----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:24:33]------------------------- 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: R-3 (148) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.866676598872751 2.809777044418029 3.096236669999997 b -4.866676598872741 2.809777044418029 3.096236669999997 c 0.000000000000005 -5.619554088836067 3.096236669999997 Atomic positions (fractional): *1 Y 0.68488778859351 0.38992870981208 0.85545856736551 88.906 2 Y 0.14454143263449 0.31511221140650 0.61007129018793 88.906 3 Y 0.61007129018793 0.14454143263449 0.31511221140650 88.906 4 Y 0.38992870981207 0.85545856736552 0.68488778859350 88.906 5 Y 0.85545856736552 0.68488778859351 0.38992870981207 88.906 6 Y 0.31511221140650 0.61007129018793 0.14454143263449 88.906 *7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *8 O 0.70090408169043 0.03394849649839 0.93022204260263 15.999 9 O 0.06977795739737 0.29909591830957 0.96605150350161 15.999 *10 O 0.43335559732141 0.17711942824424 0.59299764067151 15.999 11 O 0.40700235932849 0.56664440267859 0.82288057175576 15.999 12 O 0.96605150350161 0.06977795739737 0.29909591830957 15.999 13 O 0.82288057175576 0.40700235932849 0.56664440267859 15.999 14 O 0.17711942824424 0.59299764067151 0.43335559732141 15.999 15 O 0.03394849649839 0.93022204260263 0.70090408169043 15.999 16 O 0.59299764067151 0.43335559732141 0.17711942824424 15.999 17 O 0.56664440267859 0.82288057175576 0.40700235932849 15.999 18 O 0.93022204260263 0.70090408169043 0.03394849649839 15.999 19 O 0.29909591830957 0.96605150350161 0.06977795739737 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.733353197745492 0.000000000000000 0.000000000000000 b -4.866676598872746 8.429331133254097 0.000000000000000 c 0.000000000000000 0.000000000000000 9.288710009999999 Atomic positions (fractional): *1 Y 0.04146276666981 0.78796645455818 0.64342502192370 88.906 > 1 2 Y 0.78796645455818 0.74650368788838 0.35657497807630 88.906 > 2 3 Y 0.25349631211162 0.04146276666981 0.35657497807630 88.906 > 3 4 Y 0.74650368788838 0.95853723333019 0.64342502192370 88.906 > 4 5 Y 0.21203354544182 0.25349631211162 0.64342502192370 88.906 > 5 6 Y 0.95853723333019 0.21203354544182 0.35657497807630 88.906 > 6 7 Y 0.70812943333647 0.12129978789152 0.97675835525703 88.906 > 1 8 Y 0.45463312122485 0.07983702122171 0.68990831140963 88.906 > 2 9 Y 0.92016297877829 0.37479610000314 0.68990831140963 88.906 > 3 10 Y 0.41317035455504 0.29187056666353 0.97675835525703 88.906 > 4 11 Y 0.87870021210848 0.58682964544496 0.97675835525703 88.906 > 5 12 Y 0.62520389999686 0.54536687877515 0.68990831140963 88.906 > 6 13 Y 0.37479610000314 0.45463312122485 0.31009168859037 88.906 > 1 14 Y 0.12129978789152 0.41317035455504 0.02324164474297 88.906 > 2 15 Y 0.58682964544496 0.70812943333647 0.02324164474297 88.906 > 3 16 Y 0.07983702122171 0.62520389999686 0.31009168859037 88.906 > 4 17 Y 0.54536687877515 0.92016297877829 0.31009168859037 88.906 > 5 18 Y 0.29187056666353 0.87870021210848 0.02324164474297 88.906 > 6 *19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 7 20 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 7 21 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 7 *22 O 0.14587920809328 0.62480283099452 0.55502487359715 15.999 > 8 23 O 0.62480283099452 0.47892362290124 0.44497512640285 15.999 > 9 *24 O 0.03219804190902 0.80815991474088 0.40115755541239 15.999 > 10 25 O 0.80815991474088 0.77596187283186 0.59884244458761 15.999 > 11 26 O 0.52107637709876 0.14587920809328 0.44497512640285 15.999 > 12 27 O 0.22403812716815 0.03219804190902 0.59884244458761 15.999 > 13 28 O 0.77596187283186 0.96780195809098 0.40115755541239 15.999 > 14 29 O 0.47892362290124 0.85412079190672 0.55502487359715 15.999 > 15 30 O 0.19184008525912 0.22403812716815 0.40115755541239 15.999 > 16 31 O 0.96780195809098 0.19184008525912 0.59884244458761 15.999 > 17 32 O 0.37519716900548 0.52107637709876 0.55502487359715 15.999 > 18 33 O 0.85412079190672 0.37519716900548 0.44497512640285 15.999 > 19 34 O 0.81254587475995 0.95813616432785 0.88835820693048 15.999 > 8 35 O 0.29146949766119 0.81225695623457 0.77830845973618 15.999 > 9 36 O 0.69886470857569 0.14149324807421 0.73449088874572 15.999 > 10 37 O 0.47482658140754 0.10929520616519 0.93217577792095 15.999 > 11 38 O 0.18774304376543 0.47921254142661 0.77830845973618 15.999 > 12 39 O 0.89070479383481 0.36553137524236 0.93217577792095 15.999 > 13 40 O 0.44262853949852 0.30113529142431 0.73449088874572 15.999 > 14 41 O 0.14559028956791 0.18745412524005 0.88835820693048 15.999 > 15 42 O 0.85850675192579 0.55737146050148 0.73449088874572 15.999 > 16 43 O 0.63446862475764 0.52517341859246 0.93217577792095 15.999 > 17 44 O 0.04186383567215 0.85440971043209 0.88835820693048 15.999 > 18 45 O 0.52078745857339 0.70853050233881 0.77830845973618 15.999 > 19 46 O 0.47921254142661 0.29146949766119 0.22169154026382 15.999 > 8 47 O 0.95813616432785 0.14559028956791 0.11164179306952 15.999 > 9 48 O 0.36553137524236 0.47482658140754 0.06782422207905 15.999 > 10 49 O 0.14149324807421 0.44262853949852 0.26550911125428 15.999 > 11 50 O 0.85440971043209 0.81254587475995 0.11164179306952 15.999 > 12 51 O 0.55737146050148 0.69886470857569 0.26550911125428 15.999 > 13 52 O 0.10929520616519 0.63446862475764 0.06782422207905 15.999 > 14 53 O 0.81225695623457 0.52078745857339 0.22169154026382 15.999 > 15 54 O 0.52517341859246 0.89070479383481 0.06782422207905 15.999 > 16 55 O 0.30113529142431 0.85850675192579 0.26550911125428 15.999 > 17 56 O 0.70853050233881 0.18774304376543 0.22169154026382 15.999 > 18 57 O 0.18745412524005 0.04186383567215 0.11164179306952 15.999 > 19 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.733353197745492 0.000000000000000 0.000000000000000 b -4.866676598872746 8.429331133254097 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577420019999998 Atomic positions (fractional): *1 Y 0.04146276666981 0.78796645455818 0.32171251096185 88.906 > 1 2 Y 0.04146276666981 0.78796645455818 0.82171251096185 88.906 > 1 3 Y 0.78796645455818 0.74650368788838 0.17828748903815 88.906 > 2 4 Y 0.78796645455818 0.74650368788838 0.67828748903815 88.906 > 2 5 Y 0.25349631211162 0.04146276666981 0.17828748903815 88.906 > 3 6 Y 0.25349631211162 0.04146276666981 0.67828748903815 88.906 > 3 7 Y 0.74650368788838 0.95853723333019 0.32171251096185 88.906 > 4 8 Y 0.74650368788838 0.95853723333019 0.82171251096185 88.906 > 4 9 Y 0.21203354544182 0.25349631211162 0.32171251096185 88.906 > 5 10 Y 0.21203354544182 0.25349631211162 0.82171251096185 88.906 > 5 11 Y 0.95853723333019 0.21203354544182 0.17828748903815 88.906 > 6 12 Y 0.95853723333019 0.21203354544182 0.67828748903815 88.906 > 6 13 Y 0.70812943333647 0.12129978789152 0.48837917762852 88.906 > 1 14 Y 0.70812943333647 0.12129978789152 0.98837917762852 88.906 > 1 15 Y 0.45463312122485 0.07983702122171 0.34495415570482 88.906 > 2 16 Y 0.45463312122485 0.07983702122171 0.84495415570482 88.906 > 2 17 Y 0.92016297877829 0.37479610000314 0.34495415570482 88.906 > 3 18 Y 0.92016297877829 0.37479610000314 0.84495415570482 88.906 > 3 19 Y 0.41317035455504 0.29187056666353 0.48837917762852 88.906 > 4 20 Y 0.41317035455504 0.29187056666353 0.98837917762852 88.906 > 4 21 Y 0.87870021210848 0.58682964544496 0.48837917762852 88.906 > 5 22 Y 0.87870021210848 0.58682964544496 0.98837917762852 88.906 > 5 23 Y 0.62520389999686 0.54536687877515 0.34495415570482 88.906 > 6 24 Y 0.62520389999686 0.54536687877515 0.84495415570482 88.906 > 6 25 Y 0.37479610000314 0.45463312122485 0.15504584429518 88.906 > 1 26 Y 0.37479610000314 0.45463312122485 0.65504584429518 88.906 > 1 27 Y 0.12129978789152 0.41317035455504 0.01162082237148 88.906 > 2 28 Y 0.12129978789152 0.41317035455504 0.51162082237148 88.906 > 2 29 Y 0.58682964544496 0.70812943333647 0.01162082237148 88.906 > 3 30 Y 0.58682964544496 0.70812943333647 0.51162082237148 88.906 > 3 31 Y 0.07983702122171 0.62520389999686 0.15504584429518 88.906 > 4 32 Y 0.07983702122171 0.62520389999686 0.65504584429518 88.906 > 4 33 Y 0.54536687877515 0.92016297877829 0.15504584429518 88.906 > 5 34 Y 0.54536687877515 0.92016297877829 0.65504584429518 88.906 > 5 35 Y 0.29187056666353 0.87870021210848 0.01162082237148 88.906 > 6 36 Y 0.29187056666353 0.87870021210848 0.51162082237148 88.906 > 6 *37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 7 38 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 7 39 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 7 40 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 7 41 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 7 42 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 7 *43 O 0.14587920809328 0.62480283099452 0.27751243679858 15.999 > 8 44 O 0.14587920809328 0.62480283099452 0.77751243679858 15.999 > 8 45 O 0.62480283099452 0.47892362290124 0.22248756320142 15.999 > 9 46 O 0.62480283099452 0.47892362290124 0.72248756320142 15.999 > 9 *47 O 0.03219804190902 0.80815991474088 0.20057877770619 15.999 > 10 48 O 0.03219804190902 0.80815991474088 0.70057877770619 15.999 > 10 49 O 0.80815991474088 0.77596187283186 0.29942122229381 15.999 > 11 50 O 0.80815991474088 0.77596187283186 0.79942122229381 15.999 > 11 51 O 0.52107637709876 0.14587920809328 0.22248756320142 15.999 > 12 52 O 0.52107637709876 0.14587920809328 0.72248756320142 15.999 > 12 53 O 0.22403812716815 0.03219804190902 0.29942122229381 15.999 > 13 54 O 0.22403812716815 0.03219804190902 0.79942122229381 15.999 > 13 55 O 0.77596187283186 0.96780195809098 0.20057877770619 15.999 > 14 56 O 0.77596187283186 0.96780195809098 0.70057877770619 15.999 > 14 57 O 0.47892362290124 0.85412079190672 0.27751243679858 15.999 > 15 58 O 0.47892362290124 0.85412079190672 0.77751243679858 15.999 > 15 59 O 0.19184008525912 0.22403812716815 0.20057877770619 15.999 > 16 60 O 0.19184008525912 0.22403812716815 0.70057877770619 15.999 > 16 61 O 0.96780195809098 0.19184008525912 0.29942122229381 15.999 > 17 62 O 0.96780195809098 0.19184008525912 0.79942122229381 15.999 > 17 63 O 0.37519716900548 0.52107637709876 0.27751243679858 15.999 > 18 64 O 0.37519716900548 0.52107637709876 0.77751243679858 15.999 > 18 65 O 0.85412079190672 0.37519716900548 0.22248756320142 15.999 > 19 66 O 0.85412079190672 0.37519716900548 0.72248756320142 15.999 > 19 67 O 0.81254587475995 0.95813616432785 0.44417910346524 15.999 > 8 68 O 0.81254587475995 0.95813616432785 0.94417910346524 15.999 > 8 69 O 0.29146949766119 0.81225695623457 0.38915422986809 15.999 > 9 70 O 0.29146949766119 0.81225695623457 0.88915422986809 15.999 > 9 71 O 0.69886470857569 0.14149324807421 0.36724544437286 15.999 > 10 72 O 0.69886470857569 0.14149324807421 0.86724544437286 15.999 > 10 73 O 0.47482658140754 0.10929520616519 0.46608788896047 15.999 > 11 74 O 0.47482658140754 0.10929520616519 0.96608788896047 15.999 > 11 75 O 0.18774304376543 0.47921254142661 0.38915422986809 15.999 > 12 76 O 0.18774304376543 0.47921254142661 0.88915422986809 15.999 > 12 77 O 0.89070479383481 0.36553137524236 0.46608788896047 15.999 > 13 78 O 0.89070479383481 0.36553137524236 0.96608788896047 15.999 > 13 79 O 0.44262853949852 0.30113529142431 0.36724544437286 15.999 > 14 80 O 0.44262853949852 0.30113529142431 0.86724544437286 15.999 > 14 81 O 0.14559028956791 0.18745412524005 0.44417910346524 15.999 > 15 82 O 0.14559028956791 0.18745412524005 0.94417910346524 15.999 > 15 83 O 0.85850675192579 0.55737146050148 0.36724544437286 15.999 > 16 84 O 0.85850675192579 0.55737146050148 0.86724544437286 15.999 > 16 85 O 0.63446862475764 0.52517341859246 0.46608788896047 15.999 > 17 86 O 0.63446862475764 0.52517341859246 0.96608788896047 15.999 > 17 87 O 0.04186383567215 0.85440971043209 0.44417910346524 15.999 > 18 88 O 0.04186383567215 0.85440971043209 0.94417910346524 15.999 > 18 89 O 0.52078745857339 0.70853050233881 0.38915422986809 15.999 > 19 90 O 0.52078745857339 0.70853050233881 0.88915422986809 15.999 > 19 91 O 0.47921254142661 0.29146949766119 0.11084577013191 15.999 > 8 92 O 0.47921254142661 0.29146949766119 0.61084577013191 15.999 > 8 93 O 0.95813616432785 0.14559028956791 0.05582089653476 15.999 > 9 94 O 0.95813616432785 0.14559028956791 0.55582089653476 15.999 > 9 95 O 0.36553137524236 0.47482658140754 0.03391211103953 15.999 > 10 96 O 0.36553137524236 0.47482658140754 0.53391211103953 15.999 > 10 97 O 0.14149324807421 0.44262853949852 0.13275455562714 15.999 > 11 98 O 0.14149324807421 0.44262853949852 0.63275455562714 15.999 > 11 99 O 0.85440971043209 0.81254587475995 0.05582089653476 15.999 > 12 100 O 0.85440971043209 0.81254587475995 0.55582089653476 15.999 > 12 101 O 0.55737146050148 0.69886470857569 0.13275455562714 15.999 > 13 102 O 0.55737146050148 0.69886470857569 0.63275455562714 15.999 > 13 103 O 0.10929520616519 0.63446862475764 0.03391211103953 15.999 > 14 104 O 0.10929520616519 0.63446862475764 0.53391211103953 15.999 > 14 105 O 0.81225695623457 0.52078745857339 0.11084577013191 15.999 > 15 106 O 0.81225695623457 0.52078745857339 0.61084577013191 15.999 > 15 107 O 0.52517341859246 0.89070479383481 0.03391211103953 15.999 > 16 108 O 0.52517341859246 0.89070479383481 0.53391211103953 15.999 > 16 109 O 0.30113529142431 0.85850675192579 0.13275455562714 15.999 > 17 110 O 0.30113529142431 0.85850675192579 0.63275455562714 15.999 > 17 111 O 0.70853050233881 0.18774304376543 0.11084577013191 15.999 > 18 112 O 0.70853050233881 0.18774304376543 0.61084577013191 15.999 > 18 113 O 0.18745412524005 0.04186383567215 0.05582089653476 15.999 > 19 114 O 0.18745412524005 0.04186383567215 0.55582089653476 15.999 > 19 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2524714 -0.0000007 0.0000000 0.0000007 4.2524714 0.0000000 0.0000000 0.0000000 4.1491980 -------------------------- Born effective charges -------------------------- 1 Y 3.8013135 0.2944674 -0.1409722 0.3626615 3.7412355 -0.2654038 -0.0029097 -0.4570415 3.7989022 2 Y 4.0408002 -0.2243938 0.3003325 -0.1561997 3.5017488 0.0106164 0.3972644 0.2260009 3.7989022 3 Y 3.4717098 -0.1723647 -0.1593604 -0.1041706 4.0708392 0.2547874 -0.3943547 0.2310406 3.7989022 4 Y 3.4717098 -0.1723647 -0.1593604 -0.1041706 4.0708392 0.2547874 -0.3943547 0.2310406 3.7989022 5 Y 4.0408002 -0.2243938 0.3003325 -0.1561997 3.5017488 0.0106164 0.3972644 0.2260009 3.7989022 6 Y 3.8013135 0.2944674 -0.1409722 0.3626615 3.7412355 -0.2654038 -0.0029097 -0.4570415 3.7989022 7 Te 5.4922796 0.0889276 -0.0000000 -0.0889276 5.4922796 -0.0000000 -0.0000000 -0.0000000 4.4774668 8 O -2.4364668 0.0099581 -0.3897381 -0.0160670 -1.7329106 -0.0420109 -0.5005394 -0.0443093 -2.2308525 9 O -1.9114449 0.3191885 0.2312516 0.2931634 -2.2579325 -0.3165177 0.2886426 -0.4113252 -2.2308525 10 O -2.7689318 -0.1894850 0.0882149 -0.2020116 -2.4349996 -0.1425548 -0.0011070 -0.1087053 -2.3142942 11 O -2.6880056 0.2487343 0.0793486 0.2362078 -2.5159258 0.1476737 0.0946951 0.0533940 -2.3142942 12 O -1.9061544 -0.2901090 0.1584866 -0.3161340 -2.2632230 0.3585286 0.2118968 0.4556345 -2.2308525 13 O -2.3489596 -0.0404595 -0.1675635 -0.0529860 -2.8549718 -0.0051190 -0.0935881 0.0553113 -2.3142942 14 O -2.3489596 -0.0404595 -0.1675635 -0.0529860 -2.8549718 -0.0051190 -0.0935881 0.0553113 -2.3142942 15 O -1.9061544 -0.2901090 0.1584866 -0.3161340 -2.2632230 0.3585286 0.2118968 0.4556345 -2.2308525 16 O -2.6880056 0.2487343 0.0793486 0.2362078 -2.5159258 0.1476737 0.0946951 0.0533940 -2.3142942 17 O -2.7689318 -0.1894850 0.0882149 -0.2020116 -2.4349996 -0.1425548 -0.0011070 -0.1087053 -2.3142942 18 O -1.9114449 0.3191885 0.2312516 0.2931634 -2.2579325 -0.3165177 0.2886426 -0.4113252 -2.2308525 19 O -2.4364668 0.0099581 -0.3897381 -0.0160670 -1.7329106 -0.0420109 -0.5005394 -0.0443093 -2.2308525 ---------------------------------------------------------------------------- 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: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 760 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 235 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 13), data: (748, 26) @ (26, 13) |-- (248, 235), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 238), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 114 / 114 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 2.530 Solver_block: 200 / 400 - Time: 2.545 Solver_block: 300 / 400 - Time: 2.547 Solver_block: 400 / 400 - Time: 2.541 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.206 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 760 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 235 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 13), data: (748, 26) @ (26, 13) |-- (248, 235), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 238), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:25:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:02]------------------------- 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: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.866676598872751 2.809777044418029 3.096236669999997 b -4.866676598872741 2.809777044418029 3.096236669999997 c 0.000000000000005 -5.619554088836067 3.096236669999997 Atomic positions (fractional): 1 Y 0.68488778859351 0.38992870981208 0.85545856736551 88.906 2 Y 0.14454143263449 0.31511221140650 0.61007129018793 88.906 3 Y 0.61007129018793 0.14454143263449 0.31511221140650 88.906 4 Y 0.38992870981207 0.85545856736552 0.68488778859350 88.906 5 Y 0.85545856736552 0.68488778859351 0.38992870981207 88.906 6 Y 0.31511221140650 0.61007129018793 0.14454143263449 88.906 7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 O 0.70090408169043 0.03394849649839 0.93022204260263 15.999 9 O 0.06977795739737 0.29909591830957 0.96605150350161 15.999 10 O 0.43335559732141 0.17711942824424 0.59299764067151 15.999 11 O 0.40700235932849 0.56664440267859 0.82288057175576 15.999 12 O 0.96605150350161 0.06977795739737 0.29909591830957 15.999 13 O 0.82288057175576 0.40700235932849 0.56664440267859 15.999 14 O 0.17711942824424 0.59299764067151 0.43335559732141 15.999 15 O 0.03394849649839 0.93022204260263 0.70090408169043 15.999 16 O 0.59299764067151 0.43335559732141 0.17711942824424 15.999 17 O 0.56664440267859 0.82288057175576 0.40700235932849 15.999 18 O 0.93022204260263 0.70090408169043 0.03394849649839 15.999 19 O 0.29909591830957 0.96605150350161 0.06977795739737 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.733353197745492 0.000000000000000 0.000000000000000 b -4.866676598872746 8.429331133254097 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577420019999998 Atomic positions (fractional): 1 Y 0.04146276666981 0.78796645455818 0.32171251096185 88.906 > 1 2 Y 0.04146276666981 0.78796645455818 0.82171251096185 88.906 > 1 3 Y 0.78796645455818 0.74650368788838 0.17828748903815 88.906 > 3 4 Y 0.78796645455818 0.74650368788838 0.67828748903815 88.906 > 3 5 Y 0.25349631211162 0.04146276666981 0.17828748903815 88.906 > 5 6 Y 0.25349631211162 0.04146276666981 0.67828748903815 88.906 > 5 7 Y 0.74650368788838 0.95853723333019 0.32171251096185 88.906 > 7 8 Y 0.74650368788838 0.95853723333019 0.82171251096185 88.906 > 7 9 Y 0.21203354544182 0.25349631211162 0.32171251096185 88.906 > 9 10 Y 0.21203354544182 0.25349631211162 0.82171251096185 88.906 > 9 11 Y 0.95853723333019 0.21203354544182 0.17828748903815 88.906 > 11 12 Y 0.95853723333019 0.21203354544182 0.67828748903815 88.906 > 11 13 Y 0.70812943333647 0.12129978789152 0.48837917762852 88.906 > 1 14 Y 0.70812943333647 0.12129978789152 0.98837917762852 88.906 > 1 15 Y 0.45463312122485 0.07983702122171 0.34495415570482 88.906 > 3 16 Y 0.45463312122485 0.07983702122171 0.84495415570482 88.906 > 3 17 Y 0.92016297877829 0.37479610000314 0.34495415570482 88.906 > 5 18 Y 0.92016297877829 0.37479610000314 0.84495415570482 88.906 > 5 19 Y 0.41317035455504 0.29187056666353 0.48837917762852 88.906 > 7 20 Y 0.41317035455504 0.29187056666353 0.98837917762852 88.906 > 7 21 Y 0.87870021210848 0.58682964544496 0.48837917762852 88.906 > 9 22 Y 0.87870021210848 0.58682964544496 0.98837917762852 88.906 > 9 23 Y 0.62520389999686 0.54536687877515 0.34495415570482 88.906 > 11 24 Y 0.62520389999686 0.54536687877515 0.84495415570482 88.906 > 11 25 Y 0.37479610000314 0.45463312122485 0.15504584429518 88.906 > 1 26 Y 0.37479610000314 0.45463312122485 0.65504584429518 88.906 > 1 27 Y 0.12129978789152 0.41317035455504 0.01162082237148 88.906 > 3 28 Y 0.12129978789152 0.41317035455504 0.51162082237148 88.906 > 3 29 Y 0.58682964544496 0.70812943333647 0.01162082237148 88.906 > 5 30 Y 0.58682964544496 0.70812943333647 0.51162082237148 88.906 > 5 31 Y 0.07983702122171 0.62520389999686 0.15504584429518 88.906 > 7 32 Y 0.07983702122171 0.62520389999686 0.65504584429518 88.906 > 7 33 Y 0.54536687877515 0.92016297877829 0.15504584429518 88.906 > 9 34 Y 0.54536687877515 0.92016297877829 0.65504584429518 88.906 > 9 35 Y 0.29187056666353 0.87870021210848 0.01162082237148 88.906 > 11 36 Y 0.29187056666353 0.87870021210848 0.51162082237148 88.906 > 11 37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 37 38 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 39 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 37 40 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 37 41 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 37 42 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 37 43 O 0.14587920809328 0.62480283099452 0.27751243679858 15.999 > 43 44 O 0.14587920809328 0.62480283099452 0.77751243679858 15.999 > 43 45 O 0.62480283099452 0.47892362290124 0.22248756320142 15.999 > 45 46 O 0.62480283099452 0.47892362290124 0.72248756320142 15.999 > 45 47 O 0.03219804190902 0.80815991474088 0.20057877770619 15.999 > 47 48 O 0.03219804190902 0.80815991474088 0.70057877770619 15.999 > 47 49 O 0.80815991474088 0.77596187283186 0.29942122229381 15.999 > 49 50 O 0.80815991474088 0.77596187283186 0.79942122229381 15.999 > 49 51 O 0.52107637709876 0.14587920809328 0.22248756320142 15.999 > 51 52 O 0.52107637709876 0.14587920809328 0.72248756320142 15.999 > 51 53 O 0.22403812716815 0.03219804190902 0.29942122229381 15.999 > 53 54 O 0.22403812716815 0.03219804190902 0.79942122229381 15.999 > 53 55 O 0.77596187283186 0.96780195809098 0.20057877770619 15.999 > 55 56 O 0.77596187283186 0.96780195809098 0.70057877770619 15.999 > 55 57 O 0.47892362290124 0.85412079190672 0.27751243679858 15.999 > 57 58 O 0.47892362290124 0.85412079190672 0.77751243679858 15.999 > 57 59 O 0.19184008525912 0.22403812716815 0.20057877770619 15.999 > 59 60 O 0.19184008525912 0.22403812716815 0.70057877770619 15.999 > 59 61 O 0.96780195809098 0.19184008525912 0.29942122229381 15.999 > 61 62 O 0.96780195809098 0.19184008525912 0.79942122229381 15.999 > 61 63 O 0.37519716900548 0.52107637709876 0.27751243679858 15.999 > 63 64 O 0.37519716900548 0.52107637709876 0.77751243679858 15.999 > 63 65 O 0.85412079190672 0.37519716900548 0.22248756320142 15.999 > 65 66 O 0.85412079190672 0.37519716900548 0.72248756320142 15.999 > 65 67 O 0.81254587475995 0.95813616432785 0.44417910346524 15.999 > 43 68 O 0.81254587475995 0.95813616432785 0.94417910346524 15.999 > 43 69 O 0.29146949766119 0.81225695623457 0.38915422986809 15.999 > 45 70 O 0.29146949766119 0.81225695623457 0.88915422986809 15.999 > 45 71 O 0.69886470857569 0.14149324807421 0.36724544437286 15.999 > 47 72 O 0.69886470857569 0.14149324807421 