 -11.877) 14.927 17.782 ( -3.393 4.365 6.897) 8.840 17.818 ( 1.756 2.430 -0.338) 3.017 18.472 ( 0.117 0.627 -1.230) 1.386 18.843 ( 1.155 -0.692 -2.223) 2.599 18.906 ( -1.764 1.683 -4.570) 5.179 19.331 ( 0.784 1.737 0.314) 1.931 20.068 ( -1.016 1.693 5.926) 6.247 20.495 ( 2.131 -4.480 2.660) 5.629 20.666 ( -0.051 -0.856 0.610) 1.053 21.069 ( 2.124 -2.028 0.212) 2.944 21.379 ( 0.408 -1.353 8.037) 8.160 21.578 ( -1.608 -0.965 1.436) 2.361 21.860 ( 0.151 -0.848 4.338) 4.422 22.019 ( 2.528 1.736 -6.183) 6.902 22.168 ( -1.667 -0.644 -3.639) 4.054 26.319 ( -0.647 2.902 -3.839) 4.856 26.836 ( 1.615 0.349 1.035) 1.950 26.975 ( -2.234 0.595 -0.215) 2.321 29.854 ( -0.526 1.164 4.642) 4.815 30.492 ( 1.491 -1.592 -8.684) 8.954 30.613 ( -0.658 -0.840 7.461) 7.537 36.540 ( 0.512 -0.828 6.927) 6.995 36.881 ( -0.019 -4.928 -3.091) 5.817 37.430 ( 2.101 1.590 2.530) 3.652 37.647 ( 2.053 4.862 -1.795) 5.574 37.768 ( -8.633 5.292 -7.764) 12.760 38.668 ( 1.142 -2.552 9.210) 9.625 39.699 ( 0.329 0.057 8.547) 8.554 39.979 ( 0.690 -2.383 -0.280) 2.497 40.542 ( -1.444 2.957 -2.563) 4.171 41.389 ( 7.238 -17.436 9.889) 21.312 42.084 ( -2.011 13.108 5.654) 14.417 42.576 ( -5.811 4.699 -5.715) 9.408 ======================= Grid point 312 (122/125) ======================= q-point: (-0.44 0.56 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.487 ( -4.640 -11.875 25.393) 28.414 4.787 ( -0.948 -0.640 8.467) 8.544 4.846 ( 0.974 0.437 1.741) 2.042 4.984 ( 10.819 -8.574 6.073) 15.081 5.335 ( -2.761 -8.021 -3.317) 9.108 5.713 ( -10.107 5.994 21.961) 24.907 6.038 ( 9.941 7.982 -9.071) 15.647 6.336 ( -2.449 2.483 -20.311) 20.608 6.833 ( 0.767 -5.596 1.528) 5.852 7.040 ( -8.542 -0.703 2.348) 8.886 7.122 ( 7.297 -8.824 8.173) 14.068 7.772 ( -6.157 11.600 -8.187) 15.476 7.995 ( 8.060 12.968 -9.350) 17.904 8.356 ( -3.831 10.621 -11.945) 16.437 8.573 ( 3.267 1.083 4.914) 5.999 8.780 ( -2.392 1.189 -14.381) 14.627 9.187 ( 0.205 -3.411 -0.588) 3.467 9.554 ( 1.364 -6.185 2.283) 6.732 9.891 ( -0.984 6.932 4.287) 8.210 10.017 ( -0.983 3.839 -5.298) 6.616 10.406 ( 0.375 2.193 1.534) 2.703 10.811 ( -4.508 -4.533 6.308) 8.981 10.895 ( 4.790 -3.514 -3.242) 6.768 11.525 ( 4.137 -8.723 9.263) 13.379 11.734 ( -3.237 -7.364 -11.307) 13.876 12.112 ( -0.795 -2.655 3.318) 4.323 12.553 ( -1.313 -8.044 19.749) 21.365 12.764 ( 2.116 -1.807 1.036) 2.969 12.933 ( 0.916 1.553 -5.404) 5.697 13.167 ( -1.087 -5.537 -6.520) 8.623 13.336 ( 0.314 1.395 -3.636) 3.908 13.619 ( -1.915 7.424 -0.377) 7.676 14.367 ( 1.966 -1.603 -1.399) 2.896 14.886 ( -0.776 -1.622 13.735) 13.852 15.170 ( 0.851 -5.615 -5.896) 8.186 15.448 ( 0.626 -2.329 -3.287) 4.077 15.838 ( -0.248 4.729 2.963) 5.586 15.948 ( -1.373 5.518 -2.329) 6.144 16.539 ( 0.429 -4.400 3.659) 5.739 16.743 ( -1.276 3.139 1.728) 3.804 16.926 ( 2.650 6.102 -13.067) 14.662 17.047 ( -1.785 9.593 -5.732) 11.316 17.793 ( -1.636 -1.068 1.060) 2.223 17.890 ( 1.473 5.933 -0.253) 6.118 18.491 ( 0.083 3.108 1.071) 3.289 18.827 ( 1.340 0.602 -1.156) 1.869 18.846 ( -1.309 2.260 -1.379) 2.954 19.348 ( 0.053 2.092 -0.246) 2.107 20.198 ( 0.383 -1.920 7.961) 8.198 20.386 ( 0.335 -3.027 -8.978) 9.480 20.652 ( -0.520 0.603 -0.989) 1.270 21.249 ( -0.233 -0.698 16.159) 16.176 21.469 ( -0.538 -3.547 -6.535) 7.455 21.518 ( 0.797 -3.891 2.548) 4.719 21.875 ( -0.427 -0.991 -1.922) 2.205 22.001 ( -0.985 0.955 2.109) 2.516 22.087 ( 1.357 0.838 -4.715) 4.978 26.291 ( 0.069 4.845 -1.607) 5.105 26.885 ( -0.507 0.783 3.039) 3.179 26.936 ( 0.456 0.148 -2.813) 2.854 30.017 ( -0.019 0.816 13.012) 13.037 30.265 ( 0.051 -0.612 -15.153) 15.165 30.712 ( -0.050 -2.422 3.504) 4.260 36.654 ( 0.464 -3.365 5.657) 6.598 36.781 ( -0.595 -2.186 -3.696) 4.335 37.474 ( 0.550 1.929 -1.108) 2.292 37.620 ( -1.140 3.112 -2.574) 4.196 37.714 ( 0.586 8.633 0.379) 8.661 38.778 ( 0.292 -2.633 3.886) 4.703 39.837 ( -0.652 -1.132 7.452) 7.566 39.933 ( 0.865 -2.280 -4.293) 4.938 40.520 ( -0.308 4.087 -0.925) 4.201 41.435 ( 0.555 -21.967 4.125) 22.358 42.183 ( -3.339 3.419 0.781) 4.843 42.552 ( 2.710 19.411 -0.971) 19.623 ======================= Grid point 314 (123/125) ======================= q-point: (-0.33 -0.44 0.33) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( 0.772 -16.237 -33.482) 37.219 4.655 ( -0.794 -11.916 -12.938) 17.607 4.840 ( -3.398 -1.545 7.856) 8.698 4.938 ( -4.136 0.642 -6.166) 7.453 5.350 ( -4.110 -0.572 10.245) 11.054 5.727 ( 7.543 -3.218 -20.033) 21.647 6.039 ( -2.396 5.571 -5.195) 7.986 6.411 ( 1.017 6.006 21.855) 22.688 6.806 ( -1.656 -1.209 -2.717) 3.404 6.887 ( 4.134 -5.808 -1.597) 7.305 7.381 ( -5.137 8.185 5.755) 11.247 7.792 ( -3.921 2.559 19.609) 20.160 7.960 ( 11.075 11.172 -11.746) 19.633 8.436 ( 5.326 -0.474 4.472) 6.971 8.608 ( -2.373 10.952 0.903) 11.243 8.805 ( 3.938 3.795 13.177) 14.267 9.174 ( -1.524 -2.930 2.471) 4.125 9.524 ( -3.492 -3.140 -0.157) 4.699 9.894 ( 3.630 2.750 -3.778) 5.917 10.109 ( 1.595 8.584 5.108) 10.116 10.403 ( 0.637 -1.021 -2.523) 2.795 10.752 ( -0.957 -6.624 -3.979) 7.786 10.897 ( -1.619 -0.668 2.481) 3.037 11.370 ( -5.695 -13.557 -12.440) 19.261 11.745 ( -1.446 -3.582 11.916) 12.527 12.096 ( -0.438 -3.088 -1.565) 3.490 12.529 ( -2.451 -5.145 -21.394) 22.140 12.718 ( -1.839 -3.836 3.849) 5.737 