0.86724544437286 15.999 > 47 73 O 0.47482658140754 0.10929520616519 0.46608788896047 15.999 > 49 74 O 0.47482658140754 0.10929520616519 0.96608788896047 15.999 > 49 75 O 0.18774304376543 0.47921254142661 0.38915422986809 15.999 > 51 76 O 0.18774304376543 0.47921254142661 0.88915422986809 15.999 > 51 77 O 0.89070479383481 0.36553137524236 0.46608788896047 15.999 > 53 78 O 0.89070479383481 0.36553137524236 0.96608788896047 15.999 > 53 79 O 0.44262853949852 0.30113529142431 0.36724544437286 15.999 > 55 80 O 0.44262853949852 0.30113529142431 0.86724544437286 15.999 > 55 81 O 0.14559028956791 0.18745412524005 0.44417910346524 15.999 > 57 82 O 0.14559028956791 0.18745412524005 0.94417910346524 15.999 > 57 83 O 0.85850675192579 0.55737146050148 0.36724544437286 15.999 > 59 84 O 0.85850675192579 0.55737146050148 0.86724544437286 15.999 > 59 85 O 0.63446862475764 0.52517341859246 0.46608788896047 15.999 > 61 86 O 0.63446862475764 0.52517341859246 0.96608788896047 15.999 > 61 87 O 0.04186383567215 0.85440971043209 0.44417910346524 15.999 > 63 88 O 0.04186383567215 0.85440971043209 0.94417910346524 15.999 > 63 89 O 0.52078745857339 0.70853050233881 0.38915422986809 15.999 > 65 90 O 0.52078745857339 0.70853050233881 0.88915422986809 15.999 > 65 91 O 0.47921254142661 0.29146949766119 0.11084577013191 15.999 > 43 92 O 0.47921254142661 0.29146949766119 0.61084577013191 15.999 > 43 93 O 0.95813616432785 0.14559028956791 0.05582089653476 15.999 > 45 94 O 0.95813616432785 0.14559028956791 0.55582089653476 15.999 > 45 95 O 0.36553137524236 0.47482658140754 0.03391211103953 15.999 > 47 96 O 0.36553137524236 0.47482658140754 0.53391211103953 15.999 > 47 97 O 0.14149324807421 0.44262853949852 0.13275455562714 15.999 > 49 98 O 0.14149324807421 0.44262853949852 0.63275455562714 15.999 > 49 99 O 0.85440971043209 0.81254587475995 0.05582089653476 15.999 > 51 100 O 0.85440971043209 0.81254587475995 0.55582089653476 15.999 > 51 101 O 0.55737146050148 0.69886470857569 0.13275455562714 15.999 > 53 102 O 0.55737146050148 0.69886470857569 0.63275455562714 15.999 > 53 103 O 0.10929520616519 0.63446862475764 0.03391211103953 15.999 > 55 104 O 0.10929520616519 0.63446862475764 0.53391211103953 15.999 > 55 105 O 0.81225695623457 0.52078745857339 0.11084577013191 15.999 > 57 106 O 0.81225695623457 0.52078745857339 0.61084577013191 15.999 > 57 107 O 0.52517341859246 0.89070479383481 0.03391211103953 15.999 > 59 108 O 0.52517341859246 0.89070479383481 0.53391211103953 15.999 > 59 109 O 0.30113529142431 0.85850675192579 0.13275455562714 15.999 > 61 110 O 0.30113529142431 0.85850675192579 0.63275455562714 15.999 > 61 111 O 0.70853050233881 0.18774304376543 0.11084577013191 15.999 > 63 112 O 0.70853050233881 0.18774304376543 0.61084577013191 15.999 > 63 113 O 0.18745412524005 0.04186383567215 0.05582089653476 15.999 > 65 114 O 0.18745412524005 0.04186383567215 0.55582089653476 15.999 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2524714 -0.0000007 0.0000000 0.0000007 4.2524714 0.0000000 0.0000000 0.0000000 4.1491980 -------------------------- Born effective charges -------------------------- 1 Y 3.8013135 0.2944674 -0.1409722 0.3626615 3.7412355 -0.2654038 -0.0029097 -0.4570415 3.7989022 2 Y 4.0408002 -0.2243938 0.3003325 -0.1561997 3.5017488 0.0106164 0.3972644 0.2260009 3.7989022 3 Y 3.4717098 -0.1723647 -0.1593604 -0.1041706 4.0708392 0.2547874 -0.3943547 0.2310406 3.7989022 4 Y 3.4717098 -0.1723647 -0.1593604 -0.1041706 4.0708392 0.2547874 -0.3943547 0.2310406 3.7989022 5 Y 4.0408002 -0.2243938 0.3003325 -0.1561997 3.5017488 0.0106164 0.3972644 0.2260009 3.7989022 6 Y 3.8013135 0.2944674 -0.1409722 0.3626615 3.7412355 -0.2654038 -0.0029097 -0.4570415 3.7989022 7 Te 5.4922796 0.0889276 -0.0000000 -0.0889276 5.4922796 -0.0000000 -0.0000000 -0.0000000 4.4774668 8 O -2.4364668 0.0099581 -0.3897381 -0.0160670 -1.7329106 -0.0420109 -0.5005394 -0.0443093 -2.2308525 9 O -1.9114449 0.3191885 0.2312516 0.2931634 -2.2579325 -0.3165177 0.2886426 -0.4113252 -2.2308525 10 O -2.7689318 -0.1894850 0.0882149 -0.2020116 -2.4349996 -0.1425548 -0.0011070 -0.1087053 -2.3142942 11 O -2.6880056 0.2487343 0.0793486 0.2362078 -2.5159258 0.1476737 0.0946951 0.0533940 -2.3142942 12 O -1.9061544 -0.2901090 0.1584866 -0.3161340 -2.2632230 0.3585286 0.2118968 0.4556345 -2.2308525 13 O -2.3489596 -0.0404595 -0.1675635 -0.0529860 -2.8549718 -0.0051190 -0.0935881 0.0553113 -2.3142942 14 O -2.3489596 -0.0404595 -0.1675635 -0.0529860 -2.8549718 -0.0051190 -0.0935881 0.0553113 -2.3142942 15 O -1.9061544 -0.2901090 0.1584866 -0.3161340 -2.2632230 0.3585286 0.2118968 0.4556345 -2.2308525 16 O -2.6880056 0.2487343 0.0793486 0.2362078 -2.5159258 0.1476737 0.0946951 0.0533940 -2.3142942 17 O -2.7689318 -0.1894850 0.0882149 -0.2020116 -2.4349996 -0.1425548 -0.0011070 -0.1087053 -2.3142942 18 O -1.9114449 0.3191885 0.2312516 0.2931634 -2.2579325 -0.3165177 0.2886426 -0.4113252 -2.2308525 19 O -2.4364668 0.0099581 -0.3897381 -0.0160670 -1.7329106 -0.0420109 -0.5005394 -0.0443093 -2.2308525 ---------------------------------------------------------------------------- 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] [-0.0050 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] [ 0.0000 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[ 47, 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: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:25:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:20]------------------------- 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: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.866676598872751 2.809777044418029 3.096236669999997 b -4.866676598872741 2.809777044418029 3.096236669999997 c 0.000000000000005 -5.619554088836067 3.096236669999997 Atomic positions (fractional): 1 Y 0.68488778859351 0.38992870981208 0.85545856736551 88.906 2 Y 0.14454143263449 0.31511221140650 0.61007129018793 88.906 3 Y 0.61007129018793 0.14454143263449 0.31511221140650 88.906 4 Y 0.38992870981207 0.85545856736552 0.68488778859350 88.906 5 Y 0.85545856736552 0.68488778859351 0.38992870981207 88.906 6 Y 0.31511221140650 0.61007129018793 0.14454143263449 88.906 7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 O 0.70090408169043 0.03394849649839 0.93022204260263 15.999 9 O 0.06977795739737 0.29909591830957 0.96605150350161 15.999 10 O 0.43335559732141 0.17711942824424 0.59299764067151 15.999 11 O 0.40700235932849 0.56664440267859 0.82288057175576 15.999 12 O 0.96605150350161 0.06977795739737 0.29909591830957 15.999 13 O 0.82288057175576 0.40700235932849 0.56664440267859 15.999 14 O 0.17711942824424 0.59299764067151 0.43335559732141 15.999 15 O 0.03394849649839 0.93022204260263 0.70090408169043 15.999 16 O 0.59299764067151 0.43335559732141 0.17711942824424 15.999 17 O 0.56664440267859 0.82288057175576 0.40700235932849 15.999 18 O 0.93022204260263 0.70090408169043 0.03394849649839 15.999 19 O 0.29909591830957 0.96605150350161 0.06977795739737 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.733353197745492 0.000000000000000 0.000000000000000 b -4.866676598872746 8.429331133254097 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577420019999998 Atomic positions (fractional): 1 Y 0.04146276666981 0.78796645455818 0.32171251096185 88.906 > 1 2 Y 0.04146276666981 0.78796645455818 0.82171251096185 88.906 > 1 3 Y 0.78796645455818 0.74650368788838 0.17828748903815 88.906 > 3 4 Y 0.78796645455818 0.74650368788838 0.67828748903815 88.906 > 3 5 Y 0.25349631211162 0.04146276666981 0.17828748903815 88.906 > 5 6 Y 0.25349631211162 0.04146276666981 0.67828748903815 88.906 > 5 7 Y 0.74650368788838 0.95853723333019 0.32171251096185 88.906 > 7 8 Y 0.74650368788838 0.95853723333019 0.82171251096185 88.906 > 7 9 Y 0.21203354544182 0.25349631211162 0.32171251096185 88.906 > 9 10 Y 0.21203354544182 0.25349631211162 0.82171251096185 88.906 > 9 11 Y 0.95853723333019 0.21203354544182 0.17828748903815 88.906 > 11 12 Y 0.95853723333019 0.21203354544182 0.67828748903815 88.906 > 11 13 Y 0.70812943333647 0.12129978789152 0.48837917762852 88.906 > 1 14 Y 0.70812943333647 0.12129978789152 0.98837917762852 88.906 > 1 15 Y 0.45463312122485 0.07983702122171 0.34495415570482 88.906 > 3 16 Y 0.45463312122485 0.07983702122171 0.84495415570482 88.906 > 3 17 Y 0.92016297877829 0.37479610000314 0.34495415570482 88.906 > 5 18 Y 0.92016297877829 0.37479610000314 0.84495415570482 88.906 > 5 19 Y 0.41317035455504 0.29187056666353 0.48837917762852 88.906 > 7 20 Y 0.41317035455504 0.29187056666353 0.98837917762852 88.906 > 7 21 Y 0.87870021210848 0.58682964544496 0.48837917762852 88.906 > 9 22 Y 0.87870021210848 0.58682964544496 0.98837917762852 88.906 > 9 23 Y 0.62520389999686 0.54536687877515 0.34495415570482 88.906 > 11 24 Y 0.62520389999686 0.54536687877515 0.84495415570482 88.906 > 11 25 Y 0.37479610000314 0.45463312122485 0.15504584429518 88.906 > 1 26 Y 0.37479610000314 0.45463312122485 0.65504584429518 88.906 > 1 27 Y 0.12129978789152 0.41317035455504 0.01162082237148 88.906 > 3 28 Y 0.12129978789152 0.41317035455504 0.51162082237148 88.906 > 3 29 Y 0.58682964544496 0.70812943333647 0.01162082237148 88.906 > 5 30 Y 0.58682964544496 0.70812943333647 0.51162082237148 88.906 > 5 31 Y 0.07983702122171 0.62520389999686 0.15504584429518 88.906 > 7 32 Y 0.07983702122171 0.62520389999686 0.65504584429518 88.906 > 7 33 Y 0.54536687877515 0.92016297877829 0.15504584429518 88.906 > 9 34 Y 0.54536687877515 0.92016297877829 0.65504584429518 88.906 > 9 35 Y 0.29187056666353 0.87870021210848 0.01162082237148 88.906 > 11 36 Y 0.29187056666353 0.87870021210848 0.51162082237148 88.906 > 11 37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 37 38 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 39 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 37 40 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 37 41 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 37 42 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 37 43 O 0.14587920809328 0.62480283099452 0.27751243679858 15.999 > 43 44 O 0.14587920809328 0.62480283099452 0.77751243679858 15.999 > 43 45 O 0.62480283099452 0.47892362290124 0.22248756320142 15.999 > 45 46 O 0.62480283099452 0.47892362290124 0.72248756320142 15.999 > 45 47 O 0.03219804190902 0.80815991474088 0.20057877770619 15.999 > 47 48 O 0.03219804190902 0.80815991474088 0.70057877770619 15.999 > 47 49 O 0.80815991474088 0.77596187283186 0.29942122229381 15.999 > 49 50 O 0.80815991474088 0.77596187283186 0.79942122229381 15.999 > 49 51 O 0.52107637709876 0.14587920809328 0.22248756320142 15.999 > 51 52 O 0.52107637709876 0.14587920809328 0.72248756320142 15.999 > 51 53 O 0.22403812716815 0.03219804190902 0.29942122229381 15.999 > 53 54 O 0.22403812716815 0.03219804190902 0.79942122229381 15.999 > 53 55 O 0.77596187283186 0.96780195809098 0.20057877770619 15.999 > 55 56 O 0.77596187283186 0.96780195809098 0.70057877770619 15.999 > 55 57 O 0.47892362290124 0.85412079190672 0.27751243679858 15.999 > 57 58 O 0.47892362290124 0.85412079190672 0.77751243679858 15.999 > 57 59 O 0.19184008525912 0.22403812716815 0.20057877770619 15.999 > 59 60 O 0.19184008525912 0.22403812716815 0.70057877770619 15.999 > 59 61 O 0.96780195809098 0.19184008525912 0.29942122229381 15.999 > 61 62 O 0.96780195809098 0.19184008525912 0.79942122229381 15.999 > 61 63 O 0.37519716900548 0.52107637709876 0.27751243679858 15.999 > 63 64 O 0.37519716900548 0.52107637709876 0.77751243679858 15.999 > 63 65 O 0.85412079190672 0.37519716900548 0.22248756320142 15.999 > 65 66 O 0.85412079190672 0.37519716900548 0.72248756320142 15.999 > 65 67 O 0.81254587475995 0.95813616432785 0.44417910346524 15.999 > 43 68 O 0.81254587475995 0.95813616432785 0.94417910346524 15.999 > 43 69 O 0.29146949766119 0.81225695623457 0.38915422986809 15.999 > 45 70 O 0.29146949766119 0.81225695623457 0.88915422986809 15.999 > 45 71 O 0.69886470857569 0.14149324807421 0.36724544437286 15.999 > 47 72 O 0.69886470857569 0.14149324807421 0.86724544437286 15.999 > 47 73 O 0.47482658140754 0.10929520616519 0.46608788896047 15.999 > 49 74 O 0.47482658140754 0.10929520616519 0.96608788896047 15.999 > 49 75 O 0.18774304376543 0.47921254142661 0.38915422986809 15.999 > 51 76 O 0.18774304376543 0.47921254142661 0.88915422986809 15.999 > 51 77 O 0.89070479383481 0.36553137524236 0.46608788896047 15.999 > 53 78 O 0.89070479383481 0.36553137524236 0.96608788896047 15.999 > 53 79 O 0.44262853949852 0.30113529142431 0.36724544437286 15.999 > 55 80 O 0.44262853949852 0.30113529142431 0.86724544437286 15.999 > 55 81 O 0.14559028956791 0.18745412524005 0.44417910346524 15.999 > 57 82 O 0.14559028956791 0.18745412524005 0.94417910346524 15.999 > 57 83 O 0.85850675192579 0.55737146050148 0.36724544437286 15.999 > 59 84 O 0.85850675192579 0.55737146050148 0.86724544437286 15.999 > 59 85 O 0.63446862475764 0.52517341859246 0.46608788896047 15.999 > 61 86 O 0.63446862475764 0.52517341859246 0.96608788896047 15.999 > 61 87 O 0.04186383567215 0.85440971043209 0.44417910346524 15.999 > 63 88 O 0.04186383567215 0.85440971043209 0.94417910346524 15.999 > 63 89 O 0.52078745857339 0.70853050233881 0.38915422986809 15.999 > 65 90 O 0.52078745857339 0.70853050233881 0.88915422986809 15.999 > 65 91 O 0.47921254142661 0.29146949766119 0.11084577013191 15.999 > 43 92 O 0.47921254142661 0.29146949766119 0.61084577013191 15.999 > 43 93 O 0.95813616432785 0.14559028956791 0.05582089653476 15.999 > 45 94 O 0.95813616432785 0.14559028956791 0.55582089653476 15.999 > 45 95 O 0.36553137524236 0.47482658140754 0.03391211103953 15.999 > 47 96 O 0.36553137524236 0.47482658140754 0.53391211103953 15.999 > 47 97 O 0.14149324807421 0.44262853949852 0.13275455562714 15.999 > 49 98 O 0.14149324807421 0.44262853949852 0.63275455562714 15.999 > 49 99 O 0.85440971043209 0.81254587475995 0.05582089653476 15.999 > 51 100 O 0.85440971043209 0.81254587475995 0.55582089653476 15.999 > 51 101 O 0.55737146050148 0.69886470857569 0.13275455562714 15.999 > 53 102 O 0.55737146050148 0.69886470857569 0.63275455562714 15.999 > 53 103 O 0.10929520616519 0.63446862475764 0.03391211103953 15.999 > 55 104 O 0.10929520616519 0.63446862475764 0.53391211103953 15.999 > 55 105 O 0.81225695623457 0.52078745857339 0.11084577013191 15.999 > 57 106 O 0.81225695623457 0.52078745857339 0.61084577013191 15.999 > 57 107 O 0.52517341859246 0.89070479383481 0.03391211103953 15.999 > 59 108 O 0.52517341859246 0.89070479383481 0.53391211103953 15.999 > 59 109 O 0.30113529142431 0.85850675192579 0.13275455562714 15.999 > 61 110 O 0.30113529142431 0.85850675192579 0.63275455562714 15.999 > 61 111 O 0.70853050233881 0.18774304376543 0.11084577013191 15.999 > 63 112 O 0.70853050233881 0.18774304376543 0.61084577013191 15.999 > 63 113 O 0.18745412524005 0.04186383567215 0.05582089653476 15.999 > 65 114 O 0.18745412524005 0.04186383567215 0.55582089653476 15.999 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2524714 -0.0000007 0.0000000 0.0000007 4.2524714 0.0000000 0.0000000 0.0000000 4.1491980 -------------------------- Born effective charges -------------------------- 1 Y 3.8013135 0.2944674 -0.1409722 0.3626615 3.7412355 -0.2654038 -0.0029097 -0.4570415 3.7989022 2 Y 4.0408002 -0.2243938 0.3003325 -0.1561997 3.5017488 0.0106164 0.3972644 0.2260009 3.7989022 3 Y 3.4717098 -0.1723647 -0.1593604 -0.1041706 4.0708392 0.2547874 -0.3943547 0.2310406 3.7989022 4 Y 3.4717098 -0.1723647 -0.1593604 -0.1041706 4.0708392 0.2547874 -0.3943547 0.2310406 3.7989022 5 Y 4.0408002 -0.2243938 0.3003325 -0.1561997 3.5017488 0.0106164 0.3972644 0.2260009 3.7989022 6 Y 3.8013135 0.2944674 -0.1409722 0.3626615 3.7412355 -0.2654038 -0.0029097 -0.4570415 3.7989022 7 Te 5.4922796 0.0889276 -0.0000000 -0.0889276 5.4922796 -0.0000000 -0.0000000 -0.0000000 4.4774668 8 O -2.4364668 0.0099581 -0.3897381 -0.0160670 -1.7329106 -0.0420109 -0.5005394 -0.0443093 -2.2308525 9 O -1.9114449 0.3191885 0.2312516 0.2931634 -2.2579325 -0.3165177 0.2886426 -0.4113252 -2.2308525 10 O -2.7689318 -0.1894850 0.0882149 -0.2020116 -2.4349996 -0.1425548 -0.0011070 -0.1087053 -2.3142942 11 O -2.6880056 0.2487343 0.0793486 0.2362078 -2.5159258 0.1476737 0.0946951 0.0533940 -2.3142942 12 O -1.9061544 -0.2901090 0.1584866 -0.3161340 -2.2632230 0.3585286 0.2118968 0.4556345 -2.2308525 13 O -2.3489596 -0.0404595 -0.1675635 -0.0529860 -2.8549718 -0.0051190 -0.0935881 0.0553113 -2.3142942 14 O -2.3489596 -0.0404595 -0.1675635 -0.0529860 -2.8549718 -0.0051190 -0.0935881 0.0553113 -2.3142942 15 O -1.9061544 -0.2901090 0.1584866 -0.3161340 -2.2632230 0.3585286 0.2118968 0.4556345 -2.2308525 16 O -2.6880056 0.2487343 0.0793486 0.2362078 -2.5159258 0.1476737 0.0946951 0.0533940 -2.3142942 17 O -2.7689318 -0.1894850 0.0882149 -0.2020116 -2.4349996 -0.1425548 -0.0011070 -0.1087053 -2.3142942 18 O -1.9114449 0.3191885 0.2312516 0.2931634 -2.2579325 -0.3165177 0.2886426 -0.4113252 -2.2308525 19 O -2.4364668 0.0099581 -0.3897381 -0.0160670 -1.7329106 -0.0420109 -0.5005394 -0.0443093 -2.2308525 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 3.537 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.103 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 16.704 ( 0.000 0.000 0.000) 0.000 16.704 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 17.726 ( 0.000 0.000 0.000) 0.000 18.406 ( 0.000 0.000 0.000) 0.000 18.406 ( 0.000 0.000 0.000) 0.000 19.113 ( 0.000 0.000 0.000) 0.000 19.113 ( 0.000 0.000 0.000) 0.000 20.506 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 17.863 8.778 30.031) 36.028 0.765 ( 26.415 12.292 24.049) 37.778 1.271 ( 34.782 22.485 47.039) 62.674 3.496 ( -3.254 1.071 -3.112) 4.629 3.566 ( 2.122 -1.399 1.468) 2.935 3.997 ( 0.341 0.733 -4.036) 4.116 4.306 ( -8.793 -3.914 0.370) 9.632 4.404 ( -3.370 -3.905 -10.859) 12.022 4.523 ( 3.089 1.759 -3.367) 4.896 4.838 ( -7.558 -5.481 -11.380) 14.720 4.930 ( -4.976 -0.789 -11.417) 12.479 5.117 ( 8.393 4.420 -0.770) 9.517 5.323 ( -6.502 5.905 1.970) 9.002 5.527 ( 10.594 -0.918 0.188) 10.636 5.698 ( -6.834 -6.521 4.373) 10.409 6.060 ( 5.727 -0.209 2.504) 6.254 6.416 ( 0.440 -0.898 0.238) 1.028 6.524 ( 6.614 5.656 3.385) 9.337 6.883 ( -7.251 -2.849 -7.121) 10.555 6.976 ( 5.387 5.324 2.896) 8.109 7.365 ( -1.792 -3.735 -10.862) 11.625 7.668 ( -9.749 -3.708 8.914) 13.720 8.220 ( 1.323 -0.503 -6.314) 6.471 8.280 ( 0.425 4.329 -2.024) 4.798 8.492 ( 1.042 -2.351 0.026) 2.571 8.582 ( 3.830 -0.029 5.061) 6.347 9.012 ( -5.212 1.299 14.251) 15.230 10.269 ( -3.964 -2.765 -7.489) 8.913 10.324 ( -5.266 0.948 -3.453) 6.368 10.348 ( 0.393 -0.347 -4.012) 4.046 10.484 ( 4.987 -11.734 1.035) 12.792 10.543 ( -1.699 3.417 1.227) 4.008 11.134 ( -22.871 -1.086 19.135) 29.840 11.373 ( 2.363 -9.794 -3.219) 10.576 11.502 ( -2.024 -3.829 2.744) 5.127 11.687 ( 0.999 5.019 6.344) 8.151 12.005 ( 0.391 -0.560 -6.670) 6.705 12.149 ( 3.205 2.650 0.190) 4.163 12.289 ( -5.956 -8.685 0.288) 10.535 12.495 ( -5.054 -0.152 3.314) 6.046 12.657 ( -13.756 6.356 14.889) 21.244 12.883 ( 6.018 -8.368 4.765) 11.355 13.127 ( 20.593 9.899 -1.355) 22.889 13.670 ( -1.074 -0.834 -0.494) 1.447 15.196 ( 18.577 13.581 -20.416) 30.763 15.636 ( -14.974 -7.952 2.210) 17.098 16.268 ( 6.794 5.082 -15.322) 17.515 16.534 ( -4.646 -8.449 -11.489) 14.999 16.809 ( 11.670 11.554 -4.107) 16.928 17.237 ( -0.794 -1.518 8.764) 8.930 17.318 ( 1.384 3.939 10.983) 11.750 18.002 ( -13.014 -9.897 15.034) 22.211 18.400 ( 3.588 -1.998 -3.073) 5.129 19.076 ( -6.589 -1.103 1.471) 6.841 19.151 ( 0.248 -1.479 5.734) 5.927 20.112 ( 16.677 12.581 -24.170) 31.946 20.504 ( -0.432 -0.240 0.258) 0.558 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 16.657 11.366 28.792) 35.151 1.499 ( 25.299 10.039 23.244) 35.792 2.449 ( 28.777 16.505 42.066) 53.573 3.411 ( -1.563 1.932 -4.032) 4.736 3.539 ( -3.070 -2.717 -3.811) 5.597 3.971 ( -0.606 2.158 -6.489) 6.865 4.118 ( -4.042 -9.074 -12.730) 16.147 4.176 ( -8.431 0.903 -3.266) 9.087 4.391 ( -2.672 -1.700 -10.691) 11.151 4.570 ( -11.091 0.776 -6.652) 12.956 4.785 ( 3.886 -1.504 -4.830) 6.379 5.236 ( -3.978 2.801 6.091) 7.796 5.304 ( 3.184 -1.288 -2.441) 4.214 5.555 ( 1.280 1.229 -1.319) 2.211 5.771 ( 5.626 -6.115 8.118) 11.617 6.075 ( 0.259 -6.544 -8.217) 10.508 6.426 ( -0.716 1.613 1.086) 2.072 6.578 ( -12.118 -6.227 0.583) 13.637 6.687 ( -0.039 4.367 0.335) 4.380 7.132 ( 4.610 6.518 1.279) 8.086 7.229 ( 3.550 -3.275 -8.108) 9.437 7.585 ( -13.110 -5.602 8.140) 16.417 8.165 ( 2.186 2.606 -6.126) 7.007 8.291 ( -0.347 4.417 -1.474) 4.669 8.493 ( 2.333 -2.825 0.273) 3.674 8.668 ( 0.730 1.332 2.404) 2.843 9.193 ( 5.550 4.340 7.790) 10.503 10.094 ( -3.890 -1.235 -8.283) 9.234 10.176 ( -7.478 -2.980 -3.848) 8.922 10.289 ( 1.935 -1.203 -5.339) 5.805 10.497 ( 4.097 -4.369 -2.419) 6.459 10.520 ( -3.114 -2.917 4.225) 6.004 11.092 ( -12.111 2.857 6.952) 14.254 11.312 ( 3.795 -7.440 -2.448) 8.704 11.505 ( 0.341 -5.237 3.970) 6.581 11.735 ( -8.154 3.347 1.853) 9.007 11.876 ( -2.271 -2.401 -4.783) 5.814 12.182 ( -0.379 2.322 -0.138) 2.357 12.283 ( 6.439 1.574 -1.953) 6.910 12.495 ( -3.952 -3.643 7.756) 9.436 12.687 ( -7.706 5.862 4.040) 10.492 12.993 ( 6.886 -7.711 7.570) 12.814 13.485 ( 20.492 11.620 1.286) 23.592 13.641 ( -0.706 -1.554 -0.255) 1.726 15.263 ( 0.581 7.868 -5.042) 9.363 15.388 ( -12.642 -6.578 1.467) 14.327 16.171 ( 1.506 2.923 -10.734) 11.226 16.241 ( -4.590 -11.897 -10.508) 16.524 17.015 ( 12.849 15.352 -4.863) 20.601 17.353 ( -1.207 -3.482 12.168) 12.714 17.482 ( -3.370 0.202 11.064) 11.568 17.984 ( 0.713 0.785 0.770) 1.310 18.387 ( 9.196 -5.766 -6.734) 12.773 18.971 ( -12.587 -1.261 2.752) 12.946 19.232 ( 0.043 -2.474 7.355) 7.760 20.088 ( 7.380 8.632 -13.799) 17.871 20.501 ( -0.535 -0.248 0.483) 0.762 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 13.524 14.760 25.163) 32.155 2.189 ( 24.033 6.729 23.096) 34.004 2.994 ( -0.227 -9.261 -1.297) 9.354 3.314 ( -11.910 -4.087 -9.610) 15.839 3.615 ( -6.489 -0.555 -6.250) 9.027 3.774 ( 13.273 15.173 11.673) 23.295 3.926 ( 1.804 -4.039 -1.819) 4.783 4.042 ( -6.211 1.926 -5.532) 8.538 4.293 ( -2.889 0.810 -1.386) 3.305 4.514 ( 4.513 3.963 2.885) 6.663 4.813 ( 6.965 0.636 -1.978) 7.269 5.199 ( -5.457 -5.129 -7.174) 10.370 5.266 ( -2.041 0.562 2.787) 3.499 5.600 ( -6.249 -6.717 -5.804) 10.856 5.740 ( -6.122 1.558 -6.786) 9.271 5.863 ( 7.280 -10.402 1.234) 12.756 6.379 ( -8.332 -1.578 0.311) 8.486 6.570 ( 4.597 1.783 4.273) 6.525 6.707 ( -1.974 1.274 1.731) 2.919 7.072 ( -1.302 -4.241 -7.480) 8.697 7.280 ( 3.113 11.339 -1.903) 11.912 7.506 ( -7.293 -9.153 7.393) 13.843 8.148 ( 1.629 3.741 -3.990) 5.708 8.297 ( -0.116 1.634 -0.406) 1.688 8.518 ( 1.762 -0.688 0.989) 2.135 8.694 ( -0.273 1.386 0.002) 1.412 9.394 ( 6.465 2.181 5.870) 9.001 9.924 ( -4.201 -1.007 -7.855) 8.965 10.035 ( -4.198 -3.124 -1.188) 5.366 10.253 ( 2.191 1.201 -3.627) 4.404 10.414 ( -5.746 -0.810 -0.815) 5.860 10.605 ( 7.256 -3.851 3.908) 9.096 11.024 ( -6.833 -1.231 -0.076) 6.943 11.313 ( 3.660 -0.811 0.190) 3.753 11.492 ( -3.374 -4.276 0.195) 5.450 11.663 ( -4.820 -0.257 3.741) 6.107 11.803 ( -1.528 1.261 -4.187) 4.632 12.180 ( -1.201 1.519 -0.358) 1.969 12.357 ( 6.904 1.928 -2.444) 7.574 12.535 ( -1.595 -5.132 7.687) 9.379 12.661 ( -5.646 4.791 -0.790) 7.446 13.124 ( 4.667 -3.596 5.715) 8.209 13.628 ( 0.228 -1.322 0.190) 1.355 13.820 ( 16.179 8.684 0.737) 18.377 15.048 ( -18.199 -5.159 1.152) 18.952 15.423 ( 4.808 7.129 -0.515) 8.614 15.980 ( -3.190 -9.385 -7.751) 12.583 16.085 ( 0.143 0.348 -5.191) 5.205 17.213 ( 9.415 14.790 -3.980) 17.978 17.451 ( -0.775 -9.462 9.626) 13.521 17.514 ( -5.597 -0.911 4.550) 7.271 18.070 ( 0.501 9.525 3.729) 10.241 18.372 ( 15.360 -10.245 -10.152) 21.070 18.825 ( -14.755 -0.022 3.497) 15.164 19.298 ( -0.231 -2.086 4.767) 5.209 20.064 ( 3.346 5.168 -7.416) 9.638 20.500 ( -0.331 -0.107 0.405) 0.533 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 0.000 -0.000 -0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.829 ( -0.000 -0.000 -0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.887 ( -0.000 0.000 -0.000) 0.000 3.896 ( 0.000 -0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.389 ( -0.000 -0.000 -0.000) 0.000 4.665 ( -0.000 -0.000 -0.000) 0.000 4.892 ( -0.000 0.000 -0.000) 0.000 4.913 ( 0.000 -0.000 0.000) 0.000 5.284 ( -0.000 0.000 0.000) 0.000 5.299 ( 0.000 -0.000 -0.000) 0.000 5.827 ( -0.000 0.000 0.000) 0.000 5.830 ( 0.000 -0.000 -0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.660 ( -0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 -0.000 0.000) 0.000 7.462 ( 0.000 0.000 -0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 -0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 -0.000 0.000) 0.000 11.371 ( 0.000 -0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.690 ( 0.000 0.000 0.000) 0.000 11.746 ( -0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.981 ( 0.000 0.000 0.000) 0.000 14.896 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 -0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 -0.000) 0.000 17.424 ( -0.000 -0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 18.156 ( 0.000 0.000 0.000) 0.000 18.361 ( 0.000 0.000 0.000) 0.000 18.739 ( 0.000 0.000 0.000) 0.000 19.320 ( 0.000 0.000 -0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.500 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.954 6.919 33.856) 34.611 1.196 ( -0.094 18.086 33.342) 37.931 2.042 ( 0.693 28.302 57.851) 64.407 3.436 ( 0.733 -6.081 -3.756) 7.185 3.623 ( -0.220 5.923 2.771) 6.543 3.903 ( 0.942 0.015 -9.416) 9.463 4.201 ( -1.911 -5.997 -10.071) 11.876 4.319 ( 3.644 1.843 -12.686) 13.327 4.399 ( -2.660 -5.022 -9.141) 10.763 4.684 ( 1.322 -12.444 -9.104) 15.476 4.941 ( 0.203 1.724 -4.637) 4.952 5.002 ( -0.723 3.985 3.414) 5.297 5.370 ( 7.817 -4.861 3.448) 9.830 5.480 ( -6.882 2.710 -4.028) 8.422 5.763 ( -1.892 4.970 1.883) 5.641 6.093 ( -2.922 -6.732 4.519) 8.619 6.469 ( -4.397 1.711 2.093) 5.162 6.537 ( 5.127 9.683 1.964) 11.131 6.899 ( 2.496 -6.987 -2.327) 7.776 6.976 ( 3.000 2.683 2.106) 4.543 7.179 ( -4.626 -4.026 -10.564) 12.215 7.798 ( 1.266 -7.614 6.661) 10.195 8.100 ( 0.451 -3.303 -5.888) 6.766 8.260 ( 2.764 7.420 -3.739) 8.756 8.506 ( -3.153 -4.265 2.810) 6.002 8.638 ( -0.628 5.220 3.756) 6.462 9.150 ( 2.124 -0.777 6.587) 6.965 10.151 ( 2.455 -3.758 -9.190) 10.227 10.214 ( -1.669 -4.488 -6.229) 7.856 10.323 ( -0.424 -1.864 -3.037) 3.588 10.449 ( -4.175 -5.362 0.180) 6.799 10.608 ( 0.420 6.335 -0.876) 6.409 11.170 ( 3.824 -18.503 2.936) 19.121 11.449 ( -1.194 5.857 -3.358) 6.856 11.593 ( -9.321 -8.797 6.387) 14.320 11.735 ( 7.464 -0.229 6.217) 9.717 11.911 ( -0.427 1.213 -7.622) 7.730 12.129 ( 1.043 7.642 -4.248) 8.805 12.365 ( -7.799 -8.339 1.084) 11.469 12.409 ( 4.883 -9.061 2.487) 10.589 12.743 ( 9.971 -17.157 12.280) 23.336 13.064 ( -14.224 9.106 4.461) 17.468 13.181 ( 4.423 18.588 6.757) 20.267 13.653 ( -0.380 -0.980 -1.742) 2.035 15.005 ( 3.053 30.098 -10.973) 32.181 15.664 ( 1.504 -18.501 2.908) 18.789 16.134 ( 0.576 -5.372 -3.777) 6.592 16.483 ( -15.751 1.306 -9.788) 18.590 16.641 ( 14.609 10.929 -7.206) 19.616 17.335 ( -1.651 -6.385 12.326) 13.980 17.515 ( 2.121 8.000 12.081) 14.645 18.146 ( 7.608 -6.263 -9.737) 13.853 18.200 ( -12.020 -5.905 -0.846) 13.419 19.135 ( 4.186 -6.449 4.540) 8.928 19.352 ( -4.770 5.511 10.808) 13.036 19.803 ( 3.481 16.821 -17.038) 24.194 20.508 ( 0.046 -0.733 0.368) 0.821 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 13.930 5.558 31.397) 34.795 1.804 ( 6.243 16.184 30.696) 35.258 2.986 ( 1.326 14.605 36.131) 38.993 3.367 ( 4.176 2.935 6.347) 8.145 3.651 ( -10.354 5.134 1.774) 11.692 3.825 ( 8.537 -1.979 -9.571) 12.977 3.943 ( -7.549 -0.626 -17.217) 18.809 4.166 ( 4.625 -3.295 -14.035) 15.141 4.183 ( -3.847 -2.025 -6.217) 7.586 4.599 ( 3.359 -7.361 1.605) 8.249 4.748 ( -9.946 -0.923 -3.774) 10.678 5.204 ( 6.374 -2.057 5.336) 8.564 5.368 ( -3.859 -0.098 -2.223) 4.454 5.470 ( 8.665 -3.159 1.765) 9.390 5.763 ( -2.601 6.869 -3.261) 8.037 5.979 ( -7.284 -9.290 -5.159) 12.883 6.472 ( 0.147 2.209 1.688) 2.784 6.660 ( -5.857 -4.766 0.886) 7.603 6.717 ( -0.814 -0.090 -5.247) 5.310 7.003 ( 3.929 -7.028 -7.848) 11.244 7.133 ( 5.893 7.515 1.493) 9.666 7.764 ( -7.420 -6.977 3.428) 10.746 8.061 ( 4.213 -0.485 -2.661) 5.007 8.324 ( 2.930 7.391 -2.003) 8.199 8.450 ( -2.790 -6.675 2.357) 7.609 8.721 ( -0.915 2.710 4.063) 4.969 9.275 ( 3.043 4.143 5.785) 7.739 10.049 ( -4.814 -0.078 -6.515) 8.101 10.087 ( 7.503 -3.650 -8.018) 11.572 10.202 ( -6.198 -7.242 -0.736) 9.560 10.433 ( 2.015 -1.793 1.823) 3.256 10.580 ( -4.033 0.036 -2.397) 4.692 11.095 ( 1.938 -12.391 -2.492) 12.787 11.409 ( -8.384 7.623 0.913) 11.368 11.515 ( -3.552 -8.344 4.997) 10.354 11.800 ( -0.790 0.014 -6.937) 6.982 11.856 ( 0.793 2.018 2.316) 3.173 12.163 ( 4.255 9.533 -6.456) 12.274 12.261 ( -5.515 -4.579 3.299) 7.891 12.437 ( 6.685 -11.897 2.176) 13.819 12.877 ( 2.942 -8.175 4.973) 10.011 13.029 ( -8.202 4.065 9.513) 13.202 13.484 ( 6.853 19.101 4.555) 20.798 13.613 ( 0.832 -2.017 -1.473) 2.632 15.192 ( 10.027 24.188 -7.844) 27.334 15.513 ( -9.052 -19.818 4.112) 22.172 16.057 ( 1.078 -7.383 -2.117) 7.756 16.143 ( -12.915 -2.764 -9.186) 16.088 16.882 ( 16.277 14.351 -3.518) 21.983 17.441 ( 0.193 -9.325 12.213) 15.367 17.700 ( -5.629 1.026 6.777) 8.869 17.966 ( 4.127 0.951 -6.765) 7.981 18.144 ( 1.626 0.888 -4.403) 4.777 19.182 ( -2.243 -7.504 6.687) 10.299 19.335 ( -11.967 6.467 0.929) 13.634 19.865 ( 12.209 9.184 -8.201) 17.339 20.506 ( -0.035 -0.798 0.140) 0.811 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 19.382 3.149 27.100) 33.466 2.390 ( 6.582 13.753 25.758) 29.932 2.923 ( -9.582 -7.578 -9.004) 15.176 3.339 ( -16.370 -5.611 -15.901) 23.501 3.647 ( -13.182 6.433 -4.349) 15.299 3.744 ( 5.041 -2.313 -4.424) 7.094 4.015 ( 1.446 1.149 -8.742) 8.935 4.105 ( 2.746 3.547 9.057) 10.107 4.212 ( 13.971 10.172 23.112) 28.859 4.599 ( -4.058 1.475 0.961) 4.423 4.727 ( 8.111 -1.587 5.297) 9.817 5.200 ( -0.429 -3.626 -3.061) 4.764 5.237 ( -10.680 -2.512 -5.912) 12.463 5.602 ( -8.024 -2.737 -3.525) 9.181 5.674 ( 3.187 -12.666 -2.623) 13.322 5.773 ( 4.044 12.117 -2.452) 13.007 6.440 ( -4.895 -12.853 -0.355) 13.758 6.550 ( 1.842 3.104 -0.372) 3.628 6.739 ( 0.630 1.308 -0.847) 1.681 6.880 ( 4.359 -5.474 -9.519) 11.814 7.276 ( 5.168 8.040 -0.492) 9.570 7.626 ( -9.421 -3.404 -1.037) 10.071 8.109 ( 3.789 0.463 1.105) 3.974 8.354 ( -3.804 0.374 3.080) 4.909 8.432 ( 5.532 -5.463 -1.322) 7.886 8.752 ( -3.764 0.994 3.372) 5.150 9.440 ( 4.257 4.123 6.390) 8.715 9.895 ( -4.820 -0.510 -5.036) 6.989 10.059 ( -3.560 -0.643 -1.681) 3.989 10.128 ( 7.018 -5.615 -0.858) 9.029 10.424 ( -3.213 -3.439 -3.026) 5.595 10.554 ( 5.290 -0.046 2.391) 5.806 10.972 ( -0.244 -5.966 -6.832) 9.074 11.391 ( -5.704 5.925 2.139) 8.498 11.491 ( -1.124 -5.340 1.725) 5.723 11.720 ( -0.254 2.145 -2.987) 3.686 11.865 ( -7.299 3.352 1.633) 8.197 12.184 ( 0.291 2.188 -2.283) 3.176 12.235 ( 4.998 -1.332 -2.562) 5.772 12.472 ( 6.860 -7.650 0.799) 10.306 12.829 ( -8.861 -3.965 3.547) 10.335 13.149 ( 1.536 3.932 5.205) 6.702 13.565 ( 3.114 -1.966 -2.711) 4.572 13.792 ( 8.412 12.350 4.774) 15.687 15.230 ( -15.405 -6.562 -2.242) 16.894 15.400 ( 5.817 10.994 -2.394) 12.667 15.893 ( -4.584 -4.272 -3.841) 7.349 16.030 ( 1.010 -7.476 3.012) 8.123 17.143 ( 12.644 14.383 -1.862) 19.241 17.490 ( -2.427 -13.898 8.169) 16.303 17.580 ( -4.719 -4.006 -4.679) 7.760 18.018 ( 9.470 -3.828 -6.916) 12.336 18.220 ( 2.275 14.409 6.420) 15.937 19.088 ( -17.249 -0.886 3.222) 17.569 19.276 ( 2.972 0.178 -4.658) 5.528 19.977 ( 5.927 3.557 0.084) 6.913 20.500 ( 0.106 -0.647 -0.253) 0.703 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -11.840 -15.392 -14.023) 23.953 2.720 ( -14.121 -6.122 -14.198) 20.940 2.930 ( 14.594 7.783 21.273) 26.946 3.031 ( -2.476 13.071 13.588) 19.016 3.519 ( -6.582 6.200 0.965) 9.094 3.804 ( 8.720 -1.556 2.417) 9.181 3.946 ( 1.156 1.306 -3.559) 3.963 4.109 ( 3.707 -5.479 -1.233) 6.729 4.337 ( -15.119 -7.194 -10.757) 19.901 4.809 ( -11.669 -3.620 -0.805) 12.244 4.915 ( 3.292 -0.464 7.114) 7.852 5.075 ( 7.616 8.546 15.085) 18.937 5.120 ( -0.014 0.763 -4.741) 4.802 5.437 ( -2.085 9.140 3.019) 9.849 5.647 ( 4.905 -9.104 -4.065) 11.112 5.945 ( 2.988 10.235 1.546) 10.774 6.320 ( -2.681 -9.085 3.409) 10.067 6.575 ( 7.175 -0.135 -5.385) 8.972 6.652 ( -2.443 -2.416 -7.072) 7.863 6.893 ( 9.755 -2.092 -0.043) 9.977 7.336 ( -0.748 -4.805 1.251) 5.021 7.489 ( -4.518 11.386 -7.677) 14.457 8.171 ( 0.612 -2.987 4.735) 5.632 8.345 ( -3.901 -3.515 4.933) 7.204 8.445 ( 6.530 -4.100 -3.045) 8.290 8.742 ( -4.061 -0.798 2.686) 4.934 9.551 ( -3.542 3.390 1.407) 5.101 9.842 ( 1.289 1.062 3.286) 3.686 10.008 ( -1.742 -1.058 1.037) 2.287 10.192 ( 7.192 -3.452 0.592) 8.000 10.321 ( -0.190 -4.105 -2.698) 4.916 10.678 ( 4.245 2.938 0.770) 5.219 10.848 ( 3.722 -0.928 -8.124) 8.984 11.389 ( -1.683 -1.002 1.143) 2.267 11.449 ( -1.960 3.326 -2.026) 4.360 11.760 ( 0.581 1.350 4.307) 4.550 11.776 ( -9.871 4.097 -0.680) 10.709 12.156 ( 0.238 -4.107 -0.276) 4.123 12.275 ( 8.625 1.425 -6.150) 10.689 12.518 ( 4.368 -2.153 0.302) 4.879 12.716 ( -8.972 -6.315 2.953) 11.362 13.208 ( -1.945 6.892 -2.454) 7.570 13.568 ( 4.761 -1.923 -2.489) 5.707 14.018 ( 3.926 4.679 5.906) 8.496 14.933 ( -12.207 -5.337 -4.477) 14.055 15.471 ( 1.133 4.666 -3.829) 6.141 15.892 ( 3.206 5.945 3.853) 7.777 16.068 ( 1.156 -7.459 8.799) 11.592 17.347 ( 4.006 9.080 -0.646) 9.945 17.384 ( -0.028 -3.220 -5.253) 6.162 17.456 ( -0.994 -12.981 -2.151) 13.196 18.008 ( 4.290 -2.903 -2.501) 5.752 18.484 ( 6.396 12.743 6.919) 15.848 18.875 ( -17.345 1.712 -0.670) 17.442 19.248 ( 3.642 -0.655 -6.160) 7.186 20.072 ( 1.988 -1.222 5.310) 5.800 20.493 ( 0.268 -0.431 -0.518) 0.725 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -18.335 -15.318 -19.164) 30.628 2.155 ( -24.171 -6.286 -19.127) 31.458 3.133 ( -14.517 8.923 -2.967) 17.297 3.430 ( 6.828 9.359 15.747) 19.550 3.604 ( -10.602 -5.558 -4.557) 12.809 3.836 ( -4.489 -2.340 8.118) 9.567 3.948 ( 8.098 -3.530 -3.340) 9.445 3.996 ( 5.597 4.583 2.968) 7.819 4.213 ( 7.961 -2.638 9.995) 13.047 4.555 ( -7.942 -5.250 -2.699) 9.896 4.944 ( -6.938 -3.147 5.478) 9.384 5.076 ( 6.115 -2.881 -7.602) 10.172 5.324 ( 2.279 9.790 2.263) 10.304 5.560 ( 1.122 -5.657 -4.197) 7.133 5.816 ( 10.472 12.509 7.062) 17.776 5.974 ( 0.037 7.714 0.965) 7.774 6.304 ( 1.205 -7.340 2.255) 7.773 6.527 ( -2.006 0.199 -4.943) 5.338 6.652 ( 6.228 2.557 1.353) 6.867 7.003 ( 12.697 -8.242 -1.519) 15.213 7.268 ( -1.722 -7.144 3.170) 8.003 7.456 ( -2.181 16.352 -9.306) 18.940 8.205 ( -1.108 -7.153 6.817) 9.943 8.333 ( -3.501 -2.946 3.896) 6.009 8.465 ( 4.959 -2.040 -1.665) 5.614 8.711 ( -3.587 -1.524 1.329) 4.118 9.442 ( -11.037 1.527 -3.922) 11.812 9.997 ( 4.917 1.149 8.835) 10.176 10.031 ( 2.448 1.233 1.976) 3.379 10.273 ( 3.282 -3.664 4.733) 6.826 10.306 ( 7.200 -1.306 -2.795) 7.833 10.651 ( -2.452 5.351 -5.411) 7.995 10.869 ( 8.057 -1.963 -5.474) 9.937 11.395 ( 0.315 3.641 0.533) 3.694 11.458 ( 3.800 2.722 -0.892) 4.758 11.649 ( -8.911 -0.187 -0.260) 8.917 11.853 ( 0.319 3.656 3.325) 4.952 12.138 ( 2.469 -4.450 0.313) 5.098 12.286 ( 6.296 0.980 -8.243) 10.418 12.530 ( -5.885 1.098 1.099) 6.087 12.614 ( -0.370 -10.333 2.070) 10.545 13.147 ( -5.079 9.052 -7.727) 12.940 13.582 ( 4.211 -0.683 -2.481) 4.935 14.028 ( -16.419 -5.169 5.685) 18.127 14.841 ( 11.883 2.188 -4.684) 12.959 15.437 ( -2.386 0.033 -1.061) 2.611 16.107 ( 6.446 12.749 6.565) 15.722 16.184 ( 0.582 -6.718 14.477) 15.971 17.233 ( 2.047 -4.670 -9.839) 11.082 17.274 ( -4.805 -17.298 -0.764) 17.969 17.461 ( 1.085 12.138 -5.426) 13.340 18.020 ( 0.283 -1.071 1.738) 2.061 18.602 ( -2.192 -3.861 -7.234) 8.487 18.800 ( -4.598 14.061 10.741) 18.282 19.192 ( 3.142 0.328 -8.227) 8.813 20.157 ( 0.257 -3.999 8.367) 9.277 20.489 ( 0.385 -0.182 -0.267) 0.503 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -22.680 -11.919 -17.015) 30.756 1.520 ( -29.883 -4.796 -16.755) 34.594 2.510 ( -50.489 -4.323 -16.823) 53.393 3.444 ( -1.866 -0.913 5.005) 5.419 3.634 ( -2.214 4.551 2.183) 5.512 3.986 ( 9.395 -6.818 -1.267) 11.678 4.053 ( 4.684 2.106 4.885) 7.088 4.196 ( 10.409 8.206 2.017) 13.407 4.480 ( 5.873 -4.221 14.185) 15.923 4.609 ( 6.488 3.800 13.021) 15.036 4.931 ( -2.175 1.227 7.211) 7.631 5.027 ( 6.543 -3.780 -6.793) 10.161 5.401 ( -3.530 -0.457 2.789) 4.522 5.501 ( 5.607 1.267 -5.890) 8.230 5.656 ( -3.088 0.489 -19.879) 20.123 6.234 ( -4.904 -2.318 2.931) 6.165 6.442 ( 7.623 8.051 7.262) 13.254 6.472 ( 9.255 3.519 2.129) 10.128 6.699 ( -3.812 0.099 0.050) 3.814 7.015 ( 8.120 -13.255 -3.534) 15.941 7.356 ( 6.761 1.567 5.773) 9.027 7.406 ( -2.283 9.174 -6.906) 11.708 8.237 ( -0.335 -4.825 6.261) 7.912 8.314 ( -2.337 -0.911 0.878) 2.657 8.482 ( 1.878 -4.678 0.868) 5.115 8.666 ( -4.430 3.157 -1.376) 5.611 9.220 ( -13.809 -1.322 -4.394) 14.551 10.125 ( 5.006 -0.590 4.758) 6.932 10.185 ( 6.074 0.740 5.734) 8.386 10.320 ( 3.029 1.728 -1.780) 3.915 10.388 ( 5.429 0.992 -0.544) 5.546 10.659 ( 1.304 5.764 3.316) 6.777 10.795 ( 3.818 -7.237 -10.919) 13.645 11.407 ( -0.248 6.040 -4.684) 7.647 11.559 ( -6.569 4.505 3.187) 8.579 11.593 ( 9.030 -3.440 1.735) 9.817 11.907 ( 3.681 2.548 -0.160) 4.480 12.153 ( 0.157 -4.285 1.804) 4.652 12.249 ( 5.872 2.337 -7.789) 10.031 12.425 ( -9.819 -3.103 1.546) 10.413 12.585 ( 1.306 -8.786 0.851) 8.924 13.031 ( -5.807 10.927 -9.316) 15.489 13.603 ( 3.119 -0.689 -0.831) 3.301 13.753 ( -24.289 -6.404 2.652) 25.259 15.071 ( 22.640 3.938 -1.253) 23.014 15.407 ( -2.394 0.123 1.674) 2.924 16.359 ( -0.638 -2.500 17.108) 17.302 16.395 ( 7.381 10.797 7.763) 15.209 17.038 ( 0.065 -11.423 -10.128) 15.267 17.135 ( -1.752 -7.966 -0.503) 8.172 17.413 ( -5.270 7.380 -7.963) 12.069 18.023 ( -4.884 3.506 -0.228) 6.016 18.429 ( -1.240 -6.851 -5.681) 8.986 19.004 ( -0.108 8.885 8.411) 12.235 19.121 ( 2.885 0.902 -8.320) 8.852 20.251 ( 0.064 -3.191 9.373) 9.901 20.494 ( 0.360 -0.033 0.454) 0.581 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -27.525 -1.517 0.473) 27.570 0.922 ( -35.214 2.817 -3.683) 35.518 1.626 ( -60.943 -0.975 1.591) 60.971 3.513 ( 0.599 0.354 4.427) 4.481 3.577 ( -2.881 -0.358 -4.220) 5.122 4.038 ( 1.935 -0.279 -0.590) 2.042 4.176 ( 8.499 -0.043 2.365) 8.822 4.375 ( 12.025 0.600 -3.257) 12.473 4.570 ( -2.784 -0.150 1.822) 3.331 4.886 ( 8.784 -2.649 1.051) 9.235 5.012 ( 1.320 4.054 2.021) 4.718 5.152 ( 1.276 0.331 3.290) 3.544 5.367 ( 6.693 -5.050 -10.281) 13.266 5.376 ( -2.900 1.345 10.275) 10.761 5.563 ( 9.129 1.922 -6.751) 11.515 6.137 ( -7.390 0.093 -2.639) 7.848 6.429 ( -1.051 -0.209 -0.342) 1.125 6.583 ( -9.140 -0.056 0.449) 9.151 6.873 ( 15.569 0.765 1.522) 15.662 6.981 ( -0.389 -1.249 2.186) 2.548 7.379 ( 5.608 3.610 -6.506) 9.317 7.520 ( 6.309 -3.258 5.656) 9.078 8.264 ( -0.904 0.559 -2.040) 2.301 8.300 ( 1.070 -0.476 1.948) 2.273 8.473 ( -1.602 -5.299 3.991) 6.824 8.590 ( -6.713 6.858 -4.767) 10.716 8.997 ( -14.325 -1.411 2.574) 14.623 10.245 ( 5.072 -0.158 2.382) 5.606 10.304 ( 5.584 0.118 0.193) 5.589 10.323 ( 4.903 -1.909 -3.908) 6.554 10.451 ( 2.540 5.753 -1.759) 6.530 10.604 ( -0.817 -6.063 -9.783) 11.538 10.833 ( 3.099 2.580 11.858) 12.525 11.381 ( 2.786 2.237 -4.890) 6.057 11.542 ( -1.181 -7.483 -2.176) 7.881 11.627 ( -3.780 5.255 3.786) 7.499 12.042 ( 13.709 -2.427 -5.529) 14.980 12.123 ( -3.605 1.546 5.397) 6.672 12.292 ( -3.887 -0.535 -1.320) 4.139 12.325 ( 4.051 6.655 1.573) 7.949 12.543 ( -1.036 -11.248 5.659) 12.634 12.923 ( -4.741 9.180 -7.562) 12.804 13.410 ( -24.696 -3.854 1.093) 25.019 13.646 ( 2.983 0.064 -0.335) 3.003 15.385 ( 17.778 2.066 2.521) 18.074 15.419 ( 3.867 -1.806 -0.528) 4.301 16.518 ( -1.327 0.080 3.641) 3.876 16.594 ( 8.663 -0.577 -6.805) 11.031 16.882 ( -5.314 2.042 1.603) 5.914 17.127 ( 2.415 -3.833 9.882) 10.871 17.255 ( -7.157 1.977 -5.572) 9.283 17.897 ( -10.666 1.077 -3.182) 11.183 18.363 ( 2.923 -0.749 -1.658) 3.443 19.070 ( 3.333 -2.525 -3.517) 5.464 19.127 ( -1.025 2.530 3.662) 4.567 20.348 ( 1.294 0.009 2.455) 2.775 20.504 ( 0.244 -0.004 -0.046) 0.248 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -12.689 5.753 30.493) 33.525 1.823 ( -8.357 18.331 30.449) 36.510 3.045 ( -5.772 24.734 49.457) 55.597 3.335 ( -2.292 -6.315 -2.298) 7.101 3.538 ( 9.985 0.485 -8.321) 13.006 3.844 ( 2.283 -4.661 -6.997) 8.712 4.011 ( 1.275 5.114 -11.740) 12.869 4.026 ( 0.139 -6.363 -16.000) 17.219 4.307 ( -1.768 -0.959 -4.177) 4.636 4.482 ( 3.101 -10.443 -1.792) 11.040 4.845 ( 7.267 -1.484 2.591) 7.857 5.199 ( -11.078 2.133 -0.099) 11.282 5.315 ( 3.600 -4.670 4.917) 7.677 5.431 ( -2.817 -1.084 -7.926) 8.481 5.871 ( -1.737 10.666 -3.547) 11.374 6.103 ( 1.750 -3.157 -1.451) 3.890 6.458 ( 8.169 0.734 -2.089) 8.464 6.611 ( -6.338 0.153 -1.491) 6.512 6.668 ( 7.688 -8.440 1.050) 11.465 6.980 ( -5.932 -4.003 -4.119) 8.257 7.168 ( -1.410 3.928 -5.306) 6.751 7.757 ( 5.283 -6.763 6.059) 10.505 8.014 ( -1.099 -4.745 -3.776) 6.163 8.255 ( -0.506 3.161 -0.593) 3.256 8.561 ( -1.503 -0.937 3.751) 4.148 8.702 ( 2.533 2.261 2.420) 4.170 9.256 ( -3.331 4.139 6.603) 8.475 9.965 ( 1.590 -4.817 -8.448) 9.854 10.124 ( -0.112 -2.144 -6.314) 6.668 10.261 ( 2.015 -2.134 -1.304) 3.211 10.447 ( -1.256 -4.985 0.019) 5.141 10.627 ( 0.535 8.104 -2.313) 8.445 11.059 ( -0.259 -15.530 1.984) 15.658 11.405 ( 5.304 7.397 -3.883) 9.896 11.673 ( 5.586 -6.215 1.034) 8.420 11.692 ( 0.749 -2.756 6.703) 7.286 11.815 ( 1.034 1.745 -7.284) 7.561 12.118 ( -2.049 5.573 -5.949) 8.406 12.292 ( 0.572 -3.778 1.450) 4.086 12.512 ( -8.019 -4.038 3.000) 9.466 12.695 ( 4.834 -13.915 10.708) 18.212 13.251 ( 5.772 16.482 -0.063) 17.463 13.432 ( -11.322 9.462 9.729) 17.674 13.631 ( -1.049 -0.319 -1.964) 2.249 15.090 ( -5.082 16.594 -8.484) 19.317 15.463 ( 9.297 -19.141 2.535) 21.430 16.035 ( 0.236 -7.349 -2.681) 7.826 16.418 ( 18.346 9.897 -2.559) 21.002 16.663 ( -23.288 0.932 -6.804) 24.279 17.484 ( -2.034 -9.115 12.241) 15.398 17.685 ( 3.996 5.750 10.452) 12.581 17.934 ( -0.037 -1.282 -8.628) 8.723 18.270 ( -8.434 6.976 -7.791) 13.435 19.041 ( 8.591 -8.559 2.136) 12.314 19.486 ( 11.791 7.727 7.544) 15.989 19.784 ( -14.733 4.542 -8.527) 17.618 20.504 ( 0.101 -0.885 0.135) 0.901 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -0.660 6.892 30.247) 31.029 2.303 ( -1.078 15.245 29.816) 33.505 3.150 ( -7.415 -8.657 -6.995) 13.374 3.507 ( 10.721 -2.773 -11.571) 16.016 3.682 ( -4.989 -1.150 -14.146) 15.044 3.796 ( 10.447 -5.978 -6.949) 13.898 3.931 ( 3.002 16.406 32.697) 36.705 3.967 ( -6.848 13.092 10.275) 17.997 4.190 ( -5.522 4.171 -6.737) 9.658 4.507 ( 7.495 -9.172 6.968) 13.742 4.805 ( -8.464 -5.031 -4.435) 10.799 5.142 ( 3.021 -6.229 -2.051) 7.220 5.363 ( 7.336 0.478 -1.987) 7.615 5.402 ( -0.411 -1.457 7.348) 7.502 5.805 ( -3.443 5.726 -9.259) 11.418 5.962 ( -10.665 -2.073 -7.767) 13.356 6.477 ( -3.671 -5.393 -5.773) 8.712 6.523 ( 8.953 -6.303 -2.928) 11.334 6.682 ( 0.431 -0.377 -0.432) 0.717 6.842 ( -0.365 -2.179 -7.441) 7.762 7.162 ( 2.039 6.736 -1.153) 7.132 7.759 ( -0.813 -7.959 0.317) 8.007 8.011 ( 3.443 -4.285 3.400) 6.463 8.284 ( 2.034 4.832 -2.052) 5.630 8.533 ( -6.207 -4.549 4.398) 8.864 8.811 ( 1.116 1.383 5.641) 5.914 9.345 ( 1.175 4.399 4.596) 6.470 9.892 ( 5.217 -3.527 -3.611) 7.259 10.008 ( -2.151 -0.173 -6.266) 6.628 10.225 ( -4.150 -5.454 1.185) 6.955 10.426 ( 0.797 -0.808 0.807) 1.393 10.578 ( -4.167 0.436 -5.321) 6.773 10.949 ( 0.930 -11.108 -3.415) 11.659 11.434 ( 1.266 2.994 -2.825) 4.307 11.678 ( -3.631 -2.812 7.228) 8.563 11.712 ( -1.801 0.141 -6.533) 6.778 11.818 ( 5.574 0.618 0.554) 5.635 12.078 ( 3.365 11.673 -9.638) 15.508 12.293 ( 4.161 -9.116 3.197) 10.519 12.404 ( -10.064 -5.306 2.377) 11.623 12.817 ( 6.441 -9.306 7.484) 13.568 13.295 ( -8.794 9.950 0.549) 13.291 13.562 ( -1.845 -1.020 -3.800) 4.345 13.618 ( 3.851 10.558 8.304) 13.973 15.149 ( 7.535 21.440 -9.407) 24.596 15.439 ( 2.302 -18.597 4.678) 19.314 15.979 ( 0.923 -11.264 2.832) 11.651 16.283 ( -21.874 0.975 -5.649) 22.612 16.731 ( 18.110 10.615 1.418) 21.039 17.532 ( -0.731 -11.745 8.192) 14.338 17.720 ( -5.130 -6.203 -9.542) 12.484 17.884 ( 1.075 4.967 3.979) 6.454 18.208 ( -1.929 14.736 -0.923) 14.890 19.102 ( 8.278 -6.500 -1.451) 10.624 19.513 ( -9.772 3.710 -10.063) 14.510 19.795 ( 4.496 6.144 10.553) 13.012 20.496 ( 0.096 -1.060 -0.345) 1.119 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 4.838 0.166 19.995) 20.573 2.765 ( -1.853 8.577 19.467) 21.353 2.899 ( -3.997 -1.525 -1.259) 4.459 3.251 ( -10.602 -2.883 -12.723) 16.810 3.583 ( 8.508 -1.218 -4.148) 9.543 3.757 ( 8.525 -6.192 -8.543) 13.564 3.892 ( -15.684 7.511 -1.363) 17.443 4.147 ( -1.731 6.071 1.257) 6.437 4.523 ( -2.250 -5.166 5.405) 7.808 4.693 ( 4.860 0.620 8.276) 9.617 4.784 ( 8.800 12.494 25.674) 29.878 5.022 ( -1.077 -4.000 -10.450) 11.241 5.413 ( -4.809 -3.351 3.905) 7.043 5.482 ( 1.759 -9.037 0.331) 9.212 5.621 ( -7.115 -0.719 -10.194) 12.452 5.777 ( 2.841 11.507 -3.300) 12.304 6.307 ( 0.801 -11.583 -6.222) 13.173 6.536 ( 1.662 -4.002 -0.536) 4.366 6.664 ( 5.165 -0.177 -5.739) 7.723 6.730 ( -3.050 0.964 -5.240) 6.139 7.259 ( 5.694 8.258 -1.937) 10.216 7.648 ( -4.911 -5.580 -3.511) 8.221 8.094 ( 4.141 -3.254 5.456) 7.583 8.298 ( 2.730 1.477 -3.984) 5.050 8.487 ( -6.230 -6.920 7.356) 11.866 8.863 ( -3.883 -0.806 4.497) 5.996 9.498 ( 5.673 3.993 6.913) 9.794 9.882 ( -2.078 -0.031 -2.662) 3.377 9.968 ( 7.223 -0.540 -1.231) 7.347 10.124 ( -6.353 -5.499 1.053) 8.468 10.385 ( -3.981 -3.690 -5.083) 7.436 10.515 ( 4.460 0.973 0.234) 4.571 10.828 ( 0.791 -5.131 -7.381) 9.024 11.440 ( 1.168 3.064 -1.924) 3.801 11.545 ( -8.271 -3.998 -2.212) 9.450 11.750 ( -2.033 7.260 3.258) 8.213 11.914 ( 7.734 -0.170 0.722) 7.769 12.098 ( 4.093 11.869 -9.122) 15.519 12.241 ( -9.875 -9.072 1.471) 13.490 12.353 ( 6.432 -6.406 3.507) 9.732 12.873 ( 0.078 -7.460 2.824) 7.977 13.268 ( -4.992 6.337 -0.001) 8.067 13.484 ( -0.122 -0.546 -4.050) 4.089 13.852 ( 6.382 8.004 6.086) 11.909 15.219 ( 1.550 3.255 -9.728) 10.374 15.412 ( -0.741 -0.300 3.591) 3.679 15.916 ( -4.973 -6.491 1.410) 8.298 16.078 ( -5.883 -2.152 6.013) 8.683 17.054 ( 15.255 10.085 2.559) 18.465 17.434 ( -0.232 -7.946 -11.943) 14.346 17.529 ( -5.723 -11.895 3.311) 13.609 17.945 ( -0.495 4.899 1.613) 5.181 18.376 ( 2.701 14.691 5.240) 15.830 19.104 ( 7.076 -0.257 -9.807) 12.096 19.286 ( -12.376 -2.622 -1.986) 12.806 20.001 ( 2.520 3.271 8.083) 9.077 20.484 ( 0.349 -0.897 -0.673) 1.174 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -14.878 -12.910 -11.403) 22.760 2.712 ( -18.114 -2.515 -11.715) 21.719 3.126 ( 7.986 9.294 18.960) 22.575 3.342 ( 3.478 9.020 17.965) 20.401 3.647 ( -0.606 4.611 -0.142) 4.652 3.716 ( 7.319 -6.611 -4.939) 11.030 3.793 ( -0.225 2.068 4.198) 4.685 4.148 ( -5.124 0.813 0.793) 5.248 4.415 ( -9.479 -3.230 0.100) 10.015 4.736 ( -7.081 -7.201 -12.412) 16.002 4.903 ( 7.410 -0.063 0.439) 7.423 5.140 ( -4.793 0.899 4.378) 6.553 5.284 ( -5.700 3.823 0.963) 6.930 5.467 ( 5.969 -4.390 -6.256) 9.697 5.597 ( 3.106 6.241 12.438) 14.258 5.937 ( 6.383 6.144 -2.470) 9.197 6.195 ( 7.490 -13.158 -1.462) 15.211 6.523 ( -1.399 5.728 1.318) 6.042 6.610 ( -2.758 0.718 -4.902) 5.670 6.709 ( 8.850 -4.070 -2.935) 10.174 7.321 ( 0.666 -0.851 -1.543) 1.884 7.513 ( -2.791 7.402 -6.509) 10.244 8.188 ( 2.376 -7.454 5.893) 9.795 8.298 ( 5.423 1.310 -2.825) 6.253 8.463 ( -5.481 -7.315 7.785) 12.007 8.840 ( -5.719 -1.535 3.284) 6.771 9.663 ( -3.215 4.685 3.394) 6.618 9.859 ( 3.405 1.359 2.334) 4.346 10.025 ( -1.002 -0.211 -1.546) 1.854 10.077 ( 7.362 -6.036 2.856) 9.939 10.263 ( -1.024 -4.149 -1.474) 4.520 10.615 ( 8.764 2.578 -1.913) 9.333 10.698 ( -0.539 -0.303 -8.674) 8.696 11.406 ( -4.522 -3.302 -1.206) 5.728 11.444 ( 0.399 3.878 -3.183) 5.033 11.829 ( 0.543 6.173 1.605) 6.402 11.970 ( -10.043 4.688 1.779) 11.225 12.059 ( 4.516 -8.933 -2.023) 10.211 12.155 ( 1.582 5.692 -2.946) 6.602 12.442 ( 6.407 -4.735 3.022) 8.521 12.796 ( -6.395 -6.571 1.007) 9.224 13.242 ( -2.161 6.733 -5.245) 8.804 13.452 ( 3.452 -1.079 -3.020) 4.711 14.074 ( 7.529 3.796 7.351) 11.186 14.969 ( -13.623 -7.661 -8.535) 17.808 15.467 ( -0.241 5.420 -0.426) 5.442 15.944 ( 4.492 5.168 4.453) 8.168 16.158 ( 0.527 -4.606 12.326) 13.169 17.200 ( 0.219 -7.798 -11.795) 14.141 17.323 ( 8.830 9.398 -0.242) 12.898 17.396 ( -3.754 -10.742 0.263) 11.382 18.008 ( -0.603 2.654 4.216) 5.019 18.559 ( 1.988 8.476 1.577) 8.848 19.014 ( 0.015 12.070 -13.592) 18.178 19.137 ( -5.425 -11.495 4.064) 13.344 20.135 ( 0.705 0.290 7.366) 7.405 20.476 ( 0.633 -0.536 -0.557) 0.999 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -22.111 -7.425 -9.806) 25.302 2.253 ( -26.281 -0.989 -10.149) 28.190 3.375 ( -9.535 6.320 4.290) 12.217 3.594 ( 1.857 -1.777 -2.466) 3.562 3.644 ( 0.741 2.061 6.442) 6.804 3.755 ( 3.270 -4.859 1.351) 6.011 3.984 ( 7.043 8.294 4.936) 11.948 4.042 ( -11.058 -4.802 6.382) 13.641 4.323 ( -3.495 3.055 8.333) 9.538 4.546 ( 2.169 -5.202 2.149) 6.032 4.885 ( 1.639 0.448 -8.612) 8.778 5.079 ( -6.579 -3.299 3.259) 8.049 5.332 ( 4.642 8.993 -5.012) 11.293 5.401 ( 6.290 -5.322 -9.336) 12.452 5.742 ( -2.299 -1.630 -7.801) 8.294 6.039 ( 11.108 6.618 9.821) 16.237 6.245 ( 6.431 -9.475 2.340) 11.688 6.523 ( -3.198 1.951 -3.168) 4.906 6.660 ( 4.229 9.282 4.059) 10.978 6.730 ( 8.664 -8.428 -4.712) 12.973 7.272 ( 0.332 -4.781 1.041) 4.904 7.507 ( -2.108 14.419 -4.864) 15.363 8.196 ( 2.803 -13.584 4.432) 14.561 8.370 ( 1.855 5.744 -2.231) 6.436 8.460 ( -2.725 -5.232 8.413) 10.275 8.798 ( -5.856 -0.166 2.953) 6.561 9.546 ( -11.181 2.513 -5.879) 12.880 10.003 ( 6.515 -2.853 4.082) 8.201 10.048 ( 3.178 2.004 2.713) 4.634 10.168 ( 6.260 -1.198 0.381) 6.385 10.290 ( 3.626 -2.626 6.490) 7.884 10.586 ( 1.280 1.527 -8.497) 8.727 10.692 ( 6.949 1.897 -5.339) 8.966 11.375 ( 2.724 -2.268 2.018) 4.079 11.421 ( 0.143 3.609 -4.422) 5.710 11.789 ( -7.275 -3.116 -1.167) 7.999 11.913 ( -4.416 5.435 -0.659) 7.034 12.076 ( 3.922 -4.656 2.312) 6.512 12.199 ( 0.625 7.145 -0.973) 7.238 12.507 ( 4.629 -6.767 1.500) 8.335 12.678 ( -8.435 -3.121 1.877) 9.187 13.162 ( -3.989 7.642 -8.296) 11.964 13.470 ( 5.696 -0.713 -2.204) 6.149 14.260 ( -4.602 -2.880 10.482) 11.805 14.656 ( -0.768 -3.121 -10.000) 10.504 15.472 ( -2.757 2.308 0.484) 3.628 16.162 ( 9.841 7.867 4.074) 13.241 16.333 ( 2.240 -1.386 14.002) 14.247 17.001 ( 0.009 -6.600 -9.113) 11.252 17.215 ( -3.064 -9.173 -4.566) 10.695 17.490 ( 1.795 7.604 0.194) 7.815 18.078 ( -0.940 2.196 5.139) 5.667 18.519 ( -4.524 -1.596 -7.269) 8.710 19.003 ( 5.167 8.423 -9.863) 13.962 19.073 ( -4.051 -3.488 7.706) 9.378 20.233 ( 0.505 -0.765 6.578) 6.642 20.479 ( 0.895 -0.235 -0.085) 0.929 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -26.944 2.645 0.736) 27.083 1.787 ( -31.616 2.495 -2.661) 31.826 3.012 ( -41.888 -3.718 -1.084) 42.066 3.541 ( -1.349 -0.702 2.617) 3.027 3.673 ( -4.739 0.438 -4.206) 6.351 3.788 ( 9.618 -1.968 -0.458) 9.828 4.076 ( 4.283 -3.330 4.934) 7.333 4.141 ( 3.244 5.688 0.384) 6.560 4.548 ( 7.567 -0.779 8.251) 11.223 4.712 ( 1.978 -1.595 6.793) 7.253 4.840 ( 9.355 2.067 1.821) 9.752 5.072 ( -0.889 6.573 3.581) 7.538 5.216 ( 6.262 -7.866 -20.221) 22.582 5.400 ( 4.850 4.807 -3.912) 7.870 5.556 ( -8.080 -2.268 -1.514) 8.528 6.251 ( 0.757 -3.495 -1.151) 3.757 6.409 ( 17.256 2.604 5.433) 18.277 6.469 ( -1.249 0.969 -1.809) 2.403 6.690 ( 3.552 -5.402 -2.503) 6.933 6.805 ( 5.759 3.034 2.261) 6.890 7.298 ( 5.090 0.979 -2.742) 5.864 7.508 ( -5.859 3.829 2.336) 7.379 8.210 ( 5.188 -7.951 1.878) 9.678 8.339 ( -3.689 2.551 -2.909) 5.346 8.532 ( -1.771 -1.312 7.931) 8.232 8.763 ( -6.294 4.949 -0.471) 8.020 9.332 ( -11.068 -1.178 -3.471) 11.659 10.114 ( 8.566 -1.866 -0.655) 8.791 10.141 ( 4.909 -0.085 3.820) 6.221 10.208 ( 0.927 1.450 -2.277) 2.855 10.393 ( 3.406 -2.287 0.072) 4.103 10.525 ( 2.826 1.072 -5.684) 6.437 10.748 ( 5.537 3.297 3.127) 7.163 11.369 ( -0.827 2.166 -4.425) 4.996 11.481 ( 7.577 -5.775 2.900) 9.958 11.718 ( -0.319 1.011 1.571) 1.895 11.820 ( -5.821 -0.820 -4.136) 7.188 12.147 ( 6.114 0.988 0.062) 6.194 12.244 ( -3.666 4.918 3.505) 7.065 12.495 ( -1.488 -9.130 3.407) 9.858 12.592 ( -6.717 0.642 1.175) 6.849 13.049 ( -4.665 8.157 -8.278) 12.523 13.525 ( 5.768 0.174 -0.439) 5.788 14.062 ( -24.820 -6.044 2.346) 25.653 14.784 ( 22.736 0.820 0.025) 22.751 15.459 ( -2.719 0.348 1.663) 3.207 16.325 ( 10.371 -0.069 -6.417) 12.196 16.552 ( 1.132 1.701 10.353) 10.553 16.893 ( 0.515 3.803 -3.649) 5.296 17.091 ( 0.812 -8.759 2.034) 9.029 17.492 ( -7.229 3.903 -0.674) 8.243 18.139 ( -4.929 5.972 2.390) 8.103 18.326 ( -3.269 -5.249 -5.739) 8.436 18.952 ( 5.480 -4.969 -6.148) 9.619 19.161 ( -1.499 4.374 5.041) 6.841 20.314 ( 1.084 0.087 3.822) 3.974 20.489 ( 1.025 -0.066 -0.422) 1.110 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -24.932 12.963 18.050) 33.399 1.481 ( -30.107 9.154 12.626) 33.906 2.495 ( -46.750 1.584 16.595) 49.633 3.528 ( -3.904 -1.081 -6.461) 7.626 3.547 ( 0.827 -2.361 0.225) 2.512 3.948 ( 10.487 1.511 2.243) 10.830 4.131 ( 5.878 0.810 -9.568) 11.259 4.173 ( 2.623 -4.793 3.442) 6.457 4.582 ( 1.959 -2.828 -11.832) 12.322 4.662 ( 1.239 -3.553 -5.467) 6.637 4.905 ( 1.200 -2.286 -13.696) 13.937 5.168 ( 5.207 -4.974 9.443) 11.875 5.222 ( 8.755 8.906 -1.055) 12.533 5.482 ( 1.608 7.862 2.627) 8.444 5.545 ( 2.222 -1.565 10.965) 11.297 6.171 ( -2.820 1.790 -7.506) 8.215 6.448 ( -2.302 -0.131 0.817) 2.446 6.520 ( 12.149 -9.191 -5.976) 16.364 6.721 ( 0.200 -2.655 2.238) 3.478 7.014 ( 9.317 9.459 5.395) 14.331 7.299 ( 0.711 5.554 -6.712) 8.741 7.487 ( -0.063 -11.735 6.334) 13.336 8.227 ( 1.078 0.914 -3.546) 3.817 8.300 ( 0.979 1.620 0.057) 1.894 8.567 ( -6.053 -3.434 3.469) 7.776 8.675 ( -5.985 6.607 -3.566) 9.601 9.198 ( -9.128 -0.703 4.520) 10.210 10.147 ( 3.712 -0.135 -7.101) 8.014 10.171 ( 8.335 -1.540 -5.160) 9.923 10.306 ( 3.042 -0.075 8.761) 9.275 10.359 ( 1.967 1.126 -4.942) 5.437 10.525 ( 2.235 2.230 -2.806) 4.224 10.944 ( 6.424 0.553 9.130) 11.178 11.315 ( -0.704 0.013 -3.020) 3.101 11.478 ( -0.885 -4.746 -0.971) 4.924 11.735 ( 1.837 -4.752 0.378) 5.109 11.826 ( 6.451 1.932 1.833) 6.979 12.214 ( -0.807 2.998 -2.840) 4.208 12.298 ( 5.513 3.635 4.741) 8.129 12.409 ( -10.123 -2.975 1.279) 10.628 12.606 ( 0.324 -2.492 9.185) 9.522 12.953 ( -4.435 6.715 -4.788) 9.364 13.597 ( 4.204 0.522 0.544) 4.271 13.730 ( -24.693 0.703 0.091) 24.703 15.104 ( 23.346 -4.264 3.175) 23.944 15.440 ( -3.863 -1.795 1.000) 4.376 16.276 ( 8.922 -4.556 -13.315) 16.663 16.460 ( -6.284 -0.302 -15.282) 16.526 17.045 ( 3.451 11.240 8.210) 14.340 17.207 ( 2.751 -2.741 10.540) 11.233 17.384 ( -9.238 -1.718 4.278) 10.324 18.035 ( -10.812 -0.477 0.824) 10.854 18.318 ( 4.423 8.214 -2.443) 9.644 18.933 ( 6.769 -7.649 -1.213) 10.286 19.198 ( -2.746 -1.553 3.341) 4.595 20.317 ( -1.796 0.003 -5.914) 6.181 20.490 ( 0.722 0.157 -0.498) 0.891 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -13.036 3.218 26.550) 29.753 2.470 ( -11.319 15.715 26.247) 32.619 3.112 ( 15.609 3.396 -9.223) 18.446 3.219 ( 9.387 -12.119 -12.594) 19.839 3.468 ( 6.246 -5.966 -14.598) 16.962 3.831 ( -3.912 3.656 -5.702) 7.822 3.954 ( 0.797 1.804 7.334) 7.595 4.096 ( -8.030 11.269 26.531) 29.923 4.320 ( -1.941 1.934 5.797) 6.412 4.454 ( -5.657 -3.538 2.469) 7.114 4.818 ( -0.348 -1.445 2.450) 2.866 5.131 ( 6.453 0.396 -13.353) 14.836 5.280 ( 0.702 -1.988 -0.590) 2.189 5.531 ( -12.057 -4.196 4.473) 13.527 5.667 ( 15.835 -1.788 -15.392) 22.155 5.996 ( 5.507 6.799 -5.597) 10.387 6.380 ( 1.613 -8.986 2.188) 9.388 6.616 ( 1.015 1.605 1.948) 2.720 6.667 ( -6.104 -3.640 -0.614) 7.133 6.956 ( -6.242 -4.693 -7.239) 10.648 7.090 ( -0.253 2.441 -6.570) 7.013 7.757 ( 8.602 3.758 5.227) 10.744 7.973 ( -7.749 -7.028 -2.218) 10.694 8.290 ( -0.797 -0.678 2.525) 2.733 8.622 ( 0.855 1.143 4.036) 4.281 8.701 ( 3.665 -1.113 3.856) 5.436 9.420 ( -5.123 3.760 2.735) 6.918 9.828 ( 0.748 -3.378 -4.328) 5.540 10.028 ( 1.038 -2.348 -3.637) 4.452 10.230 ( 0.650 -0.732 1.552) 1.835 10.412 ( 1.868 -3.419 0.100) 3.898 10.664 ( -2.087 6.815 -2.415) 7.526 10.966 ( -0.995 -9.656 -3.595) 10.352 11.357 ( 3.285 7.761 -2.590) 8.817 11.537 ( 6.269 -8.453 -0.191) 10.526 11.716 ( 2.121 -1.163 -1.197) 2.699 11.759 ( 1.047 3.558 1.352) 3.948 12.104 ( -2.590 0.288 -3.567) 4.418 12.342 ( -5.789 3.518 -0.340) 6.783 12.553 ( -0.621 -5.120 -0.371) 5.171 12.701 ( 2.618 -8.826 9.299) 13.085 13.247 ( 6.308 9.278 -2.639) 11.525 13.615 ( -1.301 0.132 -2.437) 2.766 13.783 ( -12.002 9.769 7.890) 17.370 15.019 ( 5.369 -7.548 -7.260) 11.769 15.372 ( -1.868 1.956 2.246) 3.516 15.948 ( 1.810 -5.399 -1.348) 5.852 16.264 ( 15.940 6.724 4.395) 17.850 16.880 ( -21.945 -1.725 -4.833) 22.537 17.520 ( 1.104 -6.784 0.742) 6.913 17.723 ( 8.089 0.837 4.744) 9.415 17.966 ( -9.240 -2.193 3.692) 10.189 18.330 ( -5.108 17.188 -9.315) 20.206 18.862 ( 8.964 -9.900 -0.754) 13.377 19.434 ( 7.600 4.246 -1.011) 8.764 19.943 ( -8.212 2.234 4.058) 9.428 20.498 ( -0.168 -0.752 -0.260) 0.813 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -5.910 2.742 23.413) 24.302 2.794 ( -0.893 8.190 18.170) 19.950 3.035 ( -2.316 -7.926 -7.044) 10.854 3.218 ( 13.536 0.914 -4.627) 14.334 3.357 ( 7.646 -3.327 -11.218) 13.978 3.685 ( -5.272 3.133 -5.883) 8.498 4.086 ( 4.614 5.861 3.334) 8.170 4.216 ( -7.470 2.628 -3.551) 8.678 4.495 ( 2.094 -5.216 10.950) 12.308 4.680 ( -3.184 14.722 33.478) 36.711 4.761 ( -2.966 -7.259 -1.060) 7.913 5.027 ( 1.148 1.607 -10.587) 10.770 5.244 ( 3.474 0.624 -4.038) 5.363 5.506 ( -1.248 -7.009 9.084) 11.541 5.601 ( 8.207 -2.686 -14.721) 17.067 5.939 ( -1.326 1.684 -10.282) 10.503 6.375 ( -0.992 -6.105 2.401) 6.635 6.444 ( -6.911 -6.422 -7.911) 12.312 6.652 ( 1.103 -1.208 -0.760) 1.804 6.796 ( -4.902 4.318 -4.521) 7.944 7.085 ( 7.293 3.744 -5.794) 10.039 7.778 ( -8.434 -5.833 1.139) 10.317 7.959 ( 7.607 -0.690 2.700) 8.102 8.310 ( -1.720 0.735 1.898) 2.665 8.621 ( -3.647 -4.133 3.515) 6.537 8.859 ( 4.675 -1.708 7.843) 9.289 9.414 ( -0.607 3.155 0.739) 3.297 9.812 ( 2.341 -1.660 1.721) 3.346 9.959 ( -1.800 -1.311 -2.748) 3.536 10.257 ( -1.328 -1.335 2.045) 2.779 10.415 ( 0.672 -1.248 0.134) 1.424 10.562 ( -6.275 -0.225 -7.391) 9.698 10.811 ( -0.844 -7.097 -6.596) 9.726 11.404 ( 1.799 5.245 -3.102) 6.354 11.576 ( 9.986 -6.876 1.043) 12.170 11.680 ( -0.431 2.450 -5.043) 5.623 11.891 ( 2.544 3.517 7.057) 8.285 12.029 ( -3.493 8.014 -7.319) 11.401 12.257 ( -2.612 -6.196 1.924) 6.994 12.493 ( -5.934 -3.219 -0.571) 6.775 12.781 ( 4.048 -7.910 6.220) 10.847 13.333 ( 4.858 6.905 -5.862) 10.278 13.539 ( -2.600 0.410 -4.532) 5.241 13.830 ( -8.077 4.980 10.093) 13.853 14.993 ( 10.727 2.997 -8.969) 14.300 15.425 ( 0.005 0.775 4.914) 4.974 15.937 ( 1.360 -9.676 4.403) 10.717 16.481 ( -13.898 3.340 -4.635) 15.026 16.658 ( 8.945 3.006 8.627) 12.786 17.425 ( 0.341 -5.912 -9.484) 11.181 17.700 ( -5.690 -9.067 -0.083) 10.705 18.001 ( -2.479 3.237 6.596) 7.755 18.343 ( -1.048 18.249 -0.499) 18.286 18.880 ( 9.669 -4.545 -6.859) 12.696 19.443 ( 0.545 -1.100 -6.147) 6.269 20.012 ( -3.736 4.532 11.267) 12.706 20.481 ( -0.152 -0.989 -0.817) 1.292 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -3.969 -10.822 -4.117) 12.240 2.986 ( -0.298 7.364 12.770) 14.745 3.045 ( -1.323 1.316 2.602) 3.202 3.268 ( 0.814 -0.376 2.757) 2.899 3.395 ( 10.548 0.984 2.397) 10.862 3.641 ( -2.029 6.034 1.683) 6.585 4.077 ( -10.823 2.508 -0.833) 11.141 4.234 ( 3.150 4.070 3.672) 6.322 4.465 ( -5.767 -7.033 -7.953) 12.082 4.714 ( 5.969 -3.574 6.912) 9.807 4.903 ( -2.600 2.318 -6.381) 7.270 5.125 ( 0.704 6.877 5.455) 8.806 5.281 ( 6.783 -2.462 -1.389) 7.348 5.527 ( 4.900 -1.714 -1.279) 5.347 5.562 ( -1.110 -12.540 10.031) 16.096 5.790 ( -3.352 8.340 -6.637) 11.173 6.161 ( -4.664 -5.085 -7.724) 10.357 6.440 ( 6.037 -3.622 -0.105) 7.040 6.622 ( -3.371 3.116 0.093) 4.591 6.732 ( -3.211 3.499 -2.958) 5.595 7.160 ( 9.855 4.396 -4.926) 11.862 7.631 ( -6.387 -6.109 -2.003) 9.063 8.084 ( 5.270 -1.727 5.068) 7.513 8.290 ( -3.628 1.510 -0.967) 4.047 8.582 ( -3.639 -6.975 4.033) 8.840 8.947 ( -1.440 -2.701 4.741) 5.643 9.535 ( 7.429 2.888 7.317) 10.820 9.883 ( 4.751 -2.028 1.991) 5.536 9.908 ( -2.880 1.068 1.119) 3.269 10.175 ( -8.394 -2.693 -3.249) 9.395 10.343 ( -4.173 -1.464 -6.275) 7.677 10.462 ( 2.809 0.390 -1.041) 3.021 10.679 ( 1.577 -3.855 -7.454) 8.539 11.421 ( 1.316 2.122 -1.191) 2.766 11.571 ( -5.307 -0.766 -2.353) 5.855 11.730 ( 13.371 -1.318 -2.682) 13.701 11.915 ( -7.500 6.407 -0.102) 9.865 12.060 ( 3.646 8.697 0.458) 9.441 12.268 ( 2.946 -6.384 3.718) 7.953 12.356 ( -7.746 -3.640 -0.220) 8.562 12.830 ( 2.656 -5.755 1.330) 6.477 13.296 ( -1.546 0.254 -5.195) 5.426 13.464 ( -1.917 2.820 -3.844) 5.138 13.927 ( 0.516 2.864 6.986) 7.568 15.047 ( 8.519 2.527 -7.762) 11.798 15.498 ( -1.550 2.650 4.868) 5.755 15.930 ( -1.075 -8.481 3.602) 9.276 16.266 ( -11.469 1.041 3.231) 11.961 16.995 ( 13.799 6.025 8.211) 17.150 17.219 ( -0.713 -5.009 -12.823) 13.785 17.541 ( -6.631 -8.238 -2.185) 10.799 18.063 ( -3.377 2.916 5.918) 7.411 18.511 ( 1.831 14.305 3.517) 14.845 18.855 ( 8.427 0.551 -11.356) 14.152 19.322 ( -4.525 -6.325 -2.579) 8.194 20.147 ( -1.859 3.492 8.660) 9.521 20.461 ( 0.347 -0.871 -1.068) 1.421 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -11.684 -5.645 -6.650) 14.581 2.832 ( -18.070 1.954 -5.864) 19.098 3.287 ( 9.538 2.635 7.696) 12.536 3.432 ( 6.941 -2.166 3.469) 8.056 3.523 ( 6.333 -2.222 6.506) 9.348 3.786 ( -0.540 8.171 9.039) 12.197 3.979 ( -8.920 3.580 3.946) 10.390 4.208 ( -7.462 0.061 -2.554) 7.888 4.362 ( 7.994 -4.727 -0.811) 9.322 4.762 ( -9.622 0.606 -3.517) 10.263 4.832 ( 2.785 -0.721 0.444) 2.911 5.170 ( 3.757 3.361 -5.917) 7.773 5.224 ( 4.375 -1.552 -6.928) 8.339 5.363 ( -9.502 -8.280 -3.916) 13.197 5.734 ( 1.806 -3.338 10.418) 11.088 5.849 ( 6.709 6.803 -3.546) 10.191 6.061 ( 2.194 -3.980 1.105) 4.678 6.463 ( 7.021 -4.074 -4.010) 9.054 6.668 ( -2.212 6.419 3.677) 7.721 6.677 ( -4.775 3.427 1.028) 5.967 7.225 ( 6.296 -0.261 -5.794) 8.561 7.513 ( -1.610 0.573 -1.098) 2.031 8.176 ( -0.604 -4.310 2.263) 4.906 8.266 ( 2.925 2.994 1.348) 4.397 8.544 ( -2.363 -6.157 3.642) 7.533 8.941 ( -4.261 -1.645 3.205) 5.580 9.762 ( 1.969 1.555 5.094) 5.678 9.863 ( -2.946 3.712 -2.500) 5.358 9.987 ( 6.925 -1.184 2.789) 7.558 10.011 ( -1.227 -3.489 -0.753) 3.774 10.246 ( -0.571 -2.602 0.115) 2.666 10.494 ( 4.133 0.898 -3.168) 5.284 10.591 ( 1.665 -0.235 -6.423) 6.639 11.424 ( -0.460 1.046 -1.628) 1.989 11.462 ( -7.225 -0.824 0.575) 7.295 11.774 ( 5.536 1.664 -8.080) 9.935 11.957 ( 4.359 -1.883 3.859) 6.119 12.144 ( -4.151 8.483 -0.051) 9.444 12.203 ( -5.753 0.524 1.814) 6.055 12.370 ( 5.520 -5.354 3.147) 8.309 12.802 ( -0.799 -3.719 -1.118) 3.965 13.215 ( -0.872 0.348 -3.922) 4.033 13.418 ( -1.861 1.999 -1.943) 3.352 14.070 ( 7.604 1.651 4.209) 8.847 14.954 ( -7.861 -5.024 -6.072) 11.131 15.544 ( -2.888 3.682 2.611) 5.359 15.947 ( 5.126 0.577 1.885) 5.492 16.296 ( -0.631 0.324 8.898) 8.926 17.018 ( -0.925 -5.432 -7.784) 9.537 17.282 ( 6.338 4.376 1.569) 7.860 17.363 ( -2.137 -4.315 -2.264) 5.321 18.125 ( -2.481 1.684 6.179) 6.869 18.605 ( -2.060 5.390 -2.744) 6.390 18.838 ( 7.399 3.814 -7.965) 11.520 19.199 ( -4.535 -5.319 1.119) 7.079 20.243 ( -1.285 1.465 5.956) 6.267 20.451 ( 1.087 -0.529 -1.011) 1.577 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -19.340 5.131 0.407) 20.013 2.516 ( -24.578 3.093 -1.778) 24.835 3.403 ( 4.573 -10.030 -4.084) 11.755 3.497 ( 7.028 0.812 4.496) 8.382 3.611 ( 0.441 -3.936 -8.908) 9.749 3.819 ( -2.772 0.271 3.659) 4.599 4.064 ( 0.969 4.425 5.210) 6.904 4.241 ( -2.806 3.173 11.285) 12.054 4.474 ( 6.192 -2.677 4.609) 8.170 4.566 ( -11.840 2.128 2.475) 12.281 4.835 ( 0.487 -2.602 -0.917) 2.801 5.041 ( 3.702 -3.473 -14.519) 15.381 5.155 ( -5.318 0.792 -2.976) 6.145 5.302 ( 2.068 8.875 -2.378) 9.418 5.737 ( -5.159 -2.543 -1.108) 5.857 5.968 ( 12.736 -1.425 -1.999) 12.971 6.146 ( 6.833 -2.662 6.718) 9.945 6.470 ( 4.581 -1.472 -3.390) 5.886 6.624 ( -2.111 -2.406 0.208) 3.208 6.766 ( -2.208 8.544 2.707) 9.230 7.169 ( 4.739 -7.342 -5.106) 10.121 7.589 ( 1.632 10.906 1.811) 11.175 8.119 ( -0.186 -9.753 1.030) 9.809 8.370 ( 2.486 4.222 -0.408) 4.917 8.549 ( -0.216 -0.800 4.650) 4.724 8.915 ( -5.116 0.413 2.576) 5.743 9.584 ( -9.532 0.501 -9.801) 13.681 9.920 ( 5.610 -0.764 -0.867) 5.728 10.034 ( 2.437 -0.055 0.713) 2.540 10.180 ( 5.362 1.950 8.765) 10.459 10.288 ( 3.613 -3.571 2.907) 5.853 10.489 ( 0.950 0.885 -1.787) 2.208 10.563 ( 6.105 1.946 -4.010) 7.559 11.383 ( -2.334 -3.514 1.911) 4.631 11.408 ( -2.739 3.654 -2.232) 5.083 11.726 ( 1.491 -3.601 -4.148) 5.692 12.017 ( 2.147 -3.364 1.797) 4.377 12.069 ( -8.743 2.882 -0.408) 9.215 12.260 ( 2.304 6.797 -0.003) 7.177 12.435 ( 3.976 -4.316 3.685) 6.930 12.750 ( -2.991 -0.043 -0.795) 3.096 13.159 ( -3.420 1.796 -2.590) 4.651 13.410 ( 1.434 1.788 -0.172) 2.299 14.267 ( 14.929 0.755 2.283) 15.121 14.661 ( -18.854 -7.210 -2.581) 20.350 15.546 ( -3.642 1.326 1.373) 4.112 16.071 ( 9.250 2.337 -3.039) 10.013 16.450 ( 5.219 2.568 7.989) 9.882 16.931 ( -1.865 -2.558 1.661) 3.575 17.115 ( -4.022 -4.506 -8.846) 10.711 17.514 ( 5.151 4.721 3.351) 7.749 18.186 ( -1.282 2.398 3.971) 4.812 18.503 ( -7.085 -0.184 -4.273) 8.276 18.816 ( 4.603 -6.312 -6.089) 9.905 19.197 ( -1.112 3.652 3.734) 5.340 20.302 ( -0.155 0.217 3.373) 3.384 20.453 ( 1.608 -0.186 -0.976) 1.891 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -23.435 14.941 11.047) 29.908 2.234 ( -27.429 5.634 6.197) 28.679 3.221 ( -7.846 -13.267 -6.153) 16.596 3.458 ( 5.544 -3.295 -10.148) 12.024 3.647 ( 6.583 1.594 1.209) 6.880 3.809 ( -3.313 -0.601 2.891) 4.438 4.143 ( -0.955 0.399 -1.734) 2.019 4.174 ( -14.824 -6.756 6.499) 17.540 4.481 ( 0.876 4.692 -2.332) 5.312 4.711 ( 1.868 -11.787 -11.673) 16.694 4.819 ( 14.425 3.601 9.287) 17.529 4.922 ( -6.232 5.910 -1.337) 8.692 5.156 ( 1.196 6.333 2.629) 6.960 5.378 ( 3.751 6.803 1.667) 7.945 5.623 ( -5.444 -0.179 -1.899) 5.768 6.001 ( 12.032 -9.853 -9.177) 18.058 6.367 ( 4.853 2.019 5.871) 7.880 6.459 ( 2.102 3.448 -2.423) 4.709 6.624 ( 3.470 -3.188 2.866) 5.515 6.830 ( 1.414 4.943 2.698) 5.806 7.146 ( 8.247 -6.134 -3.616) 10.896 7.663 ( -6.746 5.696 2.529) 9.184 8.093 ( 5.886 -7.171 -0.005) 9.277 8.360 ( -2.451 3.263 -3.208) 5.191 8.631 ( 0.688 2.285 3.967) 4.629 8.858 ( -6.855 3.560 -3.558) 8.505 9.385 ( -5.940 -2.028 -2.131) 6.628 9.956 ( 6.566 -0.818 -4.267) 7.873 10.065 ( 3.754 0.105 -3.973) 5.467 10.283 ( 0.277 -0.795 1.804) 1.991 10.332 ( -1.212 0.098 6.309) 6.425 10.483 ( 1.691 4.484 -4.136) 6.330 10.728 ( 10.008 1.203 7.195) 12.384 11.361 ( -2.148 2.532 -1.901) 3.826 11.401 ( 3.474 -5.443 2.786) 7.033 11.663 ( -0.704 -4.861 -1.121) 5.038 11.936 ( -8.859 2.174 -1.712) 9.281 12.069 ( 5.438 -2.413 0.489) 5.970 12.319 ( 0.851 4.020 -0.253) 4.117 12.528 ( 2.152 -2.590 6.825) 7.611 12.687 ( -5.581 2.614 -1.784) 6.416 13.078 ( -6.090 2.387 -1.843) 6.796 13.479 ( 4.039 2.630 1.933) 5.193 14.309 ( -14.716 -4.430 -5.948) 16.479 14.552 ( 13.399 -0.580 7.895) 15.563 15.521 ( -2.857 -1.699 1.782) 3.771 16.077 ( 6.198 -1.292 -10.132) 11.947 16.606 ( -1.723 -2.680 -1.748) 3.634 16.865 ( 4.712 8.637 -4.710) 10.908 17.115 ( 3.080 -3.046 12.061) 12.816 17.597 ( -2.953 3.326 2.158) 4.944 18.227 ( 1.922 3.885 -3.036) 5.292 18.342 ( -11.807 -0.789 1.110) 11.886 18.755 ( 6.318 -10.197 -2.648) 12.284 19.259 ( -1.762 2.467 3.436) 4.583 20.320 ( 0.804 -0.790 -1.962) 2.262 20.463 ( 1.327 0.383 -0.328) 1.420 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -22.924 15.607 21.035) 34.807 2.100 ( -24.357 10.029 15.421) 30.524 2.982 ( -6.240 -5.151 -1.190) 8.179 3.384 ( 6.390 -5.453 -8.445) 11.912 3.671 ( -3.220 -1.345 0.524) 3.528 3.855 ( -0.384 1.351 4.020) 4.259 3.958 ( -5.965 -3.346 -5.804) 8.970 4.132 ( 1.216 -7.363 -1.968) 7.718 4.400 ( -3.167 2.776 -10.895) 11.681 4.535 ( -0.679 -5.124 -1.214) 5.309 4.868 ( -5.773 9.036 -3.628) 11.320 5.115 ( 11.254 3.614 3.319) 12.277 5.236 ( -0.541 -4.469 4.605) 6.440 5.545 ( 12.096 -1.376 -0.588) 12.188 5.619 ( -0.258 12.397 3.802) 12.969 5.911 ( 6.484 -10.156 -9.937) 15.618 6.367 ( 1.688 -0.483 -3.043) 3.514 6.535 ( -2.775 2.852 4.980) 6.375 6.689 ( 3.394 -3.304 1.202) 4.887 7.013 ( 9.104 9.300 1.349) 13.084 7.194 ( 9.774 -3.825 1.693) 10.631 7.563 ( -11.346 -7.494 2.379) 13.804 8.152 ( 6.253 1.567 -1.751) 6.680 8.311 ( -1.853 3.336 -2.317) 4.464 8.640 ( -7.259 -3.690 -1.601) 8.299 8.718 ( -2.803 4.434 -4.576) 6.961 9.349 ( -4.225 1.399 5.220) 6.860 9.969 ( 7.410 -2.129 -5.734) 9.608 10.027 ( 2.028 0.553 -4.914) 5.345 10.316 ( -1.600 1.551 -1.406) 2.635 10.382 ( 4.810 -2.547 2.088) 5.829 10.505 ( -2.092 6.757 2.344) 7.452 10.938 ( 7.936 -1.281 5.044) 9.490 11.326 ( -3.252 1.768 -0.320) 3.715 11.442 ( 3.296 -4.548 1.501) 5.814 11.627 ( 2.172 -3.844 0.653) 4.463 11.860 ( -2.038 -0.762 -0.819) 2.325 12.141 ( 5.946 0.998 -0.693) 6.069 12.371 ( 0.287 4.722 4.256) 6.364 12.499 ( -7.256 -4.383 -1.739) 8.654 12.688 ( 0.007 1.393 2.645) 2.990 13.032 ( -3.847 3.682 3.151) 6.188 13.575 ( 3.081 2.231 1.869) 4.238 14.017 ( -18.425 1.699 -2.682) 18.696 14.845 ( 18.649 -4.396 5.369) 19.898 15.498 ( -2.907 -3.815 2.623) 5.467 15.994 ( 5.530 -2.026 -9.667) 11.320 16.327 ( -8.331 -1.249 -16.363) 18.404 17.123 ( 12.534 8.964 6.895) 16.882 17.308 ( 1.468 -1.246 10.322) 10.500 17.539 ( -10.181 -0.136 1.050) 10.236 18.156 ( -5.960 -6.026 1.711) 8.646 18.318 ( 0.049 15.536 -4.416) 16.152 18.768 ( 7.943 -11.251 2.349) 13.971 19.271 ( -3.343 -1.657 3.465) 5.092 20.237 ( -1.521 -1.148 -8.601) 8.810 20.484 ( 0.799 0.387 0.715) 1.140 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 17.436 -3.106 -11.067) 20.884 2.621 ( 7.699 -20.609 -6.792) 23.025 2.801 ( 2.825 4.144 3.554) 6.147 3.092 ( -5.517 14.838 15.889) 22.429 3.416 ( -8.312 5.148 2.943) 10.210 3.832 ( -3.903 -1.232 -1.542) 4.374 3.981 ( 1.223 5.952 4.790) 7.738 4.299 ( 0.292 4.017 1.779) 4.403 4.369 ( 11.678 -5.303 -3.443) 13.280 4.726 ( 11.688 -7.586 -10.475) 17.432 4.848 ( -6.630 0.498 12.304) 13.985 5.021 ( -8.881 9.891 13.082) 18.650 5.204 ( 0.055 -7.617 -2.786) 8.111 5.348 ( 4.939 7.485 -6.718) 11.205 5.669 ( -8.890 -10.331 2.323) 13.826 5.875 ( 3.563 4.027 -8.392) 9.967 6.320 ( 2.455 -3.341 3.443) 5.390 6.636 ( -1.205 -0.809 -2.490) 2.882 6.678 ( -2.653 -3.617 -3.562) 5.728 6.947 ( -4.434 -0.271 1.466) 4.678 7.092 ( -11.859 0.869 -7.603) 14.113 7.685 ( 13.163 6.890 0.440) 14.864 8.050 ( -9.973 -4.576 0.926) 11.011 8.318 ( 1.018 -2.427 3.124) 4.085 8.656 ( 4.335 2.627 3.597) 6.215 8.708 ( 2.406 -2.891 5.087) 6.326 9.457 ( -0.524 -1.086 -4.380) 4.543 9.822 ( -3.003 0.545 