12.931 ( -0.355 -1.215 -0.822) 1.509 13.142 ( -0.255 -4.713 9.974) 11.035 13.330 ( 0.742 1.538 2.603) 3.113 13.660 ( 2.047 2.304 2.305) 3.849 14.359 ( -1.867 -0.226 -0.997) 2.128 14.877 ( -4.012 -5.689 -4.884) 8.504 15.122 ( 0.933 1.206 -3.700) 4.002 15.483 ( -2.886 -0.296 8.401) 8.888 15.852 ( 1.219 2.504 -4.057) 4.921 16.016 ( 4.449 8.143 4.091) 10.141 16.553 ( -2.672 -0.452 -1.612) 3.153 16.763 ( 2.544 3.764 -6.872) 8.238 16.869 ( 2.890 -0.344 10.793) 11.179 17.165 ( 2.946 11.352 8.612) 14.550 17.801 ( 1.667 -1.196 0.513) 2.115 17.911 ( 1.145 6.329 -1.688) 6.649 18.509 ( 0.941 2.279 -1.974) 3.159 18.817 ( -0.055 0.695 -0.368) 0.788 18.880 ( 1.593 3.254 2.412) 4.353 19.346 ( 1.116 0.358 -1.188) 1.669 20.174 ( -1.276 -3.046 -4.848) 5.865 20.367 ( -1.412 -1.995 5.225) 5.768 20.664 ( 0.754 0.664 1.370) 1.699 21.226 ( 0.363 -1.860 -14.709) 14.831 21.454 ( -1.637 -3.993 1.802) 4.677 21.520 ( -2.772 -0.528 3.754) 4.696 21.869 ( 0.850 -0.957 2.371) 2.695 21.976 ( 1.195 -1.842 -3.213) 3.892 22.105 ( -1.075 1.823 3.966) 4.495 26.317 ( 2.135 4.330 0.355) 4.841 26.863 ( 1.129 -1.567 -3.374) 3.888 26.970 ( -0.761 3.088 3.474) 4.709 30.017 ( 0.548 0.217 -12.406) 12.420 30.266 ( -0.483 -0.068 14.320) 14.328 30.697 ( -1.053 -2.369 -2.783) 3.803 36.616 ( -1.989 -4.202 -3.900) 6.069 36.802 ( -0.306 0.842 3.563) 3.674 37.451 ( 1.923 0.249 -1.937) 2.741 37.638 ( 1.870 2.627 1.351) 3.496 37.805 ( 1.666 9.715 2.666) 10.211 38.762 ( -1.374 -1.826 -3.912) 4.531 39.830 ( 0.623 -1.129 -7.225) 7.340 39.915 ( -2.106 -2.380 4.252) 5.309 40.554 ( 1.770 4.528 0.980) 4.959 41.295 ( -7.939 -18.935 -2.157) 20.645 42.177 ( 4.342 -0.596 -0.722) 4.442 42.710 ( 3.933 20.928 -0.753) 21.308 ======================= Grid point 392 (124/125) ======================= q-point: ( 0.44 -0.56 0.44) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( -0.000 -0.000 40.317) 40.317 4.408 ( -0.000 -0.000 15.476) 15.476 4.562 ( -0.000 -0.000 22.703) 22.703 4.836 ( -0.000 -0.000 9.937) 9.937 5.052 ( -0.000 -0.000 16.458) 16.458 5.693 ( 0.000 0.000 -0.827) 0.827 6.131 ( 0.000 0.000 -10.364) 10.364 6.770 ( 0.000 0.000 -17.228) 17.228 6.808 ( -0.000 -0.000 4.532) 4.532 7.022 ( -0.000 -0.000 17.741) 17.741 7.237 ( 0.000 0.000 -6.738) 6.738 7.419 ( 0.000 0.000 -13.780) 13.780 8.364 ( 0.000 0.000 -33.134) 33.134 8.497 ( -0.000 -0.000 3.522) 3.522 8.560 ( 0.000 0.000 -14.240) 14.240 9.142 ( 0.000 0.000 -21.548) 21.548 9.211 ( -0.000 -0.000 2.736) 2.736 9.574 ( -0.000 -0.000 7.471) 7.471 9.654 ( -0.000 -0.000 2.599) 2.599 10.158 ( 0.000 0.000 -9.876) 9.876 10.359 ( 0.000 0.000 -3.879) 3.879 10.790 ( -0.000 -0.000 5.246) 5.246 10.866 ( -0.000 -0.000 3.923) 3.923 11.607 ( 0.000 0.000 -2.717) 2.717 11.926 ( -0.000 -0.000 19.602) 19.602 11.994 ( 0.000 0.000 -6.208) 6.208 12.461 ( -0.000 -0.000 18.153) 18.153 12.466 ( -0.000 -0.000 12.934) 12.934 12.995 ( -0.000 -0.000 1.869) 1.869 13.253 ( 0.000 0.000 -0.897) 0.897 13.429 ( 0.000 0.000 -6.207) 6.207 13.606 ( 0.000 0.000 -12.577) 12.577 14.522 ( 0.000 0.000 -9.912) 9.912 14.589 ( -0.000 -0.000 13.931) 13.931 15.364 ( -0.000 -0.000 5.035) 5.035 15.447 ( -0.000 -0.000 7.161) 7.161 15.746 ( -0.000 -0.000 8.362) 8.362 15.959 ( 0.000 0.000 -25.434) 25.434 16.609 ( -0.000 -0.000 0.004) 0.004 16.749 ( 0.000 0.000 -5.453) 5.453 17.047 ( 0.000 0.000 -10.119) 10.119 17.144 ( 0.000 0.000 -16.363) 16.363 17.728 ( -0.000 -0.000 8.715) 8.715 17.808 ( -0.000 -0.000 0.172) 0.172 18.465 ( 0.000 0.000 -3.036) 3.036 18.853 ( 0.000 0.000 -2.260) 2.260 18.887 ( 0.000 0.000 -5.357) 5.357 19.320 ( -0.000 -0.000 0.201) 0.201 20.045 ( -0.000 -0.000 7.272) 7.272 20.541 ( -0.000 -0.000 6.081) 6.081 20.677 ( 0.000 0.000 -1.793) 1.793 21.102 ( 0.000 0.000 -4.531) 4.531 21.397 ( -0.000 -0.000 9.684) 9.684 21.568 ( -0.000 -0.000 3.866) 3.866 21.876 ( -0.000 -0.000 4.997) 4.997 22.015 ( 0.000 0.000 -7.139) 7.139 22.162 ( 0.000 0.000 -3.224) 3.224 26.290 ( 0.000 0.000 -4.646) 4.646 26.841 ( -0.000 -0.000 0.616) 0.616 26.959 ( -0.000 -0.000 0.277) 0.277 29.842 ( -0.000 -0.000 4.994) 4.994 30.514 ( 0.000 0.000 -11.670) 11.670 30.617 ( -0.000 -0.000 10.519) 10.519 36.548 ( -0.000 -0.000 7.659) 7.659 36.935 ( 0.000 0.000 -4.090) 4.090 37.433 ( -0.000 -0.000 3.607) 3.607 37.610 ( 0.000 0.000 -2.726) 2.726 37.667 ( 0.000 0.000 -8.264) 8.264 38.698 ( -0.000 -0.000 9.406) 9.406 39.702 ( -0.000 -0.000 9.036) 9.036 40.002 ( 0.000 0.000 -0.173) 0.173 40.509 ( 0.000 0.000 -3.218) 3.218 41.684 ( -0.000 -0.000 21.440) 21.440 41.853 ( 0.000 0.000 -1.804) 1.804 42.507 ( 0.000 0.000 -10.198) 10.198 ======================= Grid point 395 (125/125) ======================= q-point: (-0.44 0.44 0.44) 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 3.36e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.591 ( -5.247 -5.135 13.392) 15.273 4.775 ( -3.007 -1.624 15.140) 15.521 4.836 ( 1.872 1.782 3.712) 4.523 5.111 ( -10.428 -2.430 19.103) 21.900 5.436 ( -3.141 3.276 10.716) 11.637 5.626 ( 3.859 -11.450 5.987) 13.485 5.934 ( 7.300 12.000 -5.898) 15.234 6.302 ( 3.973 1.344 -33.655) 33.916 6.885 ( -5.597 -1.403 9.383) 11.015 7.031 ( -8.548 -10.790 -1.197) 13.818 7.373 ( -1.655 10.600 5.824) 12.208 7.563 ( 15.435 -4.341 11.704) 19.851 7.838 ( 