3.451) 4.607 9.984 ( -0.224 -1.917 0.641) 2.034 10.283 ( -2.767 1.680 3.405) 4.699 10.357 ( 3.184 -2.588 0.191) 4.108 10.652 ( 1.001 -2.589 -5.693) 6.334 10.895 ( -4.878 0.779 -4.718) 6.831 11.373 ( -1.562 3.761 -0.362) 4.089 11.410 ( 3.994 -2.885 -1.823) 5.254 11.648 ( 1.666 -0.254 -2.957) 3.403 11.821 ( 1.214 3.788 4.301) 5.859 12.099 ( -4.006 -1.877 -2.116) 4.904 12.431 ( -5.177 3.019 -4.489) 7.488 12.497 ( 3.798 -2.700 3.049) 5.568 12.712 ( 2.768 -4.829 4.646) 7.250 13.161 ( 4.296 2.169 -5.969) 7.668 13.593 ( -1.603 -1.849 -2.481) 3.485 14.053 ( -1.930 6.120 6.780) 9.335 14.804 ( -0.138 -5.647 -7.201) 9.152 15.477 ( -3.532 5.906 0.270) 6.887 15.889 ( 1.939 -1.896 2.304) 3.558 16.239 ( 11.046 2.987 12.027) 16.600 17.052 ( -18.297 -5.043 -4.976) 19.620 17.423 ( 0.092 -1.215 -7.871) 7.965 17.661 ( 9.162 -2.042 2.912) 9.828 18.114 ( -5.883 -2.450 4.254) 7.662 18.383 ( 1.614 8.990 -3.374) 9.737 18.701 ( 0.654 -1.804 -3.521) 4.011 19.351 ( 4.528 1.992 -2.941) 5.755 20.109 ( -2.043 1.860 8.162) 8.617 20.490 ( -0.471 -0.537 -0.726) 1.019 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 13.173 -19.089 -12.616) 26.402 2.692 ( 20.224 -6.607 -6.346) 22.202 3.017 ( 1.063 9.618 14.878) 17.748 3.262 ( -1.444 6.769 2.808) 7.469 3.442 ( -10.721 8.945 10.553) 17.502 3.753 ( -5.501 3.874 0.221) 6.732 4.109 ( 2.768 3.222 3.990) 5.828 4.302 ( -3.777 3.667 0.971) 5.353 4.536 ( 7.765 -3.915 7.765) 11.658 4.643 ( 3.185 -0.647 -10.055) 10.567 4.823 ( -0.140 -4.808 -6.210) 7.855 5.111 ( 4.925 -2.390 -3.767) 6.645 5.217 ( -2.018 1.489 3.560) 4.355 5.350 ( 2.127 2.710 0.217) 3.452 5.581 ( -3.106 -9.814 9.959) 14.323 5.820 ( 0.681 3.800 -5.764) 6.938 6.374 ( -0.347 -0.499 0.461) 0.763 6.428 ( -10.861 -7.250 -5.387) 14.126 6.623 ( 0.423 0.390 -1.442) 1.552 6.897 ( -3.523 -1.295 0.238) 3.761 6.962 ( -1.873 8.733 -4.637) 10.063 7.803 ( 0.552 -8.646 -1.544) 8.800 7.961 ( -1.762 7.621 2.400) 8.182 8.355 ( -0.082 -2.248 3.155) 3.875 8.655 ( -2.151 -4.078 0.662) 4.658 8.884 ( 5.952 -2.592 7.896) 10.222 9.416 ( 2.153 1.959 -0.998) 3.077 9.843 ( -1.821 -0.515 4.123) 4.537 9.978 ( -2.449 -0.814 2.609) 3.670 10.280 ( -0.494 0.911 -0.725) 1.265 10.417 ( 1.384 -1.365 4.032) 4.477 10.498 ( -3.771 -4.746 -9.754) 11.484 10.723 ( -6.941 -0.226 -8.657) 11.098 11.380 ( 1.139 5.970 -3.489) 7.008 11.431 ( 6.270 -6.226 1.594) 8.979 11.652 ( 0.647 4.024 -2.607) 4.838 11.952 ( 3.600 6.023 4.423) 8.294 12.038 ( -0.181 -0.437 -0.878) 0.997 12.303 ( -6.531 -3.646 -0.704) 7.513 12.523 ( -3.746 0.154 -1.240) 3.949 12.745 ( 3.348 -6.286 2.923) 7.698 13.199 ( 8.254 2.641 -4.823) 9.918 13.502 ( -2.290 -2.636 -3.795) 5.157 14.123 ( -11.253 4.745 8.191) 14.705 14.731 ( 11.858 -0.526 -8.478) 14.587 15.514 ( -0.279 5.205 2.073) 5.610 15.935 ( -0.199 -4.942 6.283) 7.996 16.557 ( 3.410 6.144 3.999) 8.085 16.767 ( -8.239 -5.866 5.193) 11.369 17.253 ( -1.887 -1.828 -12.824) 13.090 17.672 ( -1.512 -6.165 -2.261) 6.738 18.142 ( -2.265 -0.953 7.376) 7.775 18.467 ( 3.678 12.394 -0.160) 12.929 18.659 ( 3.230 0.952 -5.994) 6.875 19.348 ( 1.830 -2.500 -3.691) 4.819 20.214 ( -2.549 2.844 8.089) 8.945 20.464 ( -0.571 -0.860 -1.149) 1.544 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 8.177 -11.994 -7.153) 16.183 2.845 ( 19.101 -5.442 -2.667) 20.040 3.237 ( -5.555 8.007 4.001) 10.535 3.350 ( -1.984 5.141 8.677) 10.279 3.456 ( -3.099 4.391 5.028) 7.359 3.809 ( -0.868 5.895 4.917) 7.726 4.173 ( 4.430 -2.617 -2.493) 5.717 4.268 ( -11.118 1.953 3.518) 11.824 4.447 ( -8.668 -1.179 -6.935) 11.164 4.657 ( 3.783 -1.998 2.966) 5.206 4.810 ( 8.888 2.074 -5.890) 10.862 5.115 ( 4.476 -2.243 -8.963) 10.266 5.143 ( 0.897 1.524 2.159) 2.790 5.397 ( 4.987 -12.912 0.059) 13.842 5.714 ( -0.040 -2.410 13.958) 14.165 5.794 ( -2.191 5.618 -2.793) 6.645 6.140 ( -7.979 0.728 -7.246) 10.803 6.391 ( -1.950 -1.152 0.294) 2.284 6.651 ( 3.162 1.216 0.614) 3.443 6.845 ( -5.327 0.597 1.853) 5.672 7.012 ( 5.026 6.464 -1.167) 8.271 7.642 ( -6.597 -7.758 -2.951) 10.603 8.084 ( 4.556 4.491 3.053) 7.089 8.343 ( -4.074 -1.443 0.375) 4.338 8.589 ( -1.720 -4.630 -0.852) 5.012 8.977 ( 1.785 -1.992 1.822) 3.237 9.559 ( 8.356 1.786 9.180) 12.542 9.865 ( -0.188 -1.756 2.038) 2.697 9.988 ( -2.076 0.431 3.484) 4.079 10.206 ( -9.990 -0.606 -7.958) 12.786 10.291 ( -1.604 0.125 -5.697) 5.920 10.463 ( -1.980 -0.693 2.792) 3.492 10.543 ( 0.436 -1.486 -6.846) 7.019 11.402 ( 1.845 1.052 -0.271) 2.142 11.518 ( 10.248 -1.105 -1.772) 10.458 11.636 ( -3.965 1.946 0.375) 4.433 11.982 ( -2.876 6.173 -3.872) 7.834 12.141 ( 3.450 1.586 5.970) 7.076 12.232 ( 0.156 -4.594 2.414) 5.192 12.414 ( -6.349 -0.812 -2.724) 6.956 12.773 ( 2.022 -3.477 0.673) 4.078 13.221 ( 2.310 -0.327 -3.959) 4.596 13.435 ( 0.811 -0.627 -2.051) 2.293 14.079 ( -9.478 1.067 4.286) 10.456 14.849 ( 13.785 3.962 -3.797) 14.837 15.579 ( 1.038 2.520 1.813) 3.274 15.951 ( -3.807 -5.208 4.286) 7.745 16.426 ( -9.403 -0.738 -0.851) 9.470 17.002 ( 9.935 2.646 6.689) 12.266 17.055 ( -0.942 -0.498 -5.846) 5.943 17.528 ( -6.477 -5.321 -4.436) 9.483 18.189 ( -2.043 -0.990 4.761) 5.274 18.619 ( 9.355 0.856 -5.601) 10.937 18.647 ( -1.746 11.534 2.453) 11.920 19.273 ( -1.038 -5.716 -2.689) 6.402 20.287 ( -1.764 1.964 4.091) 4.869 20.437 ( -0.281 -0.700 -0.957) 1.218 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.000 -0.000 -0.000) 0.000 2.963 ( -0.000 0.000 -0.000) 0.000 3.201 ( 0.000 0.000 -0.000) 0.000 3.380 ( 0.000 -0.000 0.000) 0.000 3.611 ( 0.000 -0.000 0.000) 0.000 3.836 ( 0.000 -0.000 -0.000) 0.000 4.143 ( -0.000 0.000 0.000) 0.000 4.196 ( 0.000 -0.000 -0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 -0.000 -0.000) 0.000 4.801 ( 0.000 -0.000 -0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 -0.000) 0.000 5.294 ( 0.000 0.000 -0.000) 0.000 5.774 ( 0.000 -0.000 0.000) 0.000 5.810 ( 0.000 0.000 -0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 -0.000 0.000) 0.000 7.086 ( 0.000 -0.000 -0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 8.189 ( -0.000 -0.000 -0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 -0.000) 0.000 8.988 ( 0.000 0.000 -0.000) 0.000 9.781 ( 0.000 -0.000 -0.000) 0.000 9.901 ( 0.000 -0.000 0.000) 0.000 9.939 ( -0.000 -0.000 -0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.233 ( 0.000 0.000 -0.000) 0.000 10.461 ( 0.000 -0.000 -0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 -0.000) 0.000 11.594 ( 0.000 0.000 -0.000) 0.000 11.600 ( -0.000 -0.000 0.000) 0.000 11.950 ( -0.000 0.000 -0.000) 0.000 12.207 ( 0.000 -0.000 -0.000) 0.000 12.291 ( 0.000 -0.000 0.000) 0.000 12.308 ( -0.000 0.000 -0.000) 0.000 12.773 ( 0.000 -0.000 -0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.432 ( 0.000 0.000 -0.000) 0.000 14.048 ( 0.000 -0.000 -0.000) 0.000 14.945 ( 0.000 0.000 -0.000) 0.000 15.610 ( 0.000 -0.000 -0.000) 0.000 15.912 ( -0.000 -0.000 0.000) 0.000 16.371 ( 0.000 -0.000 -0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 17.269 ( 0.000 0.000 0.000) 0.000 17.342 ( -0.000 -0.000 -0.000) 0.000 18.205 ( 0.000 0.000 -0.000) 0.000 18.616 ( 0.000 -0.000 -0.000) 0.000 18.740 ( 0.000 0.000 0.000) 0.000 19.212 ( 0.000 -0.000 -0.000) 0.000 20.310 ( 0.000 0.000 0.000) 0.000 20.426 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 0.000 35.622) 35.622 1.495 ( 0.000 0.000 35.622) 35.622 2.695 ( 0.000 0.000 62.138) 62.138 3.539 ( 0.000 -0.000 0.641) 0.641 3.539 ( 0.000 0.000 0.641) 0.641 3.748 ( -0.000 -0.000 -11.327) 11.327 4.091 ( -0.000 0.000 -14.568) 14.568 4.091 ( -0.000 -0.000 -14.568) 14.568 4.258 ( -0.000 -0.000 -15.725) 15.725 4.811 ( 0.000 0.000 -2.591) 2.591 4.811 ( -0.000 0.000 -2.591) 2.591 5.049 ( 0.000 0.000 11.500) 11.500 5.444 ( 0.000 -0.000 -0.125) 0.125 5.444 ( 0.000 0.000 -0.125) 0.125 5.666 ( -0.000 -0.000 -5.157) 5.157 6.215 ( -0.000 -0.000 -2.344) 2.344 6.461 ( 0.000 0.000 0.873) 0.873 6.461 ( 0.000 -0.000 0.873) 0.873 6.966 ( 0.000 -0.000 -1.521) 1.521 6.966 ( -0.000 -0.000 -1.521) 1.521 7.026 ( -0.000 -0.000 -10.766) 10.766 7.960 ( 0.000 0.000 5.958) 5.958 8.106 ( 0.000 0.000 -2.909) 2.909 8.106 ( 0.000 -0.000 -2.909) 2.909 8.618 ( 0.000 0.000 4.597) 4.597 8.618 ( 0.000 0.000 4.597) 4.597 9.217 ( 0.000 0.000 3.900) 3.900 10.075 ( 0.000 0.000 -9.339) 9.339 10.075 ( -0.000 0.000 -9.339) 9.339 10.371 ( -0.000 -0.000 -0.092) 0.092 10.506 ( 0.000 -0.000 -1.223) 1.223 10.506 ( 0.000 0.000 -1.223) 1.223 11.346 ( 0.000 -0.000 -1.617) 1.617 11.346 ( 0.000 0.000 -1.617) 1.617 11.759 ( -0.000 -0.000 -10.454) 10.454 11.774 ( 0.000 0.000 3.804) 3.804 11.774 ( 0.000 0.000 3.804) 3.804 11.972 ( -0.000 -0.000 -9.052) 9.052 12.487 ( 0.000 0.000 1.739) 1.739 12.487 ( 0.000 -0.000 1.739) 1.739 12.952 ( 0.000 0.000 2.039) 2.039 13.142 ( 0.000 0.000 10.285) 10.285 13.142 ( 0.000 0.000 10.285) 10.285 13.618 ( -0.000 -0.000 -3.458) 3.458 14.685 ( -0.000 -0.000 -0.189) 0.189 15.870 ( 0.000 0.000 4.618) 4.618 16.254 ( 0.000 0.000 5.577) 5.577 16.356 ( 0.000 0.000 -9.793) 9.793 16.356 ( -0.000 0.000 -9.793) 9.793 17.586 ( 0.000 0.000 13.028) 13.028 17.586 ( 0.000 0.000 13.028) 13.028 18.076 ( -0.000 0.000 -13.125) 13.125 18.076 ( -0.000 -0.000 -13.125) 13.125 19.404 ( 0.000 -0.000 10.743) 10.743 19.404 ( 0.000 -0.000 10.743) 10.743 19.448 ( -0.000 -0.000 -13.337) 13.337 20.516 ( -0.000 -0.000 -0.113) 0.113 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 8.048 4.141 32.116) 33.367 2.053 ( 7.483 4.115 32.572) 33.673 3.291 ( -7.904 -13.417 1.712) 15.666 3.522 ( -7.616 13.634 0.822) 15.639 3.616 ( 4.463 0.214 28.446) 28.795 3.757 ( -2.423 -7.995 -15.700) 17.784 3.800 ( 5.653 0.548 9.434) 11.012 3.938 ( -2.030 6.953 -10.545) 12.793 4.121 ( 8.469 -0.839 -9.428) 12.701 4.666 ( -10.530 0.287 0.974) 10.579 4.823 ( 3.118 -7.191 0.419) 7.849 5.262 ( -2.466 3.027 6.592) 7.661 5.365 ( 0.083 -3.035 -1.394) 3.341 5.403 ( -3.009 7.873 -4.917) 9.758 5.678 ( 8.047 -2.558 -2.633) 8.844 6.026 ( -6.123 -8.026 -12.399) 15.989 6.437 ( 0.428 0.932 -0.824) 1.316 6.578 ( 6.894 6.861 -1.392) 9.826 6.784 ( -9.035 -6.089 -2.696) 11.223 6.949 ( 0.259 10.006 -6.992) 12.210 6.975 ( 5.707 -5.307 -8.565) 11.580 7.920 ( -8.471 -6.690 2.743) 11.137 8.025 ( -1.944 1.912 -1.282) 3.012 8.216 ( 6.768 5.002 0.579) 8.436 8.622 ( -2.271 -5.655 7.057) 9.324 8.748 ( 0.029 1.775 6.339) 6.583 9.301 ( 2.833 2.376 5.245) 6.417 9.930 ( -3.425 1.553 -6.907) 7.865 10.001 ( 4.204 -0.000 -7.727) 8.797 10.311 ( -5.417 -4.109 1.396) 6.941 10.470 ( 0.387 -1.563 -1.369) 2.113 10.523 ( 1.787 1.465 -2.296) 3.257 11.230 ( -6.505 -9.458 -5.456) 12.710 11.302 ( -3.927 5.062 -0.714) 6.446 11.648 ( 3.172 -0.363 -6.785) 7.498 11.736 ( -4.211 -7.204 1.083) 8.414 11.846 ( -2.523 4.143 2.450) 5.434 11.916 ( 8.349 6.128 -9.438) 14.012 12.393 ( -7.538 -4.351 3.330) 9.319 12.564 ( 2.783 -1.065 1.089) 3.173 13.004 ( -4.539 4.742 3.035) 7.232 13.108 ( -2.927 -6.972 5.527) 9.366 13.427 ( 9.037 2.368 9.587) 13.386 13.587 ( 2.579 1.741 -2.892) 4.248 14.820 ( 12.876 10.473 -4.224) 17.126 15.769 ( -18.832 -5.485 3.458) 19.916 16.089 ( -6.870 -4.984 -3.924) 9.351 16.243 ( 3.443 -13.557 1.460) 14.063 16.585 ( 13.066 19.083 -0.807) 23.141 17.699 ( -3.893 -2.247 5.795) 7.334 17.765 ( -3.167 -4.594 3.303) 6.484 17.864 ( 4.375 4.673 0.535) 6.423 17.997 ( 6.887 1.944 -11.973) 13.948 19.201 ( -9.087 2.145 -9.830) 13.557 19.422 ( -2.029 -9.775 6.651) 11.996 19.725 ( 10.014 8.347 7.135) 14.861 20.508 ( -0.187 -0.064 -0.685) 0.713 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 6.150 9.371 26.920) 29.160 2.621 ( 14.653 1.354 27.924) 31.564 2.973 ( -11.711 -15.065 -9.171) 21.171 3.255 ( -18.645 -10.702 -14.584) 25.979 3.451 ( -10.236 9.618 -4.628) 14.788 3.723 ( 4.492 2.441 -3.455) 6.170 3.906 ( 5.353 -1.441 -3.205) 6.404 4.154 ( 7.327 -2.346 -1.859) 7.915 4.512 ( 8.452 5.533 33.311) 34.809 4.600 ( -2.562 2.388 7.581) 8.351 4.836 ( 2.504 -3.005 3.477) 5.234 5.140 ( -14.968 4.368 -3.849) 16.061 5.209 ( -0.701 -5.099 -8.164) 9.651 5.490 ( -1.547 2.018 -11.097) 11.385 5.678 ( -3.931 0.801 3.355) 5.230 5.786 ( 7.555 -7.642 -4.582) 11.682 6.452 ( 2.590 3.225 -4.390) 6.032 6.611 ( -5.619 -7.929 0.158) 9.719 6.676 ( 3.818 4.879 -2.891) 6.836 6.836 ( 3.430 -5.612 -8.445) 10.704 6.972 ( 3.737 16.583 -10.067) 19.756 7.765 ( -6.580 -12.302 0.192) 13.953 8.049 ( -0.390 8.616 0.347) 8.632 8.326 ( 3.541 2.193 1.464) 4.415 8.656 ( -1.087 -8.465 8.307) 11.910 8.805 ( -4.315 -1.070 6.611) 7.967 9.440 ( 2.480 5.464 3.353) 6.874 9.829 ( -1.810 0.579 -2.597) 3.218 9.986 ( 3.130 2.360 -3.479) 5.241 10.253 ( -1.889 -4.644 2.602) 5.649 10.424 ( -1.528 -2.051 -2.345) 3.470 10.548 ( 6.021 1.462 -2.154) 6.560 10.961 ( -7.127 -6.600 -10.460) 14.275 11.301 ( -0.508 4.842 -1.055) 4.981 11.599 ( -1.918 -4.370 -4.859) 6.811 11.660 ( -0.276 -1.825 2.761) 3.321 11.822 ( -4.097 5.351 -2.339) 7.134 12.003 ( 7.297 4.570 -2.026) 8.845 12.341 ( -2.320 -3.673 2.277) 4.905 12.569 ( 0.785 -3.394 -0.329) 3.499 12.969 ( -12.786 -0.368 6.767) 14.471 13.107 ( 3.655 -2.143 -2.898) 5.133 13.529 ( 4.791 -0.031 -4.387) 6.496 13.772 ( 10.555 5.068 9.006) 14.772 14.949 ( 4.458 11.442 -8.978) 15.211 15.522 ( -15.968 -5.640 4.409) 17.499 15.955 ( -1.886 -7.916 -0.496) 8.152 16.254 ( 1.468 -9.916 8.043) 12.852 16.872 ( 9.246 18.574 0.431) 20.753 17.505 ( -4.783 -1.434 -11.684) 12.706 17.749 ( -0.489 -7.711 -1.517) 7.874 17.983 ( 9.836 -4.465 -1.429) 10.896 18.123 ( 4.281 11.914 10.206) 16.261 18.960 ( -9.308 3.255 -11.257) 14.965 19.388 ( -3.719 -8.298 3.926) 9.905 19.979 ( 6.905 3.851 7.653) 11.003 20.494 ( -0.038 0.111 -1.141) 1.147 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -18.556 -18.465 -11.828) 28.726 2.675 ( -19.440 -14.889 -13.067) 27.755 3.031 ( -5.482 11.649 15.271) 19.974 3.146 ( 11.537 2.764 19.343) 22.692 3.450 ( 4.888 8.583 6.549) 11.851 3.810 ( 5.887 5.686 -0.981) 8.243 3.946 ( 5.262 -4.517 3.041) 7.572 4.207 ( 7.027 -4.398 2.341) 8.614 4.338 ( -16.270 -11.754 -8.190) 21.678 4.809 ( -12.362 -1.637 -6.103) 13.884 5.004 ( 2.025 6.814 8.234) 10.878 5.060 ( 1.798 -5.000 -7.890) 9.512 5.133 ( 3.155 1.684 1.464) 3.864 5.369 ( 0.153 8.465 11.155) 14.004 5.679 ( 5.427 -3.689 -2.438) 7.000 5.833 ( -2.690 6.033 -0.078) 6.606 6.422 ( -3.391 1.754 1.819) 4.229 6.552 ( 3.811 -3.110 -3.930) 6.296 6.597 ( 1.895 -6.707 -5.750) 9.036 6.886 ( 11.336 3.505 -2.886) 12.211 7.021 ( 2.593 19.068 -7.981) 20.833 7.595 ( -3.562 -15.057 -0.292) 15.475 8.128 ( 0.708 9.896 0.159) 9.922 8.374 ( 0.375 -0.604 1.244) 1.432 8.670 ( -1.930 -8.653 5.319) 10.339 8.824 ( -4.151 -4.620 7.846) 10.007 9.461 ( -4.775 5.262 -3.699) 8.010 9.870 ( 3.151 2.343 4.816) 6.213 10.011 ( 1.494 1.785 0.739) 2.442 10.260 ( 2.777 -1.752 -0.193) 3.289 10.366 ( -0.643 -4.770 0.892) 4.895 10.613 ( 1.848 3.697 -3.787) 5.606 10.730 ( 4.025 -1.118 -10.979) 11.747 11.325 ( 1.523 5.070 -1.939) 5.637 11.474 ( -3.749 -5.919 -0.779) 7.050 11.675 ( -6.676 5.801 1.097) 8.912 11.819 ( 3.600 0.225 0.641) 3.663 12.070 ( 1.954 3.312 -1.586) 4.159 12.319 ( 2.761 -6.046 -1.117) 6.740 12.558 ( -0.898 -0.858 1.500) 1.947 12.871 ( -10.770 -4.608 4.334) 12.490 13.072 ( 0.362 0.845 -5.244) 5.324 13.527 ( 4.405 0.709 -4.746) 6.514 14.062 ( 9.377 3.531 8.680) 13.257 14.810 ( -10.122 4.505 -11.001) 15.613 15.458 ( -1.185 -2.283 3.267) 4.158 15.935 ( 1.055 -2.297 5.355) 5.922 16.341 ( 1.517 -8.174 11.681) 14.337 17.092 ( 4.087 16.885 -0.501) 17.380 17.288 ( -1.478 -0.874 -13.504) 13.613 17.623 ( 0.315 -9.195 -6.348) 11.178 18.060 ( 4.245 -5.463 3.733) 7.861 18.419 ( 6.933 10.549 9.813) 15.989 18.715 ( -9.730 4.272 -10.640) 15.037 19.318 ( -3.979 -7.370 1.926) 8.594 20.165 ( 4.643 0.305 6.592) 8.068 20.481 ( 0.215 0.468 -1.119) 1.231 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -24.437 -18.957 -12.484) 33.353 2.116 ( -24.368 -16.110 -10.009) 30.879 3.066 ( -15.291 -0.404 4.452) 15.931 3.503 ( 3.570 5.802 11.710) 13.547 3.673 ( -6.444 -5.962 0.871) 8.822 3.857 ( 0.472 6.253 -0.869) 6.330 3.962 ( 3.898 -2.615 -2.211) 5.188 4.055 ( 2.829 -3.664 6.231) 7.763 4.431 ( 13.769 -4.331 12.827) 19.310 4.605 ( -7.778 -0.945 1.954) 8.075 4.912 ( 0.813 -2.144 -8.068) 8.387 5.059 ( -0.197 6.302 -9.920) 11.755 5.206 ( 4.128 2.597 5.587) 7.416 5.499 ( 2.044 2.420 -4.882) 5.820 5.658 ( -6.427 2.493 -9.765) 11.953 5.986 ( 11.207 8.303 14.730) 20.285 6.412 ( -4.664 -3.262 1.774) 5.962 6.478 ( 0.067 -1.187 -4.319) 4.479 6.642 ( 6.447 1.755 2.407) 7.102 6.995 ( 12.296 9.975 -11.252) 19.424 7.120 ( 4.006 6.487 0.644) 7.651 7.455 ( -2.511 -12.249 1.865) 12.642 8.204 ( 0.525 8.432 -0.655) 8.474 8.368 ( -1.618 -1.886 0.687) 2.578 8.619 ( -2.923 -5.458 0.003) 6.192 8.832 ( -4.348 -8.936 8.103) 12.822 9.346 ( -7.191 1.856 -4.742) 8.811 10.012 ( 4.096 4.458 4.409) 7.490 10.086 ( 3.938 1.741 3.555) 5.584 10.266 ( 4.274 -0.373 -3.646) 5.631 10.328 ( -3.085 -0.424 -2.941) 4.284 10.579 ( 0.653 1.886 2.793) 3.433 10.758 ( 10.961 2.089 -9.079) 14.385 11.340 ( -0.045 2.036 -1.856) 2.755 11.448 ( 1.545 0.803 3.196) 3.639 11.632 ( -5.850 2.949 1.863) 6.812 11.872 ( 0.522 -1.771 0.988) 2.094 12.087 ( 4.670 4.250 -4.498) 7.753 12.289 ( 1.747 -6.742 -0.649) 6.995 12.549 ( -4.387 0.555 1.020) 4.539 12.744 ( -9.377 -3.687 0.389) 10.083 13.014 ( 0.459 -2.711 -1.891) 3.337 13.531 ( 4.086 1.824 -3.702) 5.807 14.173 ( -14.396 -4.524 6.138) 16.291 14.677 ( 11.179 8.293 -7.940) 16.025 15.456 ( -0.970 -2.578 0.871) 2.889 16.105 ( 5.677 4.666 11.187) 13.385 16.471 ( 1.899 -6.099 11.401) 13.069 17.079 ( 0.698 -0.359 -16.449) 16.468 17.204 ( -0.652 13.533 -3.444) 13.979 17.473 ( -1.591 -10.974 -2.833) 11.445 18.100 ( 0.156 -5.962 4.062) 7.216 18.493 ( -6.272 2.760 -10.035) 12.151 18.711 ( 5.228 10.430 9.119) 14.809 19.242 ( -3.303 -6.594 2.066) 7.659 20.277 ( 3.058 -0.991 3.156) 4.505 20.481 ( 0.537 0.762 -0.138) 0.943 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -27.283 -16.780 -5.332) 32.471 1.561 ( -27.217 -19.451 -1.849) 33.504 2.653 ( -42.269 -21.253 6.621) 47.772 3.535 ( -1.963 -1.451 3.626) 4.371 3.604 ( -2.800 -0.735 -0.760) 2.993 3.959 ( 5.970 6.520 0.153) 8.842 4.037 ( 5.404 2.664 -2.853) 6.666 4.202 ( 6.831 0.418 5.294) 8.653 4.599 ( -0.639 -0.250 -4.522) 4.574 4.696 ( 6.579 6.616 8.481) 12.609 4.972 ( 2.483 1.803 -9.527) 10.009 5.020 ( 13.356 0.466 9.464) 16.375 5.254 ( 2.064 4.971 -7.442) 9.184 5.430 ( -3.508 -1.253 -10.447) 11.092 5.502 ( -0.075 -0.691 4.821) 4.871 6.268 ( -4.910 -0.730 -0.895) 5.044 6.444 ( 0.143 -0.550 0.073) 0.573 6.464 ( 16.432 7.304 8.130) 19.735 6.708 ( -2.785 0.019 0.944) 2.941 7.054 ( 2.181 15.918 -9.701) 18.768 7.158 ( 11.154 -12.068 -4.616) 17.069 7.469 ( -0.443 1.341 8.661) 8.776 8.236 ( 1.088 4.673 -4.207) 6.381 8.328 ( -2.689 -2.013 0.375) 3.380 8.536 ( -3.922 0.969 -2.785) 4.907 8.780 ( -5.899 -11.277 5.295) 13.784 9.196 ( -8.741 -2.477 -1.275) 9.175 10.140 ( 5.304 3.803 -2.473) 6.979 10.186 ( 4.801 3.148 -0.320) 5.750 10.258 ( 1.353 2.000 -2.818) 3.711 10.323 ( 5.228 0.925 3.454) 6.333 10.655 ( -1.352 4.709 -1.547) 5.137 10.768 ( 7.687 -2.988 -1.803) 8.442 11.341 ( 1.675 -0.677 0.638) 1.917 11.529 ( -3.864 5.740 4.939) 8.501 11.687 ( 4.701 -3.324 5.122) 7.706 11.839 ( 0.322 4.123 -2.451) 4.808 12.111 ( 6.723 0.548 -8.519) 10.866 12.262 ( -0.675 -4.310 3.212) 5.417 12.474 ( -8.531 0.807 -0.061) 8.569 12.595 ( -8.680 0.923 -2.440) 9.064 13.003 ( 2.819 -9.982 3.783) 11.040 13.568 ( 4.347 2.548 -1.602) 5.287 13.884 ( -24.386 -7.756 0.925) 25.606 14.937 ( 21.467 11.444 -1.198) 24.356 15.440 ( -1.607 -1.049 1.796) 2.629 16.409 ( 8.458 5.566 12.675) 16.223 16.562 ( -0.889 -1.807 2.270) 3.034 16.849 ( 3.202 -1.327 -19.169) 19.480 17.188 ( -3.910 8.991 -6.213) 11.607 17.375 ( -4.432 -10.123 7.308) 13.248 18.081 ( -4.789 -7.685 5.186) 10.435 18.327 ( -1.791 3.226 -9.901) 10.566 18.939 ( 4.987 5.880 4.997) 9.188 19.212 ( -2.926 -4.383 6.445) 8.325 20.315 ( 1.735 0.940 -2.173) 2.935 20.495 ( 0.695 0.446 -0.288) 0.875 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -21.504 -12.985 15.615) 29.579 1.174 ( -24.100 -18.380 18.785) 35.658 2.094 ( -47.224 -25.108 28.875) 60.780 3.469 ( -1.690 1.965 -6.226) 6.743 3.629 ( -0.877 -3.491 5.795) 6.822 4.010 ( -0.822 2.152 -6.750) 7.132 4.112 ( 10.200 5.294 0.026) 11.492 4.356 ( 9.447 0.640 -0.855) 9.507 4.490 ( -2.328 4.082 -9.671) 10.753 4.804 ( 0.896 3.249 -18.287) 18.595 4.923 ( 5.321 6.678 -1.818) 8.730 5.053 ( 1.286 -1.888 -3.337) 4.044 5.302 ( -0.139 6.261 -5.679) 8.454 5.498 ( 12.551 -3.565 5.510) 14.164 5.601 ( 0.813 -1.952 16.015) 16.153 6.122 ( -4.657 -5.432 -4.871) 8.656 6.458 ( 0.446 -1.267 1.870) 2.302 6.623 ( -6.257 -2.746 1.258) 6.948 6.809 ( 10.180 7.550 1.010) 12.714 7.011 ( -6.464 7.337 -2.345) 10.056 7.186 ( 14.585 -4.457 -8.489) 17.455 7.613 ( 2.210 5.609 6.305) 8.724 8.169 ( 0.194 1.242 -8.018) 8.116 8.335 ( 0.338 1.468 2.649) 3.048 8.454 ( -3.744 1.224 -2.379) 4.602 8.687 ( -4.812 -9.111 3.834) 10.994 9.090 ( -8.613 -1.406 6.552) 10.913 10.150 ( 5.374 3.392 -4.774) 7.949 10.218 ( 1.811 1.861 -5.950) 6.492 10.336 ( 7.821 0.885 2.095) 8.145 10.409 ( 3.673 -0.150 -6.424) 7.401 10.640 ( 3.454 -4.812 2.735) 6.524 10.873 ( 1.148 9.818 6.261) 11.701 11.412 ( 7.898 -3.815 3.884) 9.592 11.592 ( -4.364 1.477 0.549) 4.640 11.635 ( -3.959 -1.451 3.680) 5.597 11.984 ( 6.497 0.736 -4.728) 8.069 12.114 ( 7.348 8.886 3.766) 12.130 12.275 ( 2.661 -4.400 -0.091) 5.143 12.348 ( -6.747 -3.533 -0.562) 7.637 12.527 ( -6.643 10.763 2.549) 12.902 13.035 ( 4.587 -15.703 7.959) 18.193 13.503 ( -22.920 -5.648 -0.914) 23.623 13.636 ( 1.771 0.103 0.149) 1.780 15.306 ( 20.618 12.662 1.541) 24.244 15.414 ( -6.399 -1.357 -1.898) 6.811 16.341 ( -6.868 0.049 -21.778) 22.835 16.602 ( 10.887 -12.691 -6.417) 17.910 16.772 ( -5.794 11.950 2.144) 13.452 17.137 ( 0.405 4.695 0.657) 4.758 17.431 ( -4.040 -4.226 15.252) 16.334 18.047 ( -3.693 -7.942 10.704) 13.831 18.227 ( 4.178 1.902 -10.562) 11.517 19.052 ( 3.137 2.384 0.654) 3.994 19.275 ( -2.911 -2.667 10.779) 11.479 20.223 ( -4.498 1.411 -14.890) 15.618 20.494 ( 0.622 0.253 -0.517) 0.847 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -0.034 0.237 30.378) 30.379 2.508 ( -0.375 10.913 29.415) 31.376 3.254 ( -8.118 -14.704 -6.499) 18.010 3.449 ( 11.877 -5.081 -3.881) 13.489 3.573 ( -4.401 -8.944 -11.877) 15.505 3.708 ( 8.838 1.796 -10.517) 13.854 3.853 ( -6.129 9.384 5.580) 12.520 3.980 ( -3.150 9.569 -7.713) 12.688 4.366 ( 0.550 7.447 45.883) 46.487 4.703 ( 5.731 -5.752 3.307) 8.767 4.790 ( -7.566 -1.260 -3.622) 8.482 5.201 ( -0.061 -12.258 -7.971) 14.621 5.373 ( 10.289 -0.180 0.711) 10.316 5.414 ( 0.840 7.926 -0.915) 8.022 5.673 ( -8.574 4.756 2.301) 10.071 5.850 ( -1.736 -6.323 -12.896) 14.467 6.417 ( -4.348 -0.049 -6.420) 7.754 6.497 ( 6.233 3.455 -2.686) 7.616 6.715 ( -2.909 -3.462 -10.331) 11.278 6.776 ( 3.533 -3.828 -5.525) 7.594 6.948 ( -0.018 9.531 -6.611) 11.599 7.896 ( -2.344 -10.801 -0.381) 11.059 8.106 ( 7.792 -0.268 1.878) 8.020 8.168 ( -5.020 7.040 -0.698) 8.675 8.720 ( -1.771 -7.632 9.277) 12.143 8.880 ( -0.043 2.735 8.900) 9.311 9.360 ( 1.448 2.368 5.037) 5.751 9.870 ( 3.358 0.801 -3.324) 4.793 9.894 ( -2.970 2.305 -6.196) 7.247 10.336 ( -0.755 -5.753 1.523) 5.998 10.431 ( -0.934 -1.056 -2.470) 2.844 10.489 ( 0.011 2.192 -4.263) 4.794 11.086 ( -1.528 -16.361 -7.356) 18.003 11.340 ( 3.363 3.654 -2.320) 5.481 11.547 ( -1.055 9.103 -8.581) 12.554 11.727 ( -2.508 6.136 -11.024) 12.864 11.846 ( -2.921 -2.085 5.670) 6.710 11.869 ( 5.991 -0.835 2.800) 6.666 12.459 ( 2.954 -6.999 2.779) 8.089 12.517 ( -4.788 -5.538 0.957) 7.384 13.009 ( 2.662 1.439 -0.868) 3.148 13.213 ( -1.188 -6.344 6.259) 8.991 13.492 ( -2.750 0.901 -5.650) 6.349 13.595 ( 0.966 11.343 8.661) 14.304 14.775 ( 2.331 13.874 -3.833) 14.581 15.788 ( 4.566 -20.202 2.827) 20.904 16.160 ( 6.185 -3.459 3.235) 7.790 16.190 ( -18.893 1.907 -4.627) 19.545 16.612 ( 8.261 11.177 8.777) 16.438 17.575 ( 1.379 -6.033 -15.108) 16.327 17.745 ( -2.991 2.221 -11.440) 12.031 17.905 ( -3.574 -1.920 12.104) 12.765 18.042 ( 3.436 9.244 9.403) 13.626 19.025 ( 2.296 -0.005 -15.907) 16.071 19.538 ( -2.157 -8.853 6.477) 11.180 19.831 ( 0.499 8.818 10.278) 13.551 20.493 ( 0.039 -0.197 -1.378) 1.393 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 3.765 -9.054 17.283) 19.871 2.920 ( -4.086 -1.409 11.634) 12.411 2.958 ( -4.357 -1.505 6.320) 7.823 3.205 ( -10.064 -4.796 -2.898) 11.519 3.578 ( 4.826 -0.656 0.399) 4.886 3.714 ( 6.492 -0.148 -6.184) 8.967 3.763 ( -9.630 7.773 0.876) 12.407 4.097 ( 4.034 5.602 4.096) 8.028 4.599 ( -5.353 -4.828 -3.967) 8.228 4.793 ( 6.997 -2.162 2.145) 7.631 4.974 ( 3.026 7.329 20.085) 21.594 4.994 ( -1.574 -10.077 -8.508) 13.282 5.393 ( -5.415 3.882 -2.443) 7.097 5.421 ( -8.889 9.610 -8.804) 15.776 5.572 ( 4.272 -4.409 1.802) 6.399 5.793 ( 0.742 -4.731 9.371) 10.524 6.263 ( 5.742 -3.392 -11.972) 13.704 6.548 ( -0.242 0.757 -7.242) 7.286 6.605 ( 7.447 1.901 -3.541) 8.462 6.698 ( -0.605 -6.191 -1.877) 6.498 6.952 ( 1.081 18.524 -8.423) 20.378 7.743 ( -5.811 -11.410 -2.079) 12.972 8.136 ( -3.568 6.188 1.069) 7.222 8.248 ( 8.701 -0.253 -0.526) 8.721 8.748 ( -3.026 -10.268 8.620) 13.743 8.949 ( -4.661 -1.758 6.576) 8.249 9.516 ( 2.768 6.779 5.593) 9.215 9.807 ( -0.788 1.606 -3.093) 3.573 9.922 ( 4.599 3.294 -0.558) 5.685 10.265 ( -2.759 -7.366 -0.200) 7.869 10.372 ( 0.331 -3.100 -2.920) 4.272 10.463 ( 3.004 2.644 -3.890) 5.581 10.823 ( -3.670 -10.004 -10.622) 15.046 11.344 ( -2.211 5.738 -2.268) 6.554 11.524 ( 0.206 2.054 -4.326) 4.794 11.637 ( 3.156 6.007 -6.555) 9.434 11.887 ( -3.246 5.160 2.495) 6.586 11.975 ( 5.038 -1.803 4.753) 7.157 12.384 ( -6.980 -7.890 1.099) 10.591 12.504 ( 4.220 -6.856 2.720) 8.497 13.018 ( 2.101 -3.141 -2.784) 4.694 13.176 ( -8.949 -0.757 3.230) 9.544 13.412 ( 2.090 0.903 -5.800) 6.231 13.825 ( 6.459 8.738 6.805) 12.821 14.880 ( 4.802 14.503 -6.918) 16.771 15.677 ( -8.142 -15.979 3.954) 18.364 15.965 ( -8.052 -1.511 0.934) 8.245 16.268 ( 4.012 -5.491 7.798) 10.347 16.925 ( 8.342 13.077 6.472) 16.807 17.335 ( -0.237 -4.455 -14.593) 15.260 17.570 ( 0.036 0.410 -12.851) 12.857 18.018 ( -1.507 -3.818 11.816) 12.509 18.290 ( 3.786 9.327 9.670) 13.958 18.839 ( 0.230 4.511 -16.188) 16.806 19.482 ( -6.715 -11.482 6.007) 14.595 20.042 ( 3.655 5.690 7.438) 10.053 20.473 ( 0.308 0.093 -1.672) 1.702 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -16.690 -22.992 -7.343) 29.345 2.691 ( -19.567 -11.085 -5.903) 23.251 3.269 ( 5.587 3.580 16.037) 17.356 3.438 ( -1.968 10.075 16.810) 19.696 3.579 ( -1.282 9.046 5.207) 10.516 3.733 ( 5.454 -0.677 -1.327) 5.654 3.870 ( 7.044 -3.208 4.959) 9.193 4.174 ( 1.274 -0.397 3.239) 3.504 4.451 ( -12.852 -1.386 0.236) 12.929 4.724 ( 1.829 -10.415 -9.533) 14.237 4.859 ( -0.761 -1.045 -6.825) 6.947 5.081 ( -0.109 9.079 -4.110) 9.966 5.214 ( -7.522 1.008 -6.258) 9.836 5.405 ( 4.007 -0.957 -1.350) 4.335 5.745 ( -0.600 0.451 7.204) 7.243 5.843 ( 1.722 2.021 2.011) 3.331 6.299 ( 16.030 -3.496 0.331) 16.410 6.470 ( -0.698 2.324 -3.520) 4.275 6.586 ( -5.883 -2.276 1.286) 6.437 6.700 ( 9.438 -1.175 -4.572) 10.553 7.029 ( 3.868 20.656 -7.198) 22.214 7.558 ( -5.798 -11.074 -0.044) 12.500 8.177 ( 1.167 7.826 -0.982) 7.973 8.323 ( 4.936 -2.762 0.331) 5.666 8.707 ( -3.579 -9.278 2.763) 10.321 8.953 ( -4.734 -6.089 7.534) 10.782 9.538 ( -7.609 7.920 -4.957) 12.049 9.891 ( 6.257 1.988 5.222) 8.389 9.993 ( 3.706 2.613 -0.315) 4.546 10.186 ( 1.849 -5.958 -1.797) 6.492 10.358 ( 1.326 -4.718 3.717) 6.151 10.490 ( 7.149 4.812 -7.098) 11.164 10.598 ( -2.838 -1.698 -8.166) 8.810 11.330 ( -0.906 5.466 -2.586) 6.114 11.452 ( -2.543 -3.349 -0.331) 4.219 11.710 ( 8.861 6.429 -4.507) 11.839 11.883 ( -8.972 6.840 2.394) 11.533 12.092 ( 2.374 -0.061 4.899) 5.444 12.245 ( -3.319 -10.704 -0.210) 11.208 12.558 ( 2.973 -3.860 3.595) 6.055 12.937 ( -2.057 -9.346 -1.278) 9.655 13.090 ( -8.482 4.422 -1.217) 9.643 13.397 ( 5.057 1.043 -4.933) 7.141 14.076 ( 10.955 7.340 5.427) 14.259 14.829 ( -8.792 6.134 -9.762) 14.499 15.535 ( -6.801 -7.389 4.712) 11.093 15.987 ( 2.688 -0.198 6.922) 7.428 16.388 ( 3.904 -5.529 8.239) 10.662 17.096 ( 0.780 1.148 -11.649) 11.732 17.177 ( 0.840 8.450 -0.006) 8.492 17.424 ( 3.717 -2.753 -9.146) 10.250 18.109 ( -1.698 -3.933 8.611) 9.618 18.503 ( 2.841 3.772 3.773) 6.044 18.698 ( -0.515 9.904 -7.822) 12.631 19.377 ( -6.532 -11.755 4.728) 14.255 20.194 ( 2.830 2.661 4.325) 5.813 20.462 ( 0.873 0.588 -1.339) 1.704 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -22.233 -20.599 -3.055) 30.462 2.265 ( -26.205 -10.434 -0.817) 28.217 3.388 ( -12.071 4.270 9.416) 15.893 3.608 ( 2.381 1.498 2.778) 3.954 3.729 ( -4.181 -7.907 0.072) 8.945 3.827 ( 3.549 -4.529 -1.057) 5.850 3.902 ( 4.889 11.365 5.259) 13.444 4.220 ( -16.615 -4.031 7.288) 18.585 4.404 ( 11.052 2.083 8.159) 13.894 4.686 ( 7.491 -5.005 6.417) 11.061 4.735 ( -2.141 3.570 -8.106) 9.112 4.979 ( -2.952 6.497 -12.992) 14.823 5.149 ( 4.274 2.455 -7.419) 8.907 5.390 ( 5.243 -8.008 -6.703) 11.686 5.639 ( -6.620 3.134 -3.668) 8.191 6.078 ( 9.766 5.954 9.505) 14.872 6.380 ( 4.850 -4.145 -3.912) 7.484 6.483 ( -5.914 -3.371 -0.455) 6.822 6.601 ( 8.892 4.955 4.943) 11.316 6.746 ( 8.935 -0.175 -5.979) 10.753 7.122 ( 2.098 13.360 -5.170) 14.478 7.477 ( -1.552 -5.512 5.364) 7.846 8.227 ( 1.397 7.866 -3.968) 8.920 8.345 ( 1.450 -3.687 0.596) 4.007 8.616 ( -2.955 -4.645 -1.222) 5.639 8.927 ( -5.224 -8.986 5.830) 11.918 9.403 ( -7.508 4.320 -5.283) 10.146 10.013 ( 5.382 1.813 -0.932) 5.756 10.054 ( 4.786 2.436 -1.628) 5.612 10.192 ( 0.960 -1.320 2.934) 3.357 10.365 ( -3.560 1.795 -0.863) 4.080 10.503 ( 9.010 -0.917 -7.332) 11.652 10.586 ( 6.095 2.057 2.307) 6.834 11.331 ( 0.218 3.191 -2.012) 3.779 11.452 ( 2.747 -1.953 4.693) 5.778 11.774 ( 2.776 1.737 -3.499) 4.792 11.845 ( -7.388 4.156 2.471) 8.830 12.075 ( -5.085 -0.461 -1.565) 5.341 12.232 ( 3.995 -4.136 3.160) 6.562 12.597 ( -0.555 -1.083 2.186) 2.502 12.823 ( -4.238 -11.967 2.620) 12.963 12.993 ( -6.572 3.824 -3.015) 8.179 13.422 ( 6.248 1.741 -3.408) 7.327 14.368 ( 12.079 6.197 7.507) 15.514 14.536 ( -14.873 -0.663 -10.110) 17.996 15.499 ( -3.342 -2.170 3.563) 5.345 16.180 ( 8.751 0.850 7.818) 11.765 16.500 ( 4.623 -2.503 5.136) 7.349 16.895 ( -5.254 1.472 -13.332) 14.405 17.183 ( 2.451 1.840 -6.490) 7.178 17.431 ( 1.868 1.634 2.121) 3.265 18.143 ( -2.158 -2.173 3.523) 4.667 18.445 ( -4.986 -0.752 -4.825) 6.979 18.819 ( 4.351 8.124 3.868) 9.995 19.295 ( -3.768 -10.116 6.136) 12.417 20.272 ( 1.437 2.292 0.609) 2.773 20.467 ( 1.428 0.671 -1.114) 1.931 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -24.568 -12.445 7.780) 28.618 1.884 ( -29.068 -8.576 9.708) 31.823 3.229 ( -33.345 -11.334 13.201) 37.611 3.550 ( -2.957 0.831 -7.255) 7.878 3.635 ( -0.600 -2.955 4.671) 5.560 3.872 ( 6.081 -4.966 1.850) 8.067 4.026 ( -1.284 6.435 -2.094) 6.888 4.184 ( 0.183 -0.611 3.185) 3.248 4.557 ( 1.376 3.950 -6.324) 7.582 4.671 ( 5.579 -1.115 -7.498) 9.412 4.840 ( -1.168 10.275 -9.207) 13.845 4.945 ( 9.632 3.013 3.236) 10.598 5.129 ( 9.061 -4.166 -0.400) 9.981 5.307 ( 3.224 0.625 -2.284) 4.000 5.612 ( -1.882 -1.483 5.430) 5.935 6.266 ( -1.728 -2.515 -5.545) 6.329 6.405 ( 4.551 2.899 -0.115) 5.397 6.432 ( 9.415 2.529 1.850) 9.922 6.738 ( 2.115 -1.941 0.304) 2.887 6.803 ( 11.344 -0.164 -1.065) 11.395 7.144 ( -2.129 9.136 -2.525) 9.715 7.545 ( 2.281 -0.222 4.627) 5.164 8.201 ( -1.674 5.535 -6.510) 8.707 8.330 ( 0.294 -4.778 0.617) 4.827 8.554 ( -2.137 3.853 -2.977) 5.317 8.833 ( -6.233 -9.682 1.955) 11.680 9.300 ( -6.781 1.416 0.978) 6.996 10.055 ( 3.702 2.918 -5.040) 6.901 10.090 ( 7.721 0.467 -5.120) 9.276 10.234 ( -1.983 2.954 1.044) 3.707 10.339 ( 0.605 0.913 0.125) 1.102 10.494 ( 6.898 -2.221 -4.978) 8.792 10.772 ( 7.332 2.996 6.605) 10.313 11.326 ( 0.075 -0.101 -0.159) 0.203 11.610 ( 7.081 -1.252 6.698) 9.827 11.742 ( -1.692 -2.712 -0.226) 3.205 11.802 ( -3.764 -0.300 1.832) 4.197 12.021 ( 0.362 6.666 -4.404) 7.998 12.267 ( 0.088 -1.714 0.374) 1.757 12.576 ( -6.198 2.524 -0.968) 6.762 12.743 ( -8.112 -5.669 8.613) 13.120 12.913 ( 0.976 -5.368 -1.483) 5.654 13.492 ( 6.530 2.380 -1.090) 7.035 14.156 ( -23.515 -4.550 -2.798) 24.114 14.733 ( 21.644 7.666 3.416) 23.214 15.505 ( -2.486 -0.422 4.382) 5.056 16.312 ( 10.865 -8.909 -5.159) 14.968 16.566 ( -9.351 0.654 -13.485) 16.423 16.716 ( 6.213 9.706 4.900) 12.523 17.180 ( 0.627 4.247 -1.145) 4.443 17.489 ( -0.827 -1.773 6.314) 6.610 18.121 ( -1.979 0.510 -1.788) 2.715 18.305 ( -8.124 -3.695 -0.423) 8.935 18.946 ( 4.490 1.015 1.869) 4.968 19.310 ( -0.576 -7.307 8.885) 11.518 20.278 ( -0.620 4.067 -4.978) 6.458 20.471 ( 1.283 0.425 -1.359) 1.917 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -20.499 0.736 22.634) 30.546 1.713 ( -24.101 -4.712 23.926) 34.286 2.936 ( -33.240 -14.200 26.991) 45.112 3.418 ( -5.943 1.240 -3.426) 6.971 3.673 ( 0.803 -6.840 3.673) 7.806 3.932 ( 3.878 4.362 -11.062) 12.508 4.007 ( 3.213 -1.060 3.482) 4.855 4.197 ( 5.031 0.903 -8.688) 10.080 4.390 ( -1.186 -1.479 -16.870) 16.977 4.554 ( -0.236 5.449 -7.825) 9.538 4.819 ( 6.497 -4.478 -8.418) 11.538 5.064 ( 2.318 8.954 3.813) 10.004 5.315 ( 5.082 11.728 4.000) 13.393 5.385 ( 4.585 -5.524 1.307) 7.297 5.729 ( 6.026 -4.368 9.645) 12.183 6.076 ( -5.681 -3.585 -8.476) 10.815 6.451 ( 2.484 1.143 0.520) 2.784 6.565 ( 11.018 -3.644 -4.003) 12.276 6.781 ( 0.375 -0.893 0.898) 1.321 6.932 ( 9.648 5.548 -2.158) 11.337 7.152 ( -5.109 6.797 1.941) 8.722 7.636 ( 4.809 -0.169 3.122) 5.736 8.121 ( -3.042 4.393 -5.659) 7.783 8.331 ( 4.003 -4.069 1.787) 5.981 8.489 ( -6.254 5.444 -5.496) 9.947 8.729 ( -3.264 -6.726 3.004) 8.057 9.269 ( -6.503 0.628 5.326) 8.429 10.045 ( 4.779 2.388 -4.649) 7.082 10.127 ( 6.399 0.111 -5.543) 8.466 10.191 ( 0.731 2.879 -6.427) 7.080 10.384 ( -0.107 0.817 3.186) 3.291 10.549 ( 8.354 -3.389 0.008) 9.016 10.953 ( 4.992 6.891 2.522) 8.875 11.356 ( 4.029 -2.894 3.781) 6.237 11.554 ( -4.602 -8.666 -2.752) 10.191 11.807 ( -2.794 4.125 5.870) 7.699 11.844 ( 6.740 -3.553 -1.178) 7.710 12.113 ( 8.914 7.805 1.283) 11.917 12.242 ( -0.434 1.651 -0.096) 1.709 12.434 ( -10.668 -1.304 -3.265) 11.232 12.761 ( -7.172 11.905 4.338) 14.560 12.934 ( 6.589 -16.312 9.084) 19.800 13.574 ( 4.641 2.083 -0.686) 5.133 13.790 ( -23.851 -5.182 -0.601) 24.415 15.129 ( 23.037 6.755 4.170) 24.366 15.506 ( -8.308 -2.539 2.691) 9.094 16.178 ( -8.825 2.511 -18.934) 21.040 16.247 ( 9.931 -11.977 -10.828) 18.956 16.998 ( -2.102 12.095 7.394) 14.331 17.192 ( -0.137 6.497 1.808) 6.745 17.589 ( 3.069 -5.514 9.974) 11.803 18.058 ( -1.885 3.135 -5.690) 6.764 18.194 ( -5.979 -4.159 2.707) 7.770 19.035 ( 5.231 -0.437 2.991) 6.042 19.361 ( -0.082 -10.162 7.465) 12.610 20.139 ( -7.322 4.841 -13.474) 16.081 20.484 ( 1.209 0.754 0.249) 1.446 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -6.477 -2.637 22.967) 24.008 2.938 ( 3.093 -0.316 12.004) 12.401 3.069 ( 0.823 1.637 2.412) 3.029 3.231 ( 15.766 -11.864 -4.805) 20.308 3.344 ( 5.649 -7.225 -1.006) 9.226 3.587 ( -6.343 2.113 -3.440) 7.518 3.984 ( 1.354 11.971 1.374) 12.125 4.131 ( -8.105 6.742 1.891) 10.711 4.602 ( 4.993 -3.143 -2.133) 6.274 4.807 ( -6.343 -3.097 -4.429) 8.333 4.947 ( -1.181 4.243 18.136) 18.663 5.018 ( 0.265 -11.856 0.381) 11.865 5.193 ( 8.143 1.482 -3.538) 9.001 5.406 ( 3.556 4.255 -3.933) 6.798 5.694 ( 1.426 -0.868 -2.028) 2.627 5.821 ( -0.371 -0.949 4.351) 4.469 6.407 ( 2.754 2.442 -1.908) 4.146 6.415 ( -16.036 -6.969 -11.822) 21.106 6.644 ( -6.337 3.284 -7.691) 10.492 6.656 ( 2.379 0.971 -4.179) 4.906 6.894 ( 5.451 7.484 -4.413) 10.257 7.878 ( -5.627 -6.920 0.194) 8.921 7.971 ( 10.819 1.091 -1.006) 10.920 8.306 ( -6.126 3.439 1.123) 7.114 8.772 ( 1.113 -6.992 5.363) 8.882 8.991 ( 3.340 -0.442 9.084) 9.689 9.413 ( 1.076 0.100 2.733) 2.939 9.835 ( 0.834 2.285 0.866) 2.582 9.912 ( -4.647 2.605 -1.255) 5.473 10.301 ( 1.777 -2.625 -0.581) 3.223 10.415 ( -3.488 -0.467 -2.839) 4.521 10.451 ( -2.333 2.002 -5.032) 5.897 10.828 ( 3.421 -11.297 -12.189) 16.968 11.291 ( 3.671 4.771 -1.504) 6.205 11.547 ( -2.396 5.360 -4.496) 7.395 11.672 ( -3.815 2.005 -7.569) 8.710 11.795 ( 8.205 -0.252 2.980) 8.733 11.995 ( -4.820 0.758 6.665) 8.260 12.395 ( 3.359 -6.286 3.045) 7.751 12.547 ( -3.539 -4.387 -0.635) 5.673 12.961 ( 1.079 -5.653 -0.079) 5.756 13.211 ( 6.736 0.964 1.538) 6.976 13.444 ( -2.931 2.304 -6.384) 7.394 13.834 ( -7.410 9.467 6.990) 13.906 14.785 ( 0.172 6.375 -6.287) 8.955 15.621 ( 7.432 -13.297 5.403) 16.163 16.076 ( 6.848 -1.586 1.817) 7.260 16.384 ( -9.842 4.713 0.258) 10.916 16.761 ( -1.254 1.316 11.834) 11.973 17.312 ( 0.768 -4.105 -15.535) 16.086 17.651 ( -3.638 5.385 -12.960) 14.498 18.133 ( -5.897 -2.925 11.790) 13.504 18.185 ( 3.106 9.254 10.043) 14.006 18.777 ( 3.237 -1.290 -14.244) 14.664 19.512 ( 4.950 -8.401 3.844) 10.481 20.056 ( -4.440 7.005 8.015) 11.534 20.470 ( -0.170 -0.149 -1.780) 1.794 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -3.949 -21.356 -6.126) 22.565 3.053 ( -8.293 -1.233 5.397) 9.971 3.181 ( 0.143 -3.644 14.266) 14.724 3.385 ( 5.174 5.538 7.283) 10.511 3.416 ( 12.194 -5.082 6.074) 14.541 3.608 ( 1.733 4.416 4.705) 6.681 4.014 ( -11.163 8.601 3.641) 14.555 4.216 ( 0.505 7.120 6.065) 9.367 4.458 ( -0.453 -11.316 -12.292) 16.714 4.731 ( 0.149 5.311 -1.345) 5.481 4.889 ( 0.227 -8.251 -3.926) 9.140 5.082 ( 0.669 2.622 -0.494) 2.751 5.173 ( 6.092 -0.407 -14.389) 15.631 5.561 ( 1.733 10.444 -0.262) 10.590 5.702 ( -4.743 -5.669 8.753) 11.456 5.866 ( -1.589 -10.121 8.915) 13.581 6.058 ( -1.651 0.649 -9.275) 9.443 6.450 ( 5.179 -1.402 -4.322) 6.889 6.565 ( -5.023 9.059 1.089) 10.416 6.638 ( 2.519 3.211 -3.884) 5.634 6.954 ( 3.216 10.026 -4.484) 11.444 7.711 ( -6.394 -8.887 -2.176) 11.163 8.129 ( 9.781 1.669 0.374) 9.929 8.252 ( -6.712 3.051 0.521) 7.391 8.755 ( -0.077 -10.349 0.645) 10.369 9.041 ( -1.727 -3.128 2.509) 4.366 9.601 ( 6.899 5.443 9.073) 12.630 9.820 ( -4.077 3.667 -2.479) 6.018 9.922 ( 0.381 2.495 2.059) 3.257 10.198 ( -4.139 -6.708 -7.014) 10.551 10.300 ( 1.784 -1.680 -2.870) 3.774 10.435 ( -1.009 1.219 0.122) 1.587 10.630 ( 1.240 -5.888 -10.604) 12.192 11.367 ( 2.243 3.577 0.009) 4.222 11.511 ( -0.396 8.396 -4.389) 9.482 11.571 ( -2.162 4.470 -5.830) 7.658 11.932 ( 7.492 -3.251 4.579) 9.363 12.039 ( -4.779 2.896 6.304) 8.424 12.421 ( -5.005 -8.049 1.343) 9.573 12.450 ( 2.927 -6.949 3.430) 8.284 12.927 ( 1.350 -5.081 -2.386) 5.774 13.260 ( -1.063 -2.445 0.335) 2.687 13.348 ( -1.456 4.102 -5.056) 6.671 13.912 ( -0.595 8.254 2.899) 8.768 14.832 ( 5.869 10.427 -4.989) 12.963 15.667 ( 1.140 -11.637 6.182) 13.226 16.059 ( -6.029 -5.269 -0.536) 8.025 16.326 ( -2.451 0.501 6.190) 6.676 17.004 ( 5.544 5.987 5.535) 9.860 17.106 ( 3.401 -2.548 -9.403) 10.319 17.455 ( -5.493 4.709 -12.886) 14.779 18.191 ( -4.545 -3.936 10.009) 11.676 18.422 ( 3.390 7.688 8.104) 11.673 18.656 ( 3.317 4.081 -10.218) 11.492 19.494 ( -1.082 -13.597 2.837) 13.932 20.165 ( -1.033 6.770 5.055) 8.512 20.445 ( 0.292 0.129 -1.991) 2.016 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -11.689 -18.757 -2.469) 22.238 2.843 ( -18.296 -6.355 0.811) 19.385 3.401 ( 6.384 -1.830 9.218) 11.361 3.536 ( 5.120 -5.899 3.097) 8.402 3.642 ( 8.838 0.889 4.982) 10.184 3.766 ( -0.015 6.929 8.762) 11.170 4.003 ( -10.263 1.834 5.385) 11.734 4.174 ( -0.844 0.171 -1.908) 2.094 4.421 ( 10.478 -2.978 1.232) 10.962 4.730 ( -9.685 4.200 1.871) 10.721 4.808 ( -1.238 2.560 -1.534) 3.232 5.010 ( 6.977 -5.121 -16.785) 18.885 5.099 ( -1.758 7.754 -3.492) 8.683 5.390 ( -11.986 -7.034 -7.836) 15.954 5.690 ( 4.401 6.150 -4.783) 8.948 5.940 ( 1.092 -5.487 6.139) 8.306 6.142 ( 8.549 -2.002 4.615) 9.919 6.436 ( 5.608 -0.625 -3.975) 6.902 6.605 ( -0.776 7.689 0.199) 7.730 6.659 ( -3.593 1.512 2.134) 4.444 7.030 ( 4.266 13.535 -4.106) 14.773 7.559 ( -4.066 -7.149 0.140) 8.226 8.180 ( -0.259 2.513 -2.921) 3.862 8.276 ( 3.924 0.634 2.597) 4.748 8.662 ( 0.138 -7.864 -3.284) 8.523 9.018 ( -1.528 -4.015 1.053) 4.423 9.624 ( -10.059 6.734 -7.558) 14.271 9.868 ( 5.083 -0.874 0.813) 5.221 9.971 ( 2.036 3.406 0.296) 3.979 10.116 ( 5.012 -3.854 3.845) 7.400 10.315 ( 4.386 -2.655 1.108) 5.245 10.439 ( -0.994 2.248 0.678) 2.550 10.497 ( 0.333 -0.046 -7.330) 7.337 11.366 ( -3.326 3.582 -1.275) 5.052 11.502 ( -5.075 -0.418 2.170) 5.536 11.583 ( 8.249 8.502 -5.211) 12.942 12.059 ( -3.122 2.934 3.421) 5.483 12.070 ( 4.755 -1.767 3.542) 6.187 12.274 ( -8.847 -7.509 0.914) 11.640 12.523 ( 5.369 -7.694 5.115) 10.686 12.853 ( -0.282 -5.439 -3.200) 6.317 13.204 ( -4.600 -1.934 1.605) 5.242 13.325 ( -0.488 5.286 -3.271) 6.235 14.027 ( 8.177 6.728 -1.061) 10.643 14.864 ( -3.583 6.519 -4.278) 8.581 15.631 ( -5.909 -7.685 5.114) 10.960 16.008 ( 2.833 -3.835 2.717) 5.488 16.399 ( 2.285 -1.952 3.605) 4.693 16.958 ( 2.085 1.499 -5.655) 6.211 17.212 ( -6.080 2.370 -8.266) 10.531 17.293 ( 7.021 5.864 -0.137) 9.149 18.208 ( -2.498 -2.396 2.768) 4.432 18.534 ( -2.108 2.242 1.866) 3.599 18.711 ( 4.344 6.514 3.796) 8.701 19.391 ( -2.991 -14.045 2.435) 14.565 20.250 ( 0.220 4.698 1.684) 4.996 20.430 ( 1.133 0.525 -1.819) 2.206 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -18.216 -11.308 5.607) 22.162 2.571 ( -23.118 -5.128 5.719) 24.360 3.510 ( 2.212 -5.149 -6.940) 8.921 3.564 ( 3.389 -1.498 2.848) 4.673 3.625 ( 0.967 -15.607 -0.955) 15.666 3.845 ( -0.837 1.623 2.203) 2.862 4.044 ( -0.803 6.580 5.619) 8.690 4.300 ( 7.362 2.761 1.931) 8.096 4.595 ( -19.408 -1.908 4.267) 19.963 4.607 ( 13.550 -1.679 6.004) 14.916 4.808 ( -8.285 10.345 -0.904) 13.284 4.851 ( 3.505 -1.178 -9.827) 10.500 5.033 ( -3.896 5.316 -5.108) 8.338 5.205 ( 2.765 -0.794 -3.078) 4.212 5.682 ( -1.663 1.610 -4.588) 5.139 6.009 ( 9.877 -3.245 -1.198) 10.466 6.260 ( 5.777 -0.991 2.898) 6.539 6.470 ( 3.340 -5.235 -1.228) 6.330 6.609 ( -0.202 3.110 -1.513) 3.465 6.684 ( -0.639 7.189 2.021) 7.495 7.115 ( 3.567 7.081 -2.802) 8.410 7.530 ( -0.735 -0.059 3.207) 3.290 8.169 ( 3.477 1.722 -4.309) 5.798 8.329 ( 0.162 -0.721 0.366) 0.825 8.580 ( 0.253 -1.317 -3.187) 3.458 8.957 ( -2.785 -3.859 -2.413) 5.335 9.455 ( -6.442 2.367 -3.903) 7.895 9.890 ( 5.346 -0.547 -4.023) 6.713 9.994 ( 2.745 2.156 -3.742) 5.118 10.270 ( 1.481 1.722 7.479) 7.816 10.343 ( 2.332 -1.801 -1.435) 3.277 10.403 ( -2.500 3.118 -4.202) 5.799 10.556 ( 7.881 1.828 6.086) 10.124 11.340 ( -1.645 2.171 -0.615) 2.792 11.495 ( -1.243 -2.730 5.544) 6.304 11.676 ( 5.849 3.951 -2.503) 7.489 12.011 ( -8.326 1.731 -0.009) 8.504 12.107 ( -4.984 -5.805 0.251) 7.655 12.202 ( 3.697 1.879 0.727) 4.211 12.606 ( 4.779 -7.935 6.648) 11.402 12.764 ( -1.129 -5.026 -2.757) 5.843 13.148 ( -10.656 0.982 3.710) 11.327 13.340 ( 3.654 4.768 -1.806) 6.272 14.190 ( 15.370 5.789 -5.412) 17.293 14.727 ( -15.128 -0.640 1.647) 15.230 15.587 ( -4.154 -2.275 3.885) 6.126 16.064 ( 8.037 -7.068 -2.990) 11.113 16.496 ( 7.540 2.681 4.602) 9.232 16.867 ( -11.407 2.634 -11.159) 16.173 17.087 ( 5.084 1.371 0.587) 5.298 17.438 ( 4.786 6.655 -0.114) 8.198 18.179 ( -1.744 -0.059 -1.494) 2.297 18.518 ( -7.659 -1.583 4.826) 9.190 18.843 ( 3.391 -0.429 3.242) 4.711 19.323 ( -0.561 -9.581 5.360) 10.993 20.280 ( 0.337 3.652 -2.629) 4.512 20.431 ( 1.525 0.787 -1.293) 2.149 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -20.521 0.080 15.731) 25.857 2.360 ( -24.338 -2.697 13.779) 28.098 3.249 ( -0.938 -9.060 -15.824) 18.258 3.579 ( 3.231 -14.721 1.626) 15.159 3.653 ( 4.261 -2.143 2.814) 5.538 3.854 ( -0.412 -1.480 0.831) 1.747 4.102 ( -2.307 3.999 0.384) 4.633 4.325 ( 0.329 -0.976 -7.481) 7.552 4.346 ( -16.989 -2.630 -1.102) 17.226 4.686 ( 2.392 -4.083 -8.250) 9.511 4.715 ( -8.388 9.746 -3.079) 13.222 4.917 ( 6.065 3.509 8.854) 11.291 5.153 ( 4.466 9.320 9.701) 14.174 5.284 ( 4.184 6.093 1.115) 7.475 5.596 ( 3.065 -5.268 -4.135) 7.365 6.054 ( 9.793 -7.566 -6.322) 13.896 6.345 ( -0.770 3.295 -5.804) 6.718 6.433 ( 2.340 0.720 5.124) 5.679 6.675 ( 6.899 -0.642 0.263) 6.934 6.768 ( 2.263 5.845 2.347) 6.693 7.168 ( 3.280 1.161 0.151) 3.482 7.583 ( 0.042 6.231 1.271) 6.359 8.160 ( 2.257 0.316 -4.406) 4.961 8.286 ( -1.248 -3.689 -1.319) 4.112 8.572 ( -0.255 6.801 -2.572) 7.276 8.825 ( -3.734 -4.815 -4.779) 7.744 9.402 ( -3.702 0.359 3.026) 4.795 9.908 ( 6.780 -0.587 -4.364) 8.084 9.974 ( 2.194 1.782 -5.610) 6.282 10.283 ( -3.958 2.828 -2.488) 5.464 10.361 ( 2.978 -0.602 -2.078) 3.681 10.413 ( -0.378 3.464 5.568) 6.568 10.771 ( 8.306 3.918 5.242) 10.575 11.334 ( -0.639 -0.324 0.837) 1.102 11.589 ( 5.530 -6.931 7.573) 11.660 11.697 ( -0.750 -1.262 -1.440) 2.056 11.914 ( -5.451 -1.253 0.917) 5.668 12.020 ( -1.835 3.516 -3.514) 5.299 12.261 ( 1.082 3.060 0.078) 3.247 12.635 ( -5.118 0.302 -2.995) 5.937 12.743 ( 8.237 -11.566 5.403) 15.192 13.053 ( -13.959 3.189 5.759) 15.434 13.433 ( 5.317 4.699 0.488) 7.112 14.236 ( -1.370 1.088 -9.918) 10.072 14.678 ( 2.322 -0.361 9.692) 9.973 15.597 ( -1.759 -0.871 5.074) 5.440 16.011 ( 7.740 -8.954 -9.365) 15.093 16.502 ( -14.462 0.193 -17.268) 22.525 16.770 ( 12.978 6.707 9.127) 17.225 17.238 ( 2.395 5.849 6.427) 9.014 17.511 ( 2.489 5.196 -2.072) 6.123 18.120 ( -2.451 0.973 -3.644) 4.499 18.444 ( -11.299 -4.726 6.187) 13.721 18.895 ( 4.931 -6.368 2.159) 8.338 19.363 ( 0.151 -6.017 7.179) 9.368 20.229 ( -0.712 3.068 -8.714) 9.266 20.449 ( 1.348 1.352 0.109) 1.913 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -17.558 10.613 23.513) 31.206 2.299 ( -20.453 -0.707 21.827) 29.921 3.009 ( 3.506 -8.063 -11.467) 14.450 3.484 ( 5.507 -13.895 -7.739) 16.831 3.706 ( 4.788 -6.196 -0.236) 7.834 3.823 ( 0.998 -1.999 -5.322) 5.772 4.074 ( -12.549 -0.333 8.733) 15.292 4.153 ( -6.586 6.961 -6.052) 11.334 4.182 ( -5.758 -3.486 -0.450) 6.746 4.610 ( 1.264 -4.406 -0.923) 4.675 4.680 ( -7.663 10.892 1.344) 13.385 5.113 ( 5.495 3.359 4.501) 7.858 5.295 ( 3.252 -2.654 -6.196) 7.484 5.435 ( 6.035 14.722 5.652) 16.885 5.620 ( 9.850 -9.225 -1.067) 13.537 5.967 ( -2.742 -7.426 -4.672) 9.192 6.306 ( 7.613 2.474 -5.028) 9.453 6.538 ( -0.348 3.805 3.162) 4.960 6.743 ( 4.097 -2.142 -0.324) 4.635 6.875 ( 4.388 7.104 -2.449) 8.701 7.236 ( 3.393 1.216 3.093) 4.749 7.641 ( -1.194 2.003 1.860) 2.983 8.112 ( 0.175 0.476 -3.805) 3.838 8.264 ( 3.113 -1.368 0.575) 3.448 8.529 ( -5.661 5.917 -6.523) 10.469 8.734 ( 0.480 -4.459 1.120) 4.622 9.415 ( -4.467 0.553 5.556) 7.151 9.924 ( 5.584 -1.509 -4.651) 7.423 9.976 ( 5.547 1.544 -1.479) 5.945 10.194 ( -5.483 4.723 -5.021) 8.807 10.396 ( 7.348 -1.603 -2.964) 8.084 10.497 ( -3.160 4.557 5.972) 8.149 10.936 ( 5.873 4.385 -0.250) 7.334 11.355 ( 1.766 -2.113 3.380) 4.360 11.541 ( -6.207 -6.104 -1.366) 8.812 11.734 ( 5.221 -6.651 2.422) 8.795 11.894 ( -0.885 -2.977 2.008) 3.698 12.055 ( 6.298 6.847 -0.972) 9.354 12.297 ( -1.223 6.310 1.095) 6.520 12.493 ( -7.618 0.375 -5.107) 9.179 12.787 ( 4.297 -6.383 -0.640) 7.721 13.071 ( -6.182 1.554 12.630) 14.147 13.529 ( 3.751 4.098 -0.375) 5.568 14.002 ( -15.840 -2.070 -3.355) 16.324 14.949 ( 18.793 0.156 6.117) 19.764 15.632 ( -5.493 -5.650 5.647) 9.694 15.916 ( 7.479 -4.784 -10.342) 13.630 16.096 ( -11.195 1.734 -14.089) 18.079 17.126 ( 12.835 6.720 9.947) 17.574 17.318 ( -8.381 9.081 0.662) 12.375 17.551 ( 5.480 -0.831 -1.128) 5.656 18.052 ( -1.213 4.964 -5.248) 7.325 18.339 ( -12.527 -5.968 7.068) 15.572 18.968 ( 8.555 -7.189 3.866) 11.825 19.375 ( -2.608 -6.862 2.604) 7.789 20.088 ( -3.751 3.333 -9.751) 10.966 20.481 ( 1.133 1.189 0.444) 1.701 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 18.378 -16.090 -9.473) 26.198 2.793 ( 24.747 -12.003 -4.039) 27.799 3.144 ( 1.882 -3.223 14.152) 14.636 3.330 ( -3.937 1.521 13.307) 13.960 3.448 ( -12.594 6.622 8.112) 16.379 3.714 ( -7.082 3.881 2.732) 8.525 4.071 ( 4.105 5.986 1.289) 7.372 4.274 ( -3.428 5.283 4.389) 7.677 4.438 ( 8.725 2.552 -4.587) 10.182 4.727 ( 3.089 -9.981 -4.166) 11.248 4.833 ( -4.153 -7.169 -8.709) 12.021 5.033 ( 5.694 4.946 -12.155) 14.305 5.147 ( -4.280 1.187 4.075) 6.028 5.438 ( 1.722 0.683 3.617) 4.064 5.737 ( 3.292 -1.296 0.094) 3.539 5.810 ( -0.381 -2.485 9.698) 10.018 6.370 ( -10.025 -4.778 -7.827) 13.586 6.455 ( -7.126 -1.549 -0.936) 7.352 6.561 ( 0.361 0.530 -5.672) 5.708 6.742 ( -0.370 12.183 -1.956) 12.344 6.887 ( -6.686 4.670 1.147) 8.236 7.814 ( 13.885 4.274 -0.462) 14.535 7.948 ( -10.945 -5.075 -1.314) 12.136 8.388 ( -1.952 1.551 0.418) 2.528 8.731 ( 2.264 -5.745 -0.957) 6.249 9.024 ( 3.771 -3.812 4.549) 7.032 9.411 ( 5.144 0.888 3.614) 6.349 9.892 ( -3.049 0.980 2.414) 4.010 9.991 ( -3.677 2.272 1.360) 4.531 10.251 ( 0.620 -0.185 -2.105) 2.202 10.425 ( -5.058 -2.543 -8.806) 10.468 10.453 ( -1.874 2.681 0.316) 3.286 10.589 ( -1.699 -0.868 -8.226) 8.444 11.276 ( 0.536 3.385 -1.303) 3.667 11.540 ( 2.690 2.979 -1.190) 4.187 11.621 ( -0.281 -8.402 1.198) 8.491 11.810 ( -2.050 9.195 -0.625) 9.441 12.098 ( 2.565 -1.098 4.763) 5.520 12.359 ( 1.122 -2.487 0.960) 2.893 12.546 ( -2.190 -3.927 -0.265) 4.504 12.893 ( 2.121 -8.790 0.792) 9.077 13.127 ( 7.776 2.753 0.185) 8.251 13.431 ( -4.047 2.841 -5.492) 7.390 14.106 ( -11.264 9.265 5.376) 15.544 14.650 ( 6.961 -4.129 -8.004) 11.383 15.558 ( 5.181 -3.789 4.931) 8.094 16.055 ( 1.967 0.084 6.170) 6.476 16.519 ( -3.895 3.666 2.061) 5.732 16.938 ( -4.937 -3.394 8.401) 10.319 17.075 ( -0.099 -1.685 -16.150) 16.238 17.576 ( -1.922 6.161 -9.523) 11.504 18.232 ( 4.155 2.027 5.631) 7.285 18.437 ( -7.314 1.544 10.868) 13.190 18.560 ( 3.334 -0.651 -8.039) 8.727 19.422 ( 5.837 -7.474 2.698) 9.859 20.228 ( -2.866 5.068 3.067) 6.580 20.453 ( -0.940 -0.045 -1.323) 1.624 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 6.393 -18.004 -3.387) 19.403 3.004 ( 20.442 -12.035 3.851) 24.032 3.272 ( -10.649 -1.025 4.651) 11.666 3.374 ( 3.775 -2.016 3.384) 5.456 3.533 ( -1.004 4.220 13.880) 14.542 3.785 ( -1.593 5.202 5.105) 7.460 4.133 ( 6.799 -1.932 -6.682) 9.727 4.299 ( -6.862 -1.361 1.445) 7.143 4.351 ( -8.780 5.328 -1.844) 10.434 4.694 ( 7.090 -5.038 -5.327) 10.199 4.759 ( 5.850 2.449 0.574) 6.368 4.950 ( -1.223 5.203 -7.264) 9.019 5.148 ( -2.859 3.107 1.050) 4.351 5.513 ( 6.296 -1.511 -1.877) 6.742 5.719 ( -2.951 -5.971 -4.370) 7.966 5.903 ( -1.185 0.594 1.170) 1.768 6.070 ( -5.424 -3.542 1.466) 6.642 6.387 ( -2.746 0.489 -2.100) 3.492 6.588 ( 3.394 5.361 -2.485) 6.814 6.818 ( -10.333 11.561 6.586) 16.847 6.896 ( 6.300 4.629 -1.344) 7.932 7.712 ( -8.748 -8.238 -3.698) 12.573 8.033 ( 10.774 5.193 1.059) 12.007 8.350 ( -5.778 0.899 -0.383) 5.860 8.638 ( 0.503 -8.024 -6.293) 10.210 9.007 ( 1.894 -2.969 -3.233) 4.781 9.663 ( 8.779 3.941 9.853) 13.772 9.867 ( -2.570 2.164 -1.464) 3.665 9.970 ( -3.489 2.215 -2.145) 4.656 10.129 ( -8.412 -4.771 -7.912) 12.494 10.247 ( 0.688 -1.003 -0.783) 1.446 10.462 ( 2.673 1.080 -5.453) 6.168 10.512 ( -4.733 0.512 4.230) 6.368 11.337 ( 5.342 5.113 -1.094) 7.475 11.524 ( -3.019 0.630 -2.162) 3.766 11.608 ( -1.758 3.904 1.829) 4.656 11.892 ( 4.442 1.360 2.742) 5.394 12.182 ( -1.695 2.392 4.091) 5.033 12.367 ( 4.586 -8.192 2.271) 9.659 12.457 ( -4.591 -7.128 0.203) 8.481 12.860 ( 0.077 -6.444 0.242) 6.449 13.212 ( 3.215 -1.496 0.143) 3.549 13.358 ( -1.637 5.450 -2.961) 6.415 14.046 ( -9.359 6.163 -1.059) 11.256 14.731 ( 11.731 5.787 -1.818) 13.207 15.648 ( 3.994 -5.870 4.370) 8.338 16.085 ( -5.261 -5.640 2.604) 8.141 16.432 ( -5.440 -1.458 -0.820) 5.691 16.889 ( 2.058 1.961 -9.924) 10.323 17.094 ( 6.060 4.173 6.651) 9.919 17.432 ( -7.976 4.214 -8.299) 12.258 18.250 ( -0.209 -3.148 -2.701) 4.153 18.577 ( 5.324 4.810 6.349) 9.581 18.592 ( -2.511 3.586 7.619) 8.787 19.418 ( 1.099 -12.997 1.682) 13.152 20.254 ( -0.434 4.755 -1.190) 4.921 20.426 ( -0.942 0.487 -0.936) 1.414 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -3.242 -11.098 4.270) 12.326 3.060 ( -14.779 -4.127 4.220) 15.914 3.272 ( 15.011 -7.116 3.326) 16.942 3.467 ( 3.981 -7.899 3.460) 9.498 3.621 ( -0.918 -9.086 -7.487) 11.809 3.805 ( 2.128 3.253 1.022) 4.019 4.109 ( -3.754 5.744 3.368) 7.644 4.229 ( 6.598 -6.620 -4.185) 10.241 4.350 ( 0.433 2.552 2.805) 3.817 4.683 ( 2.389 -1.346 -5.349) 6.011 4.838 ( 0.476 2.226 5.232) 5.705 4.998 ( -4.173 15.428 5.353) 16.855 5.146 ( -2.283 6.706 -1.915) 7.338 5.344 ( -7.973 -9.192 -9.482) 15.426 5.630 ( 1.106 4.724 -4.434) 6.572 5.923 ( 1.017 -1.883 0.332) 2.165 6.106 ( 4.673 -4.822 3.763) 7.698 6.349 ( -0.088 1.192 -1.138) 1.650 6.642 ( 1.803 6.499 -0.680) 6.778 6.792 ( -5.487 3.493 -1.369) 6.647 7.041 ( 1.096 7.120 3.279) 7.915 7.547 ( -1.666 -4.552 -0.972) 4.943 8.156 ( 0.539 0.830 -3.084) 3.238 8.276 ( 0.291 0.299 0.646) 0.769 8.533 ( 2.974 -2.390 -5.620) 6.793 8.969 ( 1.762 -0.661 -4.699) 5.062 9.670 ( -8.897 2.506 -9.597) 13.324 9.825 ( -0.974 1.430 -1.729) 2.446 9.957 ( -0.069 2.090 -4.446) 4.914 10.095 ( 8.802 -2.678 9.516) 13.237 10.281 ( 3.932 -2.078 3.064) 5.401 10.437 ( -1.243 2.205 -1.828) 3.122 10.523 ( -4.033 2.094 4.025) 6.070 11.414 ( -0.183 1.963 0.094) 1.974 11.492 ( 3.301 5.535 -2.646) 6.966 11.631 ( -5.579 3.432 3.681) 7.514 11.997 ( 6.431 -2.448 2.898) 7.466 12.186 ( -5.117 2.802 1.082) 5.934 12.322 ( -6.336 -8.903 -0.491) 10.938 12.427 ( 7.953 -8.836 2.601) 12.170 12.813 ( -1.769 -4.330 0.666) 4.725 13.228 ( 0.646 -0.918 2.257) 2.521 13.377 ( -1.309 6.103 0.454) 6.258 13.974 ( -0.730 4.908 -5.381) 7.320 14.892 ( 3.666 7.522 0.674) 8.394 15.676 ( 0.119 -6.962 2.592) 7.430 15.973 ( -3.808 -7.101 -0.022) 8.058 16.359 ( 2.430 -2.333 -3.997) 5.227 16.926 ( 4.840 6.091 2.967) 8.327 17.196 ( -10.555 3.995 -10.512) 15.423 17.283 ( 5.341 4.684 1.909) 7.357 18.191 ( 0.624 -2.055 -2.844) 3.564 18.681 ( -4.580 1.241 9.015) 10.188 18.757 ( 3.427 1.800 5.863) 7.026 19.338 ( -0.541 -12.627 2.435) 12.871 20.254 ( 1.746 2.929 -4.665) 5.779 20.415 ( -0.527 1.359 -0.255) 1.480 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -10.258 -1.626 11.428) 15.442 2.892 ( -16.948 -1.959 5.977) 18.078 3.270 ( -1.381 -11.824 -17.015) 20.766 3.424 ( 9.690 -8.753 1.094) 13.104 3.523 ( 4.591 -11.690 0.702) 12.579 3.832 ( 1.050 -4.109 -0.392) 4.259 4.130 ( -3.408 3.973 -0.028) 5.235 4.246 ( 8.705 -1.636 -4.507) 9.938 4.469 ( 0.128 3.345 1.116) 3.528 4.601 ( 6.451 -2.974 -4.926) 8.645 4.943 ( -8.721 2.719 8.342) 12.371 5.060 ( -8.095 10.299 5.008) 14.024 5.172 ( 0.900 3.249 -1.420) 3.659 5.203 ( -4.809 11.985 5.086) 13.879 5.544 ( 1.407 -4.344 -11.659) 12.521 5.899 ( -0.043 -2.972 0.137) 2.975 6.217 ( 8.400 -0.412 2.687) 8.829 6.373 ( 3.624 -0.185 0.081) 3.629 6.650 ( -4.721 -0.054 -0.201) 4.726 6.775 ( 0.094 8.347 -0.751) 8.381 7.080 ( 0.099 -0.840 0.997) 1.307 7.574 ( 1.896 4.046 1.528) 4.722 8.067 ( 1.389 -1.389 -5.648) 5.980 8.321 ( 0.643 0.139 -0.527) 0.843 8.529 ( 3.300 2.926 -1.375) 4.620 8.893 ( -1.131 1.052 -7.969) 8.117 9.495 ( -4.703 -0.041 -2.314) 5.242 9.807 ( 0.823 0.982 -2.310) 2.642 9.913 ( 2.087 1.808 -4.795) 5.533 10.290 ( 6.146 -1.575 2.675) 6.885 10.358 ( 0.145 0.595 3.922) 3.970 10.406 ( -1.714 2.873 -1.220) 3.561 10.602 ( 2.807 3.703 7.380) 8.721 11.386 ( -3.546 1.661 -0.225) 3.922 11.569 ( -0.339 0.740 2.420) 2.553 11.640 ( 0.824 1.649 2.745) 3.306 12.042 ( -0.806 -0.927 -3.717) 3.915 12.155 ( -6.375 -6.045 1.716) 8.951 12.184 ( 0.781 0.174 0.021) 0.800 12.512 ( 9.196 -8.157 3.481) 12.776 12.755 ( -4.140 -2.376 -0.998) 4.876 13.297 ( 1.157 0.626 5.651) 5.802 13.399 ( -6.362 6.258 3.267) 9.504 13.967 ( 9.404 3.977 -8.737) 13.438 14.915 ( -8.488 2.221 2.710) 9.183 15.643 ( -1.259 -4.595 1.813) 5.098 15.880 ( 1.200 -6.685 -5.080) 8.482 16.428 ( 12.363 1.545 1.782) 12.587 16.883 ( -14.579 -0.546 -11.808) 18.769 17.126 ( 4.524 6.526 8.611) 11.713 17.408 ( 5.668 9.573 -2.840) 11.482 18.153 ( 0.235 -2.626 -1.844) 3.217 18.716 ( -9.056 0.423 7.633) 11.852 18.806 ( 1.906 -9.124 1.212) 9.399 19.346 ( 1.242 -5.166 7.911) 9.529 20.207 ( 2.036 1.044 -8.383) 8.689 20.426 ( 0.235 1.999 0.242) 2.028 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -11.072 5.152 11.628) 16.863 2.762 ( -13.099 -2.700 5.685) 14.532 2.985 ( -3.463 -7.198 -7.253) 10.789 3.351 ( 5.011 -10.854 -13.528) 18.054 3.530 ( 5.890 -14.681 4.687) 16.498 3.822 ( -0.572 -2.816 2.015) 3.510 4.088 ( 0.371 -2.684 -3.062) 4.089 4.247 ( -4.205 9.338 -10.001) 14.314 4.353 ( 2.474 -3.185 -4.797) 6.267 4.713 ( 5.391 2.248 0.849) 5.903 4.926 ( -14.156 2.186 11.470) 18.350 5.116 ( 0.940 -2.352 -6.079) 6.586 5.183 ( -3.691 -1.994 4.645) 6.259 5.284 ( 4.595 13.638 -3.971) 14.929 5.474 ( 1.462 -0.906 6.474) 6.699 5.909 ( 1.659 0.384 1.969) 2.603 6.305 ( 0.461 2.878 -4.510) 5.370 6.452 ( 6.147 -0.621 5.157) 8.048 6.621 ( 0.663 1.982 0.428) 2.133 6.829 ( -0.264 7.178 -0.426) 7.195 7.110 ( 3.841 -4.604 2.595) 6.533 7.659 ( 1.524 11.051 0.582) 11.171 8.023 ( 4.452 -5.549 -4.612) 8.478 8.281 ( -2.368 0.791 -2.311) 3.402 8.596 ( 1.633 4.608 0.860) 4.964 8.749 ( -2.975 0.153 -8.898) 9.384 9.477 ( -0.659 -1.108 3.821) 4.033 9.797 ( 2.555 -0.537 -2.345) 3.510 9.917 ( 1.723 3.115 -1.182) 3.751 10.274 ( 0.537 -1.002 -4.894) 5.024 10.334 ( -4.236 2.513 -1.454) 5.136 10.536 ( 3.220 6.113 7.002) 9.837 10.776 ( 4.897 3.756 4.296) 7.519 11.358 ( -2.020 1.208 0.030) 2.354 11.581 ( 0.731 -8.644 6.127) 10.620 11.712 ( -0.825 1.192 1.649) 2.196 11.916 ( -2.872 -2.893 -5.298) 6.685 12.043 ( -4.081 -0.017 -0.651) 4.132 12.281 ( 4.215 3.768 2.842) 6.328 12.603 ( 3.367 -7.689 0.149) 8.395 12.650 ( -0.546 -0.236 -3.145) 3.201 13.338 ( -10.940 -2.427 9.785) 14.877 13.450 ( 1.025 8.607 1.715) 8.836 14.020 ( 13.085 1.983 -9.586) 16.341 14.837 ( -9.122 -1.477 4.849) 10.436 15.646 ( 1.060 -7.595 4.701) 8.995 15.779 ( 2.553 0.026 -7.918) 8.320 16.504 ( -17.189 -0.749 -11.888) 20.913 16.714 ( 17.410 2.742 6.948) 18.945 17.331 ( 4.539 4.937 5.165) 8.464 17.499 ( 1.799 12.728 -2.898) 13.177 18.089 ( -1.407 -3.755 -3.211) 5.137 18.664 ( -11.595 -3.231 7.336) 14.096 18.779 ( 5.259 -10.449 0.248) 11.701 19.441 ( -1.971 -3.066 8.506) 9.253 20.100 ( 1.845 0.329 -10.934) 11.094 20.454 ( 0.861 1.971 0.394) 2.186 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.376 1.083 -8.118) 9.286 2.718 ( -8.869 1.492 11.545) 14.635 2.891 ( -8.640 -2.701 7.082) 11.494 3.123 ( 0.024 -12.099 -8.459) 14.762 3.559 ( 4.794 -13.002 3.370) 14.261 3.798 ( -4.448 4.235 -0.874) 6.204 4.024 ( 0.357 -3.330 -4.847) 5.891 4.104 ( -1.317 6.886 -7.647) 10.374 4.362 ( 4.702 -1.174 -3.436) 5.940 4.795 ( 4.173 -1.419 1.611) 4.693 4.850 ( -2.237 -8.059 0.436) 8.375 5.028 ( -2.495 2.999 1.146) 4.066 5.186 ( -6.112 -2.362 4.607) 8.010 5.448 ( 2.742 8.961 2.241) 9.636 5.550 ( 1.307 -1.511 3.430) 3.969 6.004 ( -1.512 1.650 6.779) 7.139 6.218 ( -0.825 3.508 -5.289) 6.400 6.585 ( 2.373 4.814 0.673) 5.409 6.669 ( 4.143 -0.030 -1.428) 4.382 6.862 ( 0.004 7.562 -2.295) 7.902 7.188 ( 7.509 -2.406 3.051) 8.454 7.737 ( -7.408 1.746 0.407) 7.621 7.996 ( 9.874 -0.894 -1.940) 10.102 8.258 ( 0.585 1.991 0.138) 2.079 8.555 ( -6.690 4.129 -6.690) 10.323 8.693 ( 3.716 -2.356 1.305) 4.589 9.529 ( -0.460 -1.221 5.288) 5.446 9.811 ( 3.201 -1.084 -0.316) 3.395 9.960 ( 0.517 2.446 1.993) 3.197 10.202 ( -0.415 2.950 -5.887) 6.598 10.305 ( -0.011 2.367 -1.300) 2.700 10.669 ( -3.770 5.852 5.314) 8.758 10.877 ( 4.302 3.307 -2.455) 5.956 11.357 ( 0.402 0.384 0.670) 0.870 11.564 ( -5.467 -8.327 0.339) 9.967 11.688 ( 2.440 -3.630 3.193) 5.416 11.857 ( 0.270 -5.377 -0.310) 5.393 12.053 ( 2.246 5.942 0.400) 6.365 12.377 ( -2.497 6.369 -0.175) 6.844 12.495 ( -0.897 0.823 -3.713) 3.907 12.662 ( 4.830 -5.627 -1.731) 7.614 13.298 ( -8.760 -3.912 6.701) 11.702 13.538 ( 0.957 6.939 -0.052) 7.005 14.036 ( 2.487 -0.639 -3.719) 4.520 14.847 ( 4.442 -1.706 3.035) 5.644 15.603 ( 1.372 -11.156 -3.035) 11.642 15.822 ( 3.190 6.342 4.266) 8.282 16.133 ( -16.748 -0.907 -7.181) 18.245 17.074 ( 18.206 3.822 7.438) 20.035 17.426 ( 5.048 3.705 -4.411) 7.659 17.528 ( -8.643 8.952 -1.343) 12.515 18.012 ( 0.676 -0.594 -3.043) 3.174 18.583 ( -13.548 -2.383 7.396) 15.618 18.814 ( 10.515 -11.207 1.996) 15.497 19.409 ( -7.490 -3.344 -1.739) 8.385 20.021 ( 2.354 1.317 -3.745) 4.615 20.482 ( 0.861 1.283 0.100) 1.548 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 26.356 -17.262 -4.324) 31.801 2.342 ( 29.127 -9.903 1.188) 30.788 3.233 ( 5.310 -0.375 11.449) 12.626 3.578 ( -0.980 -1.066 7.500) 7.639 3.684 ( -13.655 -2.323 1.813) 13.970 3.797 ( 5.243 -1.549 1.196) 5.596 3.977 ( 4.925 5.486 -6.789) 10.022 4.192 ( 8.267 -1.774 3.278) 9.069 4.534 ( -3.898 -2.875 -3.325) 5.875 4.601 ( -1.474 3.758 -6.680) 7.805 4.788 ( -8.046 -0.837 -2.035) 8.341 4.923 ( 0.524 7.543 2.473) 7.956 5.206 ( -0.513 0.100 -3.314) 3.355 5.462 ( -2.137 -2.999 5.049) 6.249 5.578 ( 7.415 0.935 -5.623) 9.353 6.052 ( -9.223 3.452 9.591) 13.747 6.344 ( -8.529 -6.575 -7.415) 13.075 6.491 ( 3.950 2.452 -0.708) 4.703 6.556 ( -10.554 -1.569 -1.751) 10.813 6.785 ( -0.907 6.587 -1.043) 6.730 7.096 ( -8.743 7.587 2.321) 11.806 7.668 ( 12.756 2.531 1.647) 13.109 8.026 ( -10.387 -2.233 -4.323) 11.470 8.397 ( 1.412 0.550 -0.520) 1.602 8.613 ( 2.893 -4.512 -5.207) 7.473 8.963 ( 2.030 -6.647 -1.689) 7.153 9.405 ( 10.080 3.531 6.817) 12.670 9.971 ( -6.015 0.967 -1.062) 6.184 10.058 ( -4.263 1.842 -1.081) 4.768 10.237 ( -0.703 1.410 -3.582) 3.913 10.295 ( 1.119 -3.112 -1.163) 3.506 10.514 ( -7.944 3.178 -4.917) 9.868 10.655 ( -6.025 2.886 2.630) 7.180 11.295 ( -2.550 2.859 -0.979) 3.955 11.511 ( 2.895 -4.216 4.477) 6.797 11.633 ( -1.414 -0.120 3.651) 3.917 11.904 ( -2.489 8.975 -2.191) 9.568 12.038 ( 6.504 -4.172 0.446) 7.740 12.359 ( 0.837 0.985 0.959) 1.609 12.502 ( 0.520 -6.461 -2.724) 7.031 12.783 ( 6.757 -8.570 0.568) 10.928 13.121 ( 2.672 4.862 5.308) 7.678 13.444 ( -4.581 2.337 -3.188) 6.051 14.349 ( 16.714 -5.757 0.585) 17.687 14.420 ( -18.132 7.046 -3.713) 19.804 15.523 ( 4.655 -1.631 2.030) 5.334 16.209 ( -5.793 1.114 11.260) 12.711 16.574 ( -2.658 -1.085 -3.574) 4.584 16.857 ( 0.750 3.248 -15.140) 15.503 17.043 ( -3.061 -3.499 2.919) 5.490 17.546 ( 0.784 4.508 -1.726) 4.891 18.225 ( 1.465 1.697 -3.432) 4.099 18.390 ( 7.689 -4.014 2.126) 8.930 18.737 ( -7.516 4.278 9.691) 12.989 19.342 ( 4.425 -7.073 3.904) 9.212 20.275 ( -1.261 2.399 -3.721) 4.603 20.464 ( -1.588 0.592 -0.281) 1.718 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 18.303 -14.574 4.334) 23.795 2.695 ( 25.692 -8.909 7.756) 28.277 3.413 ( -0.822 1.710 8.982) 9.181 3.481 ( -13.573 -2.348 -0.463) 13.782 3.644 ( -0.414 -3.642 -4.891) 6.112 3.774 ( 0.565 -1.299 -3.089) 3.399 4.038 ( 4.054 3.382 3.129) 6.137 4.190 ( 3.125 -10.749 -11.519) 16.062 4.386 ( -6.589 1.121 -4.418) 8.012 4.576 ( 16.799 -0.007 1.427) 16.859 4.799 ( -4.287 5.957 3.325) 8.057 5.022 ( 1.621 9.584 -0.255) 9.724 5.207 ( -3.159 3.314 5.862) 7.438 5.454 ( -4.435 -6.021 1.505) 7.628 5.643 ( 3.817 5.058 -3.017) 7.019 5.959 ( -9.954 1.166 -6.157) 11.762 6.125 ( -4.447 -5.751 2.604) 7.722 6.463 ( -7.437 4.394 1.177) 8.718 6.560 ( 3.822 4.440 -0.352) 5.869 6.826 ( 2.182 -2.325 -1.594) 3.565 7.096 ( -5.136 9.694 3.984) 11.671 7.715 ( -8.724 -7.608 -2.090) 11.763 7.945 ( 9.410 7.387 -2.017) 12.132 8.401 ( -0.808 1.131 -0.510) 1.481 8.483 ( -1.937 -5.663 -8.452) 10.357 8.892 ( 3.081 -2.442 -5.163) 6.489 9.683 ( 9.468 3.200 5.587) 11.450 9.876 ( -3.125 1.226 -3.776) 5.053 9.988 ( -4.020 2.746 -2.975) 5.705 10.111 ( -6.629 -3.980 -5.951) 9.757 10.235 ( -1.556 -0.956 -0.651) 1.939 10.477 ( -3.001 6.130 2.895) 7.414 10.655 ( -5.387 -0.102 5.506) 7.704 11.305 ( 2.193 3.743 -0.632) 4.384 11.540 ( -1.149 -5.567 3.703) 6.784 11.700 ( -0.072 6.264 3.779) 7.315 11.911 ( -0.564 5.351 -0.784) 5.438 12.148 ( 10.466 -4.612 1.223) 11.502 12.342 ( -3.783 0.265 -0.426) 3.816 12.424 ( -0.556 -10.110 -0.166) 10.127 12.797 ( 4.196 -5.836 -0.452) 7.202 13.238 ( -1.678 1.156 6.492) 6.804 13.391 ( -2.099 3.561 -0.413) 4.154 14.158 ( -9.414 3.120 -9.476) 13.717 14.623 ( 12.639 6.253 6.635) 15.584 15.589 ( 4.645 -4.251 1.689) 6.519 16.192 ( -10.074 -6.919 3.631) 12.749 16.369 ( -2.504 -5.494 -11.994) 13.428 16.825 ( 2.918 9.503 -0.413) 9.949 17.114 ( 4.783 5.409 1.342) 7.344 17.490 ( -8.682 1.613 -2.823) 9.270 18.154 ( 1.930 -2.601 -4.753) 5.752 18.591 ( 8.018 0.404 8.429) 11.641 18.817 ( -4.631 5.304 7.810) 10.515 19.346 ( 0.041 -13.206 4.229) 13.867 20.211 ( 1.085 2.209 -7.309) 7.713 20.446 ( -1.461 1.300 -0.401) 1.997 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 8.646 -6.748 10.130) 14.930 3.032 ( 18.279 -8.992 7.104) 21.574 3.272 ( -11.312 -4.827 -4.374) 13.053 3.341 ( -3.710 -7.818 -15.696) 17.923 3.496 ( -3.574 -1.808 5.381) 6.708 3.779 ( 1.954 -4.945 -4.182) 6.765 4.008 ( 6.715 -6.069 -2.227) 9.321 4.236 ( 10.994 2.124 3.595) 11.760 4.306 ( -6.817 3.613 0.782) 7.755 4.769 ( -9.586 3.470 -2.002) 10.390 4.854 ( 12.507 -0.437 6.021) 13.887 5.114 ( 4.532 11.176 -3.060) 12.442 5.268 ( -9.281 4.137 0.301) 10.166 5.311 ( -3.276 0.914 2.402) 4.164 5.590 ( -3.125 -0.034 -6.065) 6.823 5.929 ( 1.871 6.591 0.855) 6.905 6.061 ( -1.575 -8.691 1.588) 8.975 6.426 ( -7.013 4.932 1.466) 8.698 6.651 ( 3.923 5.890 0.631) 7.105 6.754 ( 0.637 -7.639 -2.689) 8.123 7.193 ( -2.987 8.885 2.975) 9.834 7.537 ( -4.605 -0.845 -1.244) 4.845 8.086 ( 4.589 1.383 -2.560) 5.434 8.293 ( -3.835 -2.243 -0.963) 4.546 8.424 ( 3.917 2.496 -3.575) 5.861 8.865 ( 3.264 1.646 -5.607) 6.693 9.655 ( -6.126 0.897 -8.109) 10.202 9.840 ( -0.993 3.020 -2.291) 3.919 9.922 ( -4.273 1.303 -5.117) 6.792 10.090 ( 6.922 -2.838 7.868) 10.857 10.257 ( 3.669 -0.559 2.653) 4.562 10.504 ( -4.749 3.836 1.272) 6.236 10.658 ( -4.562 1.259 4.881) 6.799 11.386 ( 5.360 4.355 0.001) 6.906 11.520 ( -2.830 -2.022 2.592) 4.338 11.783 ( -4.393 7.281 2.765) 8.942 11.944 ( 3.624 -1.405 0.246) 3.895 12.218 ( 6.594 -5.718 -3.077) 9.255 12.284 ( -3.872 0.506 -0.632) 3.955 12.337 ( -1.424 -11.446 3.601) 12.083 12.811 ( 1.619 -2.879 1.118) 3.487 13.271 ( -2.072 1.248 3.201) 4.012 13.440 ( 1.215 2.819 3.498) 4.654 13.968 ( -6.362 3.902 -7.798) 10.794 14.907 ( 8.622 9.252 4.230) 13.336 15.617 ( 2.686 -5.794 1.245) 6.507 16.007 ( -9.699 -9.886 -0.515) 13.859 16.199 ( 4.938 -3.183 -8.608) 10.422 16.993 ( 3.110 11.024 4.981) 12.491 17.237 ( 4.298 9.616 -1.596) 10.653 17.292 ( -11.621 -1.262 -4.183) 12.416 18.119 ( 2.176 -4.187 -1.435) 4.932 18.742 ( 2.951 -6.065 3.896) 7.789 18.898 ( -3.495 6.004 5.205) 8.681 19.316 ( 0.113 -11.571 8.132) 14.143 20.143 ( 2.529 1.258 -8.566) 9.020 20.438 ( -0.954 1.912 -0.196) 2.145 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 0.828 -6.250 0.789) 6.354 2.965 ( -3.465 -8.011 -7.622) 11.588 3.022 ( 3.275 -9.119 -12.910) 16.142 3.308 ( -0.937 0.893 4.285) 4.476 3.477 ( -3.138 -7.800 9.686) 12.826 3.749 ( 4.483 -7.483 3.010) 9.228 4.123 ( 8.262 -0.332 3.366) 8.928 4.229 ( -7.602 0.942 -0.415) 7.671 4.435 ( 6.268 1.583 -4.702) 7.994 4.567 ( -7.449 4.460 -2.365) 8.999 4.961 ( 6.296 -5.280 -9.667) 12.688 5.152 ( -3.467 -5.911 -8.165) 10.660 5.245 ( -1.619 5.022 3.712) 6.452 5.255 ( 0.147 9.577 -3.338) 10.144 5.573 ( -4.371 7.066 9.746) 12.807 5.969 ( -4.033 -0.495 6.024) 7.267 6.113 ( 9.702 2.937 -0.184) 10.138 6.394 ( -3.560 2.721 0.639) 4.526 6.694 ( -1.428 -2.642 1.950) 3.581 6.771 ( 4.487 2.946 1.326) 5.529 7.169 ( -7.852 5.217 -0.593) 9.446 7.576 ( 4.287 3.674 1.265) 5.786 7.994 ( -3.532 -0.131 -5.107) 6.210 8.316 ( 0.092 0.332 1.082) 1.136 8.480 ( 6.673 1.948 -0.376) 6.961 8.824 ( -1.050 4.095 -6.411) 7.680 9.507 ( -3.054 -1.985 -2.451) 4.390 9.812 ( -3.548 1.774 -1.872) 4.386 9.868 ( 1.422 3.805 -0.674) 4.118 10.219 ( 5.498 -2.983 1.057) 6.344 10.384 ( 5.682 2.827 3.919) 7.459 10.452 ( -4.211 1.605 -1.120) 4.644 10.715 ( -1.083 4.024 6.087) 7.377 11.427 ( -1.602 1.952 -1.284) 2.833 11.587 ( 4.998 3.231 4.501) 7.462 11.739 ( -8.731 -0.799 1.257) 8.857 11.958 ( 2.756 -3.224 -3.824) 5.711 12.145 ( -2.193 -1.722 -4.161) 5.009 12.243 ( -3.600 -2.185 3.298) 5.349 12.385 ( 8.718 -6.925 4.313) 11.940 12.781 ( -4.571 -2.073 -1.166) 5.153 13.342 ( 3.501 3.456 3.360) 5.957 13.531 ( 3.573 0.491 3.675) 5.149 13.829 ( -4.904 2.562 -6.280) 8.370 15.033 ( -1.905 7.253 -1.528) 7.653 15.630 ( 0.134 -6.132 5.408) 8.178 15.812 ( -5.448 -6.294 -4.320) 9.379 16.262 ( 15.553 -0.508 0.403) 15.566 16.949 ( -15.931 -0.221 -6.566) 17.232 17.230 ( 2.416 9.170 1.656) 9.627 17.387 ( 5.822 10.273 2.128) 11.999 18.092 ( 1.213 -5.799 -1.038) 6.014 18.690 ( 1.350 -12.955 -2.499) 13.262 18.925 ( -7.303 3.132 4.180) 8.979 19.436 ( 2.767 -4.293 13.659) 14.582 20.046 ( 1.590 -0.804 -10.744) 10.891 20.445 ( -0.219 2.233 -0.021) 2.244 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 3.245 -14.439 -20.345) 25.158 2.695 ( 4.934 -14.168 -20.190) 25.154 3.075 ( -0.413 4.170 12.565) 13.246 3.330 ( -9.806 1.431 11.333) 15.055 3.533 ( -5.537 -5.567 11.440) 13.875 3.843 ( 4.122 -4.305 7.306) 9.429 4.090 ( -6.741 -1.119 -2.453) 7.260 4.209 ( -4.517 6.198 -13.956) 15.924 4.278 ( 0.366 -2.715 -1.339) 3.049 4.562 ( 6.941 -22.278 -23.991) 33.468 4.686 ( 4.532 5.451 0.375) 7.099 5.178 ( 7.182 -1.718 5.695) 9.326 5.230 ( 0.268 10.677 -6.617) 12.564 5.370 ( -1.802 -1.621 8.087) 8.443 5.721 ( -7.350 9.232 12.737) 17.363 6.045 ( -4.682 6.695 8.383) 11.706 6.211 ( 5.489 3.583 -6.256) 9.061 6.452 ( 5.162 3.338 3.942) 7.302 6.680 ( -4.151 -1.079 2.859) 5.155 6.845 ( 2.093 3.438 -0.489) 4.054 7.126 ( -2.873 2.024 1.275) 3.739 7.680 ( 6.558 5.410 0.165) 8.503 7.913 ( -1.794 -0.413 -3.107) 3.611 8.292 ( -2.750 0.412 -1.092) 2.988 8.572 ( 5.863 -0.623 -0.427) 5.911 8.730 ( -6.091 4.104 -4.085) 8.404 9.479 ( 2.905 -5.005 0.796) 5.842 9.782 ( -1.360 1.699 1.466) 2.624 9.947 ( 1.369 5.373 3.610) 6.617 10.210 ( -0.489 -0.450 -3.886) 3.943 10.375 ( -2.999 1.892 -1.981) 4.062 10.591 ( 7.997 7.318 4.883) 11.889 10.813 ( 0.657 2.109 3.064) 3.778 11.404 ( -1.990 4.580 -1.227) 5.142 11.617 ( -6.154 -7.087 3.429) 9.993 11.759 ( 3.701 1.980 5.190) 6.674 11.842 ( -3.424 -3.786 -7.094) 8.740 12.072 ( -1.696 2.204 -2.765) 3.922 12.280 ( 3.404 -1.052 4.478) 5.722 12.504 ( 8.048 -3.867 1.493) 9.053 12.635 ( -7.931 -1.126 -5.765) 9.869 13.461 ( 1.807 2.753 3.627) 4.899 13.630 ( -5.935 -3.371 9.129) 11.399 13.711 ( 10.288 0.398 -12.041) 15.842 14.977 ( -7.317 6.993 -3.179) 10.609 15.601 ( -3.326 -16.303 3.012) 16.909 15.752 ( 1.577 7.556 1.531) 7.869 16.546 ( 15.389 3.334 2.593) 15.959 16.635 ( -13.821 -4.225 -1.717) 14.554 17.304 ( 4.030 9.713 -7.207) 12.749 17.596 ( 2.740 10.693 6.590) 12.856 18.019 ( -0.745 -7.075 -2.945) 7.700 18.594 ( 5.743 -13.738 -1.822) 15.001 18.884 ( -9.399 1.837 3.493) 10.194 19.606 ( -5.098 -3.011 12.607) 13.928 19.898 ( 4.718 -1.935 -11.719) 12.781 20.463 ( 0.446 2.007 0.019) 2.056 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 11.410 -11.670 -22.607) 27.883 2.391 ( 11.841 -18.716 -22.171) 31.338 3.233 ( -6.432 1.214 10.150) 12.077 3.370 ( -13.678 -1.519 16.442) 21.442 3.597 ( -5.741 1.256 10.942) 12.420 3.829 ( 8.155 -12.358 -18.523) 23.713 3.971 ( -0.283 -3.135 -1.446) 3.464 4.049 ( -2.720 -1.983 -4.713) 5.792 4.099 ( -0.948 5.421 -0.334) 5.513 4.513 ( 9.033 -4.823 -1.472) 10.345 4.789 ( 6.290 1.356 3.145) 7.162 5.169 ( -2.100 5.372 -7.179) 9.209 5.347 ( -0.771 -4.063 