0.607 6.637 -22.238) 23.215 8.249 ( 9.680 4.187 -20.034) 22.640 8.582 ( -0.899 0.407 7.236) 7.303 8.780 ( -0.996 -1.421 -16.385) 16.477 9.217 ( -0.949 -0.574 -0.195) 1.127 9.639 ( -5.948 -2.362 2.785) 6.979 9.803 ( 4.385 1.705 7.781) 9.093 9.980 ( 4.195 2.030 -10.161) 11.178 10.380 ( 1.540 1.059 2.235) 2.913 10.849 ( -4.140 -3.860 6.257) 8.437 10.933 ( -0.240 1.390 -1.234) 1.874 11.603 ( -7.102 -2.672 8.876) 11.678 11.811 ( -2.470 -2.533 -12.142) 12.647 12.136 ( -1.286 -0.965 5.378) 5.613 12.647 ( -5.626 -4.319 16.539) 17.995 12.750 ( 1.051 1.389 6.088) 6.332 12.924 ( 1.210 1.609 -8.837) 9.063 13.244 ( -4.232 -2.942 -2.852) 5.891 13.311 ( -1.024 0.002 -2.962) 3.134 13.518 ( 8.089 3.517 -1.152) 8.896 14.388 ( -0.764 0.357 -4.297) 4.379 14.884 ( 1.399 0.530 19.080) 19.139 15.216 ( -4.707 -2.494 -15.820) 16.693 15.506 ( -1.478 -0.396 -2.059) 2.566 15.798 ( 2.734 0.498 4.741) 5.496 15.876 ( 4.119 2.645 -0.283) 4.903 16.618 ( -3.533 -1.592 1.288) 4.084 16.691 ( 1.574 0.018 3.354) 3.705 16.858 ( 0.349 1.958 -11.657) 11.826 16.964 ( 7.753 3.188 -8.470) 11.917 17.807 ( -0.097 -2.449 1.692) 2.979 17.836 ( 1.585 3.257 0.742) 3.697 18.460 ( 1.770 1.065 0.460) 2.116 18.819 ( -0.475 0.114 -0.920) 1.042 18.833 ( 1.393 0.417 -1.840) 2.345 19.329 ( 0.584 0.347 0.331) 0.756 20.210 ( -0.601 -0.211 11.155) 11.173 20.422 ( -2.308 -1.197 -12.236) 12.510 20.643 ( 0.872 0.288 -1.551) 1.803 21.254 ( -0.987 -0.643 16.643) 16.684 21.503 ( -1.275 -0.824 -7.998) 8.141 21.552 ( -0.811 -0.300 4.197) 4.286 21.892 ( -1.472 -0.972 -3.757) 4.151 21.979 ( 0.425 -0.003 5.139) 5.156 22.084 ( 0.897 0.880 -5.837) 5.971 26.249 ( 1.931 1.136 -1.472) 2.681 26.875 ( -0.360 -0.337 3.279) 3.316 26.938 ( 0.875 0.620 -3.075) 3.257 30.010 ( 0.193 0.106 13.516) 13.517 30.270 ( -0.135 -0.062 -15.660) 15.661 30.732 ( -0.962 -0.571 3.511) 3.685 36.677 ( -1.319 -0.530 7.695) 7.825 36.813 ( -1.219 -1.027 -7.294) 7.466 37.458 ( -1.653 -0.454 0.920) 1.945 37.586 ( 1.593 -0.266 -0.784) 1.796 37.636 ( 6.690 4.602 -2.096) 8.386 38.804 ( -1.407 -0.724 3.628) 3.958 39.846 ( -0.720 -0.622 7.800) 7.857 39.955 ( -0.929 -0.252 -4.539) 4.640 40.483 ( 2.032 1.071 -1.105) 2.549 41.683 ( -17.383 -9.342 2.995) 19.960 42.105 ( 6.342 1.136 10.456) 12.282 42.375 ( 11.572 8.484 -9.786) 17.368 =================== 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 3/54675 10.0 4808.808 4808.808 2334.834 0.000 -0.000 -0.000 3/54675 20.0 2460.366 2460.366 2793.318 0.000 -0.000 -0.000 3/54675 30.0 966.076 966.076 1499.699 0.000 -0.000 -0.000 3/54675 40.0 466.617 466.617 841.981 0.000 -0.000 -0.000 3/54675 50.0 268.688 268.688 521.059 0.000 -0.000 -0.000 3/54675 60.0 172.189 172.189 347.509 0.000 -0.000 -0.000 3/54675 70.0 118.973 118.973 246.176 0.000 -0.000 -0.000 3/54675 80.0 87.003 87.003 183.149 0.000 -0.000 -0.000 3/54675 90.0 66.498 66.498 141.767 0.000 -0.000 -0.000 3/54675 100.0 52.646 52.646 113.328 0.000 -0.000 -0.000 3/54675 110.0 42.889 42.889 93.025 0.000 -0.000 -0.000 3/54675 120.0 35.774 35.774 78.058 0.000 -0.000 -0.000 3/54675 130.0 30.434 30.434 66.720 0.000 -0.000 -0.000 3/54675 140.0 26.324 26.324 57.930 0.000 -0.000 -0.000 3/54675 150.0 23.094 23.094 50.975 0.000 -0.000 -0.000 3/54675 160.0 20.508 20.508 45.374 0.000 -0.000 -0.000 3/54675 170.0 18.401 18.401 40.794 0.000 -0.000 -0.000 3/54675 180.0 16.662 16.662 36.994 0.000 -0.000 -0.000 3/54675 190.0 15.206 15.206 33.805 0.000 -0.000 -0.000 3/54675 200.0 13.973 13.973 31.097 0.000 -0.000 -0.000 3/54675 210.0 12.919 12.919 28.774 0.000 -0.000 -0.000 3/54675 220.0 12.008 12.008 26.765 0.000 -0.000 -0.000 3/54675 230.0 11.215 11.215 25.011 0.000 -0.000 -0.000 3/54675 240.0 10.519 10.519 23.470 0.000 -0.000 -0.000 3/54675 250.0 9.904 9.904 22.107 0.000 -0.000 -0.000 3/54675 260.0 9.356 9.356 20.892 0.000 -0.000 -0.000 3/54675 270.0 8.867 8.867 19.804 0.000 -0.000 -0.000 3/54675 280.0 8.426 8.426 18.825 0.000 -0.000 -0.000 3/54675 290.0 8.028 8.028 17.939 0.000 -0.000 -0.000 3/54675 300.0 7.666 7.666 17.134 0.000 -0.000 -0.000 3/54675 310.0 7.337 7.337 16.400 0.000 -0.000 -0.000 3/54675 320.0 7.035 7.035 15.727 0.000 -0.000 -0.000 3/54675 330.0 6.757 6.757 15.108 0.000 -0.000 -0.000 3/54675 340.0 6.501 6.501 14.538 0.000 -0.000 -0.000 3/54675 350.0 6.265 6.265 14.010 0.000 -0.000 -0.000 3/54675 360.0 6.045 6.045 13.520 0.000 -0.000 -0.000 3/54675 370.0 5.841 5.841 13.065 0.000 -0.000 -0.000 3/54675 380.0 5.651 5.651 12.640 0.000 -0.000 -0.000 3/54675 390.0 5.473 5.473 12.243 0.000 -0.000 -0.000 3/54675 400.0 5.307 5.307 11.870 0.000 -0.000 -0.000 3/54675 410.0 5.151 5.151 11.521 0.000 -0.000 -0.000 3/54675 420.0 5.004 5.004 11.192 0.000 -0.000 -0.000 3/54675 430.0 4.865 4.865 10.883 0.000 -0.000 -0.000 3/54675 440.0 4.734 4.734 10.590 0.000 -0.000 -0.000 3/54675 450.0 4.611 4.611 10.314 0.000 -0.000 -0.000 3/54675 460.0 4.494 4.494 10.052 0.000 -0.000 -0.000 3/54675 470.0 4.383 4.383 9.804 0.000 -0.000 -0.000 3/54675 480.0 4.277 4.277 9.568 0.000 -0.000 -0.000 3/54675 490.0 4.177 4.177 9.343 0.000 -0.000 -0.000 3/54675 500.0 4.082 4.082 9.130 0.000 -0.000 -0.000 3/54675 510.0 3.991 3.991 8.926 0.000 -0.000 -0.000 3/54675 520.0 3.904 3.904 8.731 0.000 -0.000 -0.000 3/54675 530.0 3.821 3.821 8.545 0.000 -0.000 -0.000 3/54675 540.0 3.741 3.741 8.367 0.000 -0.000 -0.000 3/54675 550.0 3.665 3.665 8.197 0.000 -0.000 -0.000 3/54675 560.0 3.592 3.592 8.034 0.000 -0.000 -0.000 3/54675 570.0 3.522 3.522 7.877 0.000 -0.000 -0.000 3/54675 580.0 3.455 3.455 7.727 0.000 -0.000 -0.000 3/54675 590.0 3.391 3.391 7.582 0.000 -0.000 -0.000 3/54675 600.0 3.329 3.329 7.443 0.000 -0.000 -0.000 3/54675 610.0 3.269 3.269 7.309 0.000 -0.000 -0.000 3/54675 620.0 3.211 3.211 7.180 0.000 -0.000 -0.000 3/54675 630.0 3.156 3.156 7.056 0.000 -0.000 -0.000 3/54675 640.0 3.102 3.102 6.936 0.000 -0.000 -0.000 3/54675 650.0 3.051 3.051 6.820 0.000 -0.000 -0.000 3/54675 660.0 3.001 3.001 6.708 0.000 -0.000 -0.000 3/54675 670.0 2.952 2.952 6.600 0.000 -0.000 -0.000 3/54675 680.0 2.906 2.906 6.495 0.000 -0.000 -0.000 3/54675 690.0 2.861 2.861 6.394 0.000 -0.000 -0.000 3/54675 700.0 2.817 2.817 6.296 0.000 -0.000 -0.000 3/54675 710.0 2.775 2.775 6.201 0.000 -0.000 -0.000 3/54675 720.0 2.733 2.733 6.109 0.000 -0.000 -0.000 3/54675 730.0 2.694 2.694 6.020 0.000 -0.000 -0.000 3/54675 740.0 2.655 2.655 5.933 0.000 -0.000 -0.000 3/54675 750.0 2.617 2.617 5.849 0.000 -0.000 -0.000 3/54675 760.0 2.581 2.581 5.767 0.000 -0.000 -0.000 3/54675 770.0 2.546 2.546 5.688 0.000 -0.000 -0.000 3/54675 780.0 2.511 2.511 5.611 0.000 -0.000 -0.000 3/54675 790.0 2.478 2.478 5.536 0.000 -0.000 -0.000 3/54675 800.0 2.445 2.445 5.463 0.000 -0.000 -0.000 3/54675 810.0 2.413 2.413 5.392 0.000 -0.000 -0.000 3/54675 820.0 2.382 2.382 5.322 0.000 -0.000 -0.000 3/54675 830.0 2.352 2.352 5.255 0.000 -0.000 -0.000 3/54675 840.0 2.323 2.323 5.189 0.000 -0.000 -0.000 3/54675 850.0 2.295 2.295 5.125 0.000 -0.000 -0.000 3/54675 860.0 2.267 2.267 5.063 0.000 -0.000 -0.000 3/54675 870.0 2.240 2.240 5.002 0.000 -0.000 -0.000 3/54675 880.0 2.213 2.213 4.943 0.000 -0.000 -0.000 3/54675 890.0 2.187 2.187 4.885 0.000 -0.000 -0.000 3/54675 900.0 2.162 2.162 4.828 0.000 -0.000 -0.000 3/54675 910.0 2.137 2.137 4.773 0.000 -0.000 -0.000 3/54675 920.0 2.113 2.113 4.719 0.000 -0.000 -0.000 3/54675 930.0 2.090 2.090 4.667 0.000 -0.000 -0.000 3/54675 940.0 2.067 2.067 4.615 0.000 -0.000 -0.000 3/54675 950.0 2.044 2.044 4.565 0.000 -0.000 -0.000 3/54675 960.0 2.022 2.022 4.515 0.000 -0.000 -0.000 3/54675 970.0 2.001 2.001 4.467 0.000 -0.000 -0.000 3/54675 980.0 1.980 1.980 4.420 0.000 -0.000 -0.000 3/54675 990.0 1.959 1.959 4.374 0.000 -0.000 -0.000 3/54675 1000.0 1.939 1.939 4.329 0.000 -0.000 -0.000 3/54675 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:20:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|