8.269) 9.245 5.452 ( 5.880 3.715 2.451) 7.374 5.831 ( -15.707 6.885 15.061) 22.824 6.116 ( -2.246 -4.393 -0.419) 4.952 6.175 ( 1.116 11.850 -4.094) 12.587 6.577 ( 3.783 1.604 -2.032) 4.584 6.655 ( -3.794 0.202 3.002) 4.842 6.898 ( 2.560 9.345 -1.375) 9.786 7.157 ( 1.124 0.952 3.414) 3.719 7.751 ( -1.088 -8.014 -7.923) 11.322 7.918 ( 6.681 9.406 7.122) 13.558 8.268 ( 0.035 0.543 0.929) 1.077 8.554 ( -2.115 0.836 -5.930) 6.351 8.682 ( -1.091 -0.535 2.475) 2.757 9.486 ( 5.431 -8.515 -1.381) 10.193 9.857 ( 0.132 4.074 7.330) 8.387 10.038 ( -2.755 2.367 3.971) 5.381 10.169 ( 0.405 5.405 -0.968) 5.506 10.335 ( -2.515 3.917 -2.183) 5.141 10.772 ( -0.681 -1.384 2.333) 2.797 10.826 ( 3.475 7.765 -3.472) 9.188 11.407 ( -3.752 6.760 0.204) 7.734 11.563 ( -2.734 -10.351 2.785) 11.062 11.658 ( -1.932 -1.343 -4.911) 5.445 11.860 ( -0.761 -3.045 4.612) 5.579 12.070 ( 1.351 5.257 -1.110) 5.540 12.423 ( 9.020 3.240 2.787) 9.981 12.440 ( -6.691 -0.253 -6.701) 9.473 12.550 ( 3.481 -2.605 -2.306) 4.921 13.401 ( -10.351 -8.646 -2.362) 13.692 13.582 ( -0.496 5.282 -1.546) 5.526 13.854 ( 16.759 -6.742 1.800) 18.153 14.905 ( -7.583 9.391 -2.131) 12.257 15.487 ( -0.111 -9.221 -1.251) 9.306 15.918 ( 3.739 4.536 10.466) 12.004 16.307 ( -19.417 -2.550 -0.519) 19.590 16.935 ( 20.850 2.127 6.402) 21.914 17.299 ( 4.077 8.518 -10.951) 14.461 17.668 ( -7.559 2.254 -2.469) 8.266 17.968 ( 2.044 -2.031 2.383) 3.739 18.595 ( 10.558 -8.067 -2.916) 13.604 18.825 ( -9.795 -1.340 6.874) 12.041 19.453 ( -12.816 -3.921 -8.323) 15.776 19.968 ( 7.823 0.086 6.195) 9.979 20.482 ( 0.527 1.267 -0.107) 1.377 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 27.506 -12.667 7.820) 31.276 1.961 ( 30.802 -6.514 10.123) 33.070 3.193 ( 31.774 -9.101 18.763) 38.006 3.528 ( 5.151 -3.152 -5.463) 8.143 3.664 ( 0.671 1.784 2.988) 3.544 3.831 ( -8.019 -4.158 -3.660) 9.746 3.974 ( -3.692 1.402 -0.550) 3.987 4.198 ( -4.542 0.393 -0.153) 4.562 4.392 ( -4.220 -5.713 -15.475) 17.027 4.576 ( -8.265 -0.942 -8.210) 11.688 4.872 ( -2.563 5.184 -0.435) 5.799 4.959 ( 0.767 2.105 -6.417) 6.797 5.306 ( -2.075 6.960 5.095) 8.871 5.473 ( 3.769 5.172 3.812) 7.449 5.596 ( -2.239 2.159 10.858) 11.294 6.225 ( -2.089 -1.073 -2.873) 3.711 6.367 ( -16.892 -2.294 -4.897) 17.737 6.473 ( 1.771 3.576 0.768) 4.063 6.681 ( -8.193 1.535 3.887) 9.197 6.807 ( -1.922 -1.103 -2.674) 3.473 7.209 ( -2.209 7.800 -3.847) 8.974 7.596 ( 7.639 -0.856 5.807) 9.634 8.061 ( -8.528 1.005 -7.969) 11.715 8.345 ( 2.315 -0.812 -2.595) 3.571 8.497 ( 2.130 -2.897 -1.535) 3.910 8.848 ( 1.747 -7.155 -3.436) 8.128 9.361 ( 13.684 2.786 5.735) 15.096 10.008 ( -5.766 1.774 -5.493) 8.159 10.142 ( -6.584 2.444 0.155) 7.025 10.182 ( -2.637 1.280 -5.308) 6.063 10.331 ( -3.670 0.352 -1.138) 3.859 10.590 ( -4.317 5.117 2.286) 7.075 10.774 ( -3.066 -0.520 3.284) 4.523 11.361 ( -4.378 4.759 0.084) 6.467 11.537 ( -0.544 -6.076 6.968) 9.261 11.729 ( -3.693 -1.921 0.783) 4.235 11.865 ( 8.136 1.835 4.196) 9.336 12.005 ( -3.686 6.553 -6.438) 9.898 12.353 ( 3.287 -2.346 2.927) 4.988 12.411 ( 0.037 -3.298 -2.244) 3.989 12.620 ( 8.372 -6.769 -1.073) 10.819 13.231 ( 3.588 4.432 10.221) 11.704 13.505 ( -5.383 2.609 -0.597) 6.011 14.001 ( 17.975 -7.543 -5.849) 20.352 14.749 ( -19.409 7.484 3.252) 21.054 15.485 ( 2.988 -2.503 2.306) 4.528 16.384 ( -1.362 -5.802 -14.907) 16.054 16.488 ( -9.395 -4.666 5.366) 11.782 16.755 ( 3.333 13.334 -5.553) 14.823 17.059 ( -0.913 -0.613 -0.145) 1.110 17.576 ( 2.748 -0.020 6.715) 7.255 18.144 ( -1.920 -0.637 -8.820) 9.049 18.335 ( 11.469 1.442 8.890) 14.583 18.940 ( -4.795 3.244 3.070) 6.553 19.332 ( 1.181 -8.919 9.446) 13.045 20.209 ( -0.819 0.418 -9.756) 9.800 20.477 ( -0.906 0.795 -0.950) 1.535 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 21.303 -6.363 14.472) 26.528 2.460 ( 25.425 -3.920 14.411) 29.487 3.398 ( -0.560 -6.734 -11.153) 13.040 3.565 ( -9.010 -3.824 -12.402) 15.799 3.669 ( -5.159 3.209 12.740) 14.115 3.705 ( 4.091 -4.162 -0.566) 5.864 3.923 ( 3.067 -3.558 -5.653) 7.350 4.076 ( -2.115 -6.321 0.195) 6.669 4.286 ( 14.789 -3.990 -4.159) 15.873 4.488 ( 3.360 5.322 5.729) 8.511 4.868 ( 3.255 7.958 -7.036) 11.110 5.002 ( -0.918 2.959 5.079) 5.949 5.388 ( -0.413 6.646 1.439) 6.813 5.485 ( -2.500 -6.724 -1.101) 7.257 5.737 ( -10.425 9.949 3.381) 14.801 6.005 ( -11.117 -1.602 -5.123) 12.346 6.156 ( -2.649 -2.445 -1.311) 3.836 6.549 ( 3.220 4.139 1.106) 5.360 6.665 ( -10.316 5.610 3.513) 12.257 6.745 ( -0.381 -6.206 -2.436) 6.678 7.178 ( 0.457 3.652 -1.548) 3.993 7.768 ( 1.098 -7.326 6.805) 10.059 7.877 ( -1.352 13.050 -8.710) 15.748 8.316 ( 2.225 0.744 -5.550) 6.026 8.475 ( -3.945 -3.540 2.343) 5.795 8.768 ( 2.764 -1.871 -4.926) 5.950 9.607 ( 11.131 1.080 1.316) 11.261 9.878 ( -4.731 2.668 -6.091) 8.160 10.057 ( -6.272 6.254 -3.714) 9.604 10.077 ( -2.848 -4.852 -1.205) 5.753 10.263 ( -3.632 -1.431 1.111) 4.059 10.643 ( -5.160 8.570 4.089) 10.807 10.766 ( -3.645 -2.348 2.987) 5.265 11.328 ( -2.512 2.276 0.414) 3.415 11.579 ( -1.260 -6.791 6.486) 9.475 11.747 ( 5.842 2.291 -0.325) 6.283 11.939 ( -1.527 4.265 -4.338) 6.272 12.004 ( 5.106 -1.917 1.964) 5.797 12.365 ( -0.900 -6.499 2.037) 6.870 12.398 ( -1.797 2.417 0.868) 3.134 12.663 ( 8.083 -3.256 -1.605) 8.861 13.391 ( -1.615 -4.158 10.268) 11.195 13.458 ( -5.244 3.225 0.593) 6.185 14.037 ( 6.833 5.277 -11.790) 14.614 14.723 ( -2.538 4.006 8.752) 9.954 15.538 ( 3.233 -3.677 3.035) 5.760 16.121 ( 1.374 -3.047 -16.761) 17.091 16.302 ( -11.193 -12.940 0.020) 17.109 16.920 ( 3.533 17.458 2.348) 17.966 17.113 ( 2.314 5.587 2.460) 6.528 17.585 ( -7.946 -1.691 0.499) 8.140 18.052 ( 2.450 -2.622 -3.353) 4.911 18.602 ( 8.507 1.273 8.180) 11.871 18.927 ( -0.627 2.122 -2.639) 3.444 19.365 ( -3.101 -14.678 11.200) 18.722 20.088 ( 1.818 2.919 -10.136) 10.704 20.464 ( -0.915 1.355 -0.481) 1.704 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 11.998 -1.970 11.599) 16.803 2.852 ( 9.731 -4.908 1.011) 10.945 3.059 ( -1.129 -10.335 -11.448) 15.464 3.251 ( -3.115 -6.708 -10.665) 12.979 3.706 ( -8.808 -2.829 3.088) 9.753 3.753 ( -6.723 0.949 9.977) 12.068 3.817 ( 13.991 -4.792 -1.576) 14.873 4.161 ( 6.677 -0.444 0.795) 6.739 4.367 ( 3.762 2.052 -0.171) 4.289 4.792 ( 0.294 4.070 0.270) 4.089 4.878 ( 1.888 2.226 6.807) 7.407 5.054 ( 5.835 2.705 -4.343) 7.760 5.301 ( -6.443 -3.821 -6.495) 9.914 5.376 ( -4.527 2.463 -6.432) 8.242 5.597 ( -1.892 0.117 -0.384) 1.934 5.994 ( -1.817 10.660 -1.927) 10.984 6.091 ( -4.940 -6.007 5.304) 9.414 6.559 ( -5.459 -0.572 -1.795) 5.775 6.649 ( 3.727 5.194 1.374) 6.538 6.712 ( -2.987 -0.713 4.246) 5.240 7.244 ( 4.130 4.837 -0.670) 6.396 7.643 ( -10.621 3.458 -1.582) 11.281 8.018 ( 6.834 3.459 1.111) 7.740 8.274 ( 1.290 1.166 -3.028) 3.492 8.425 ( -4.968 -2.410 3.172) 6.368 8.767 ( 4.582 2.586 -3.717) 6.442 9.612 ( -2.398 -0.556 -6.932) 7.356 9.828 ( 1.941 2.621 -0.943) 3.395 9.946 ( -5.045 2.795 -4.126) 7.092 10.104 ( 1.192 -1.758 5.749) 6.129 10.262 ( 0.961 0.478 2.729) 2.933 10.613 ( -8.005 2.599 -2.078) 8.669 10.777 ( -2.053 2.281 4.769) 5.671 11.366 ( 3.181 3.081 0.697) 4.483 11.573 ( -2.525 -5.911 4.138) 7.645 11.846 ( 6.641 0.593 -2.787) 7.226 11.921 ( -1.303 6.293 -0.538) 6.449 12.021 ( 5.202 -6.165 -2.671) 8.497 12.311 ( -3.929 -1.524 -0.562) 4.251 12.395 ( -4.265 -3.601 5.668) 7.955 12.750 ( 7.334 -0.184 0.660) 7.366 13.369 ( -6.509 -2.547 0.702) 7.025 13.459 ( 0.589 -0.462 0.639) 0.984 13.987 ( -3.369 5.581 -3.308) 7.311 14.904 ( 8.529 6.506 2.142) 10.939 15.609 ( 2.185 -2.020 6.692) 7.324 15.941 ( 2.624 -3.412 -11.266) 12.060 16.079 ( -7.474 -11.735 0.941) 13.944 17.100 ( 3.647 17.320 -3.295) 18.004 17.254 ( 1.991 7.215 6.835) 10.136 17.407 ( -12.914 -1.899 -2.461) 13.283 18.042 ( 2.505 -5.041 0.090) 5.630 18.682 ( -0.577 -9.463 -1.326) 9.572 18.959 ( 6.271 6.567 -1.593) 9.219 19.379 ( -0.943 -12.370 11.647) 17.016 20.021 ( 0.899 2.412 -6.335) 6.838 20.460 ( -0.833 1.851 -0.163) 2.036 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -3.562 -13.957 -20.852) 25.344 2.653 ( -1.631 -14.779 -22.132) 26.662 2.960 ( 6.131 -0.180 9.637) 11.424 3.423 ( 6.466 2.160 14.775) 16.272 3.672 ( -1.792 -1.868 9.162) 9.520 3.817 ( -8.234 2.028 10.794) 13.727 4.003 ( 14.873 -4.605 0.724) 15.586 4.220 ( 4.737 -3.623 0.366) 5.975 4.353 ( -4.898 -2.786 -13.135) 14.292 4.626 ( -2.276 0.694 -1.702) 2.926 4.670 ( -11.721 -11.285 -17.995) 24.260 5.093 ( -2.238 -0.098 0.297) 2.260 5.247 ( 1.066 7.893 -3.833) 8.839 5.356 ( 0.242 7.816 1.166) 7.906 5.714 ( 9.081 4.286 5.782) 11.587 5.992 ( 1.630 -7.643 3.603) 8.606 6.166 ( 0.384 11.930 5.623) 13.194 6.488 ( -5.533 3.395 -0.489) 6.510 6.731 ( -0.005 1.354 3.200) 3.475 6.776 ( 2.282 2.900 3.126) 4.837 7.250 ( -3.694 3.265 -4.209) 6.483 7.594 ( -0.803 6.236 -0.155) 6.290 8.028 ( -5.767 0.328 0.378) 5.788 8.350 ( 6.696 0.374 2.729) 7.241 8.394 ( -1.895 -0.428 0.093) 1.945 8.795 ( 1.957 2.194 -1.885) 3.492 9.474 ( -2.893 -3.397 -4.737) 6.507 9.869 ( -3.168 3.136 0.790) 4.527 9.911 ( 0.616 6.406 2.304) 6.835 10.150 ( 2.388 -4.313 1.516) 5.158 10.382 ( 6.051 4.535 3.642) 8.394 10.491 ( -4.999 0.648 -3.307) 6.029 10.838 ( -2.221 5.119 3.703) 6.697 11.419 ( 1.620 2.847 -2.594) 4.178 11.591 ( 4.243 -3.585 4.091) 6.899 11.829 ( -0.680 -6.960 0.010) 6.993 11.887 ( -6.137 3.573 -2.457) 7.514 12.069 ( 7.246 5.371 -5.306) 10.465 12.251 ( -0.914 0.413 -1.334) 1.668 12.396 ( -3.606 -8.143 8.490) 12.305 12.806 ( -1.706 -1.217 0.318) 2.120 13.280 ( 5.552 -2.406 -7.527) 9.658 13.480 ( 1.431 3.573 -0.289) 3.860 13.932 ( -8.122 -4.239 3.851) 9.938 15.022 ( 4.467 11.976 -6.899) 14.525 15.747 ( -1.041 8.553 0.821) 8.655 15.771 ( -5.715 -20.017 8.390) 22.444 16.072 ( 12.445 -2.037 2.099) 12.785 17.097 ( -14.446 3.150 -4.437) 15.436 17.224 ( 0.179 8.993 -6.103) 10.870 17.481 ( 4.470 8.898 8.094) 12.833 18.022 ( 0.254 -6.429 0.025) 6.434 18.524 ( 0.160 -13.682 -5.669) 14.811 19.032 ( -0.458 5.502 -1.197) 5.650 19.498 ( 8.606 -7.259 8.607) 14.171 19.950 ( -5.102 -0.731 -1.799) 5.459 20.464 ( -0.528 2.101 -0.181) 2.174 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 1.592 -18.935 -24.307) 30.853 2.181 ( 2.081 -20.067 -25.575) 32.574 3.203 ( 6.418 -0.306 9.823) 11.738 3.633 ( -4.969 5.410 13.511) 15.379 3.741 ( -4.895 -27.971 -36.081) 45.915 3.812 ( -6.051 -1.426 1.385) 6.370 3.905 ( 3.168 1.255 16.766) 17.108 4.097 ( 2.648 -3.723 1.565) 4.829 4.235 ( -6.558 1.435 -1.516) 6.882 4.403 ( -0.363 -0.101 7.474) 7.483 4.743 ( -0.382 9.141 1.495) 9.270 5.082 ( 6.026 1.550 -1.431) 6.384 5.224 ( -2.563 7.331 -5.351) 9.431 5.445 ( 3.040 -0.414 4.173) 5.179 5.904 ( 6.424 8.290 -2.899) 10.881 6.034 ( 3.301 -8.138 5.348) 10.282 6.386 ( -1.473 15.954 9.049) 18.401 6.467 ( -1.430 4.077 0.677) 4.373 6.754 ( -3.179 -2.421 3.000) 4.997 6.847 ( 0.973 4.781 -0.005) 4.879 7.160 ( -0.818 1.985 -3.732) 4.305 7.641 ( 1.340 4.381 -1.453) 4.806 7.976 ( -5.464 1.444 3.353) 6.571 8.342 ( -5.148 -0.210 0.860) 5.223 8.465 ( 6.972 -0.494 -1.183) 7.089 8.789 ( -2.094 -1.044 0.554) 2.404 9.365 ( 1.339 -6.757 -4.871) 8.437 9.895 ( -3.380 4.355 6.319) 8.386 10.040 ( 1.866 6.324 5.841) 8.808 10.165 ( 2.278 0.316 -0.860) 2.455 10.391 ( -2.396 1.036 -2.279) 3.466 10.586 ( 8.476 7.255 2.451) 11.423 10.874 ( -3.015 3.447 0.715) 4.635 11.417 ( 1.595 4.375 -2.427) 5.251 11.666 ( 2.972 -7.500 0.278) 8.072 11.760 ( -6.245 0.274 -0.444) 6.267 11.831 ( 0.034 0.479 2.617) 2.660 12.064 ( -1.704 9.350 -6.495) 11.511 12.284 ( 4.514 -0.603 0.884) 4.639 12.408 ( 1.464 -7.167 3.684) 8.191 12.675 ( -10.296 -2.387 -4.257) 11.394 13.316 ( 18.400 -2.068 -8.632) 20.429 13.532 ( 0.417 4.716 0.166) 4.738 13.793 ( -10.198 -14.322 3.857) 18.000 15.060 ( -1.428 18.742 -6.017) 19.736 15.566 ( -5.282 -12.680 -1.423) 13.809 15.897 ( -3.246 0.021 14.122) 14.490 16.368 ( 21.227 0.849 6.806) 22.308 16.825 ( -19.364 -2.203 -1.211) 19.527 17.216 ( 2.211 10.507 -9.923) 14.620 17.700 ( 4.822 7.745 2.252) 9.397 17.956 ( -1.815 -6.182 1.703) 6.664 18.382 ( 4.672 -12.183 -4.901) 13.938 19.016 ( -4.454 3.889 -0.593) 5.942 19.637 ( 10.594 -3.769 -8.255) 13.950 19.862 ( -10.525 -4.351 13.029) 17.305 20.473 ( 0.002 1.871 -0.162) 1.878 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 9.628 -17.923 -23.124) 30.800 1.772 ( 11.476 -24.317 -22.499) 35.060 2.963 ( 8.786 -41.619 -36.000) 55.725 3.367 ( 0.753 -1.471 6.955) 7.148 3.686 ( -8.401 -4.024 5.075) 10.608 3.834 ( 2.059 8.236 5.689) 10.219 4.064 ( -5.897 6.980 -1.320) 9.233 4.197 ( -0.390 5.236 16.914) 17.711 4.247 ( -5.671 4.904 7.222) 10.410 4.519 ( -4.893 1.709 8.992) 10.379 4.798 ( 2.184 3.134 4.649) 6.017 5.113 ( -0.912 6.181 -9.242) 11.156 5.277 ( 10.483 -1.544 3.883) 11.285 5.520 ( -0.376 0.552 3.520) 3.583 5.885 ( 5.131 2.868 -17.459) 18.422 6.117 ( 2.804 -2.884 8.432) 9.343 6.470 ( -15.150 10.028 7.688) 19.728 6.517 ( -0.097 4.022 -2.449) 4.710 6.712 ( -1.691 -5.855 2.262) 6.500 6.895 ( 2.693 9.436 -2.182) 10.053 7.223 ( 4.882 3.655 4.090) 7.343 7.611 ( -1.964 -0.398 -6.325) 6.635 8.035 ( 0.699 4.087 8.238) 9.223 8.301 ( -2.442 -0.499 1.564) 2.943 8.486 ( 2.058 0.294 -3.574) 4.135 8.743 ( -4.365 -3.980 1.454) 6.084 9.276 ( 6.397 -10.173 -6.052) 13.455 10.009 ( -0.842 5.596 8.045) 9.836 10.137 ( -1.693 1.779 3.323) 4.132 10.257 ( 1.368 9.018 6.499) 11.200 10.357 ( -1.490 2.852 -1.849) 3.711 10.749 ( 6.614 0.725 -0.242) 6.658 10.810 ( -5.381 5.011 -5.592) 9.238 11.481 ( 4.150 7.883 -0.997) 8.964 11.595 ( -6.351 -6.097 -2.177) 9.069 11.623 ( -6.177 -1.671 -0.622) 6.429 11.916 ( -0.544 -0.346 3.681) 3.737 12.067 ( 2.615 9.645 -2.709) 10.354 12.352 ( 5.197 -4.032 2.453) 7.020 12.402 ( -0.722 1.327 -7.193) 7.350 12.491 ( -1.160 -2.508 -1.258) 3.036 13.341 ( 0.155 -5.794 -12.208) 13.514 13.548 ( 4.942 -3.690 2.556) 6.677 13.674 ( 3.161 -10.673 2.753) 11.467 15.096 ( -8.069 20.397 -2.234) 22.049 15.428 ( -1.735 -9.167 0.720) 9.357 16.084 ( 1.028 -0.329 16.764) 16.799 16.553 ( -18.366 -2.333 2.608) 18.696 16.756 ( 20.789 1.777 5.458) 21.567 17.173 ( 1.921 8.353 -10.388) 13.467 17.635 ( -2.725 -5.251 -9.861) 11.499 18.039 ( -1.611 0.343 8.464) 8.623 18.345 ( 11.972 -4.127 -5.842) 13.946 18.987 ( -4.695 2.086 2.648) 5.780 19.421 ( -9.385 -4.850 -13.300) 16.985 20.027 ( 3.776 -2.491 15.402) 16.052 20.485 ( 0.179 1.120 0.049) 1.135 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 0.000 0.000 26.128) 26.128 2.778 ( 0.000 0.000 26.128) 26.128 3.283 ( -0.000 -0.000 -7.506) 7.506 3.513 ( 0.000 -0.000 -3.576) 3.576 3.513 ( -0.000 -0.000 -3.576) 3.576 3.706 ( -0.000 -0.000 -6.182) 6.182 3.767 ( 0.000 -0.000 2.947) 2.947 3.767 ( -0.000 0.000 2.947) 2.947 4.754 ( 0.000 -0.000 -2.306) 2.306 4.754 ( -0.000 -0.000 -2.306) 2.306 4.851 ( 0.000 0.000 27.072) 27.072 5.256 ( -0.000 -0.000 -5.436) 5.436 5.299 ( -0.000 -0.000 -4.391) 4.391 5.299 ( -0.000 -0.000 -4.391) 4.391 5.593 ( -0.000 -0.000 -2.926) 2.926 5.942 ( 0.000 0.000 13.492) 13.492 6.344 ( 0.000 0.000 -9.984) 9.984 6.344 ( -0.000 0.000 -9.984) 9.984 6.598 ( -0.000 -0.000 -11.418) 11.418 6.598 ( -0.000 -0.000 -11.418) 11.418 6.885 ( -0.000 -0.000 -0.933) 0.933 8.042 ( 0.000 0.000 -1.795) 1.795 8.042 ( -0.000 0.000 -1.795) 1.795 8.103 ( 0.000 0.000 1.734) 1.734 8.952 ( 0.000 0.000 8.655) 8.655 8.952 ( 0.000 0.000 8.655) 8.655 9.408 ( 0.000 0.000 4.957) 4.957 9.816 ( 0.000 -0.000 -2.008) 2.008 9.816 ( 0.000 -0.000 -2.008) 2.008 10.389 ( -0.000 -0.000 -5.769) 5.769 10.389 ( -0.000 -0.000 -5.769) 5.769 10.409 ( 0.000 0.000 1.397) 1.397 11.143 ( -0.000 -0.000 -21.390) 21.390 11.274 ( 0.000 -0.000 -1.161) 1.161 11.274 ( -0.000 -0.000 -1.161) 1.161 11.573 ( -0.000 -0.000 -5.941) 5.941 11.939 ( 0.000 0.000 5.378) 5.378 11.939 ( -0.000 -0.000 5.378) 5.378 12.561 ( 0.000 -0.000 1.708) 1.708 12.561 ( -0.000 -0.000 1.708) 1.708 12.925 ( -0.000 -0.000 -2.890) 2.890 13.386 ( -0.000 -0.000 -7.422) 7.422 13.502 ( 0.000 0.000 5.969) 5.969 13.502 ( -0.000 0.000 5.969) 5.969 14.648 ( -0.000 -0.000 -1.188) 1.188 16.094 ( 0.000 0.000 6.160) 6.160 16.102 ( 0.000 0.000 -2.344) 2.344 16.102 ( -0.000 0.000 -2.344) 2.344 16.713 ( 0.000 0.000 15.659) 15.659 17.450 ( -0.000 -0.000 -16.361) 16.361 17.450 ( -0.000 0.000 -16.361) 16.361 18.128 ( 0.000 0.000 13.234) 13.234 18.128 ( 0.000 0.000 13.234) 13.234 18.789 ( -0.000 -0.000 -17.346) 17.346 19.801 ( 0.000 0.000 7.500) 7.500 19.801 ( -0.000 -0.000 7.500) 7.500 20.470 ( -0.000 -0.000 -2.066) 2.066 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -13.676 -8.811 -5.501) 17.174 3.101 ( 4.611 -4.790 10.697) 12.595 3.125 ( 1.882 5.619 19.167) 20.062 3.323 ( -8.968 -11.026 4.750) 14.985 3.570 ( 1.133 8.644 4.082) 9.627 3.590 ( -17.225 5.468 2.895) 18.302 3.802 ( 14.924 -6.184 4.990) 16.907 4.075 ( 10.898 5.837 5.724) 13.623 4.601 ( -6.569 -4.567 -5.365) 9.633 4.767 ( 3.221 4.175 -6.146) 8.098 4.957 ( 1.235 0.269 -9.047) 9.134 5.059 ( -5.928 -9.066 -7.686) 13.282 5.200 ( -7.583 7.794 -2.831) 11.236 5.360 ( 6.045 -0.940 -0.364) 6.129 5.758 ( 0.876 -0.807 19.783) 19.818 5.946 ( -9.443 -5.150 -1.656) 10.883 6.228 ( 10.763 -8.031 -6.013) 14.714 6.343 ( 4.431 13.987 -6.238) 15.943 6.487 ( 1.671 4.278 -8.943) 10.053 6.551 ( 7.518 5.692 -4.282) 10.356 6.835 ( -3.612 -3.814 -0.727) 5.303 7.906 ( -3.510 -13.094 -1.552) 13.645 8.006 ( -5.815 9.400 -1.139) 11.112 8.234 ( 8.977 2.441 0.259) 9.307 8.916 ( -7.086 -3.594 0.649) 7.972 9.080 ( 1.361 -0.701 3.857) 4.150 9.473 ( -1.708 1.297 3.250) 3.894 9.809 ( 1.940 0.133 2.716) 3.340 9.879 ( 4.116 2.348 1.905) 5.107 10.283 ( -0.552 -2.549 -5.117) 5.744 10.326 ( 1.544 3.367 -6.917) 7.846 10.422 ( 0.266 -1.007 0.991) 1.438 10.765 ( -7.701 -4.243 -16.699) 18.873 11.243 ( -1.180 1.381 -0.898) 2.026 11.398 ( 10.674 5.155 -2.678) 12.152 11.529 ( 2.133 0.013 -3.314) 3.941 11.939 ( -7.385 -1.766 5.686) 9.486 12.059 ( 3.286 0.743 5.593) 6.529 12.507 ( -6.565 -5.164 2.797) 8.809 12.596 ( -0.671 0.103 2.475) 2.566 12.927 ( 3.355 2.393 -3.181) 5.206 13.308 ( 1.112 1.250 -5.519) 5.767 13.347 ( -10.510 -7.772 1.851) 13.202 13.768 ( 11.966 6.625 2.973) 13.997 14.676 ( 2.970 3.969 -2.585) 5.590 15.890 ( -17.078 -4.433 3.175) 17.927 16.056 ( 1.471 -7.936 2.692) 8.508 16.338 ( 9.164 5.878 2.888) 11.264 16.929 ( 0.321 2.203 11.826) 12.033 17.162 ( -4.289 1.182 -15.349) 15.981 17.343 ( 8.960 1.032 -14.599) 17.160 18.261 ( -1.768 -5.667 11.327) 12.788 18.345 ( 1.601 5.156 13.042) 14.115 18.585 ( 1.003 1.667 -13.718) 13.855 19.703 ( -10.772 -6.394 4.832) 13.426 20.039 ( 8.113 4.230 4.462) 10.180 20.443 ( 0.318 0.279 -2.240) 2.280 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -20.511 -14.594 -2.078) 25.259 2.865 ( -15.840 -18.437 -1.703) 24.367 3.443 ( -7.678 -1.391 11.180) 13.634 3.477 ( 7.922 13.708 6.566) 17.140 3.522 ( -2.258 4.463 11.369) 12.421 3.749 ( 3.198 4.243 9.769) 11.120 4.003 ( 2.023 -7.268 2.258) 7.875 4.219 ( 9.003 0.527 3.090) 9.533 4.465 ( -7.517 1.084 0.467) 7.609 4.712 ( 4.505 -0.838 -11.290) 12.184 4.784 ( -5.432 -1.659 -4.888) 7.494 4.851 ( -3.600 2.379 -9.679) 10.598 5.140 ( 0.279 -1.460 -4.163) 4.420 5.438 ( 3.576 0.830 3.317) 4.948 5.693 ( -2.351 -7.677 -10.985) 13.606 5.971 ( -1.741 1.784 7.381) 7.791 6.275 ( 7.317 5.384 -5.434) 10.586 6.446 ( 6.330 -0.435 3.206) 7.108 6.462 ( 3.517 10.531 -5.875) 12.562 6.708 ( -5.595 0.356 3.289) 6.500 6.770 ( 12.858 2.750 -1.411) 13.225 7.752 ( -3.248 -13.656 1.015) 14.074 8.014 ( -1.711 10.608 -2.618) 11.059 8.337 ( 5.145 0.403 -0.298) 5.169 8.767 ( -5.986 -2.809 -5.611) 8.672 9.078 ( -1.624 1.070 -3.790) 4.260 9.466 ( -3.039 -5.276 4.016) 7.294 9.899 ( 2.263 3.752 1.551) 4.648 9.952 ( 4.184 0.978 -1.800) 4.659 10.230 ( 1.033 -2.327 0.022) 2.545 10.312 ( 3.265 6.943 -5.649) 9.527 10.414 ( -2.322 -1.722 -3.709) 4.703 10.537 ( 1.848 -0.478 -1.918) 2.706 11.240 ( 0.428 2.211 -0.722) 2.365 11.494 ( 2.059 -0.511 1.251) 2.463 11.568 ( 9.962 3.828 -3.591) 11.260 11.895 ( -9.474 -0.152 5.634) 11.024 12.161 ( 1.168 -0.364 3.727) 3.923 12.395 ( -6.295 -8.355 1.087) 10.517 12.626 ( -3.126 1.726 3.742) 5.172 12.947 ( 3.057 0.342 -0.883) 3.200 13.163 ( -11.199 -7.034 1.544) 13.314 13.302 ( 5.638 1.897 -5.004) 7.774 14.005 ( 14.501 7.034 0.056) 16.117 14.649 ( -5.654 3.098 -3.961) 7.566 15.711 ( -11.711 -6.672 4.321) 14.154 16.118 ( 3.334 -2.441 8.241) 9.218 16.489 ( 5.460 1.270 1.234) 5.739 16.891 ( -3.021 1.710 -14.975) 15.372 17.060 ( -1.065 4.803 -0.792) 4.983 17.346 ( 10.366 0.164 -3.833) 11.053 18.259 ( -2.888 -4.426 -0.583) 5.316 18.505 ( -1.297 -0.877 1.153) 1.944 18.596 ( 3.564 6.170 11.944) 13.908 19.579 ( -9.471 -6.412 3.932) 12.094 20.176 ( 4.786 2.613 -0.537) 5.479 20.429 ( 1.243 0.873 -1.712) 2.289 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -25.443 -18.698 4.393) 31.879 2.509 ( -20.411 -17.920 4.775) 27.578 3.472 ( -6.040 3.770 9.900) 12.194 3.621 ( 0.894 -3.254 -3.538) 4.889 3.734 ( 3.439 11.604 1.859) 12.245 3.830 ( -5.113 -3.198 -1.579) 6.235 3.949 ( -0.050 -1.157 10.570) 10.634 4.342 ( -15.178 -1.440 3.969) 15.754 4.413 ( 9.089 2.122 -4.219) 10.243 4.562 ( -5.422 4.460 -6.679) 9.690 4.730 ( 2.298 2.775 -8.264) 9.015 4.828 ( 7.122 -3.155 3.677) 8.613 5.096 ( 6.860 -3.753 -0.673) 7.849 5.422 ( 1.284 -11.291 -8.254) 14.045 5.583 ( -0.122 5.324 3.290) 6.259 6.083 ( 7.490 6.085 0.438) 9.660 6.302 ( 2.724 3.636 -4.419) 6.338 6.475 ( -3.785 3.015 -3.985) 6.269 6.561 ( 4.799 9.684 -1.114) 10.865 6.694 ( 6.157 -5.681 4.145) 9.347 6.981 ( 9.635 3.176 0.707) 10.169 7.665 ( -1.768 -10.648 4.055) 11.531 8.021 ( -0.681 10.768 -6.204) 12.446 8.369 ( 1.062 -0.457 -0.501) 1.260 8.595 ( -4.127 -1.103 -6.874) 8.093 8.980 ( -2.802 2.632 -7.575) 8.495 9.441 ( -1.956 -9.858 5.275) 11.351 9.934 ( 2.013 4.070 -3.966) 6.029 9.972 ( 5.072 2.031 -4.612) 7.150 10.235 ( -3.098 0.427 0.729) 3.211 10.303 ( 0.260 3.947 -2.843) 4.872 10.386 ( 5.576 1.361 -0.927) 5.814 10.654 ( 7.293 0.356 4.865) 8.774 11.271 ( 1.596 3.007 0.502) 3.441 11.553 ( 2.866 -1.489 5.302) 6.208 11.681 ( 8.531 4.352 -2.298) 9.849 11.853 ( -7.448 0.374 3.936) 8.433 12.121 ( -9.199 -5.427 0.757) 10.707 12.314 ( 2.036 -4.599 -0.778) 5.089 12.609 ( -7.606 1.801 1.764) 8.013 12.939 ( -10.768 1.987 -0.483) 10.961 13.066 ( 5.513 -11.215 5.758) 13.759 13.348 ( 6.724 2.262 -2.192) 7.425 14.219 ( 12.817 8.716 -9.164) 18.007 14.519 ( -10.138 -0.055 5.549) 11.558 15.606 ( -6.768 -4.496 3.758) 8.952 16.315 ( 7.609 -0.713 10.152) 12.707 16.534 ( 3.416 0.789 -2.351) 4.221 16.633 ( -6.376 2.596 -16.971) 18.314 17.061 ( 1.508 3.331 -3.176) 4.843 17.457 ( 8.418 0.543 0.778) 8.471 18.168 ( -2.883 -1.689 -3.130) 4.578 18.502 ( -5.790 -4.783 6.992) 10.261 18.823 ( 3.688 4.067 8.069) 9.760 19.502 ( -5.636 -5.288 6.628) 10.182 20.188 ( 1.083 3.136 -6.052) 6.902 20.436 ( 1.921 0.778 -1.513) 2.566 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -24.422 -17.192 13.882) 32.935 2.245 ( -20.432 -15.792 15.080) 29.904 3.405 ( -1.898 -6.701 -13.082) 14.821 3.601 ( -0.597 2.043 9.526) 9.761 3.741 ( -11.219 -1.984 7.995) 13.918 3.876 ( -3.793 9.450 -0.447) 10.192 3.982 ( 0.542 -6.557 1.935) 6.857 4.194 ( -11.543 -0.867 0.153) 11.577 4.323 ( -4.566 4.865 -10.300) 12.272 4.565 ( -2.431 10.300 -6.423) 12.379 4.616 ( 8.011 -5.017 -6.924) 11.717 4.961 ( 6.917 1.996 5.563) 9.098 5.171 ( 4.993 -6.828 -3.942) 9.332 5.405 ( 9.637 -5.574 5.281) 12.323 5.693 ( 4.743 3.006 6.059) 8.261 6.191 ( 0.936 1.478 -5.092) 5.384 6.290 ( 7.261 8.328 -8.187) 13.751 6.420 ( 1.668 -0.105 -0.032) 1.672 6.713 ( 5.770 7.346 2.864) 9.770 6.776 ( 3.465 -0.325 -0.185) 3.485 7.079 ( 4.465 -0.086 1.013) 4.579 7.628 ( -0.203 -5.944 0.933) 6.020 8.002 ( -0.756 9.093 -5.806) 10.815 8.352 ( -2.362 2.587 -0.861) 3.608 8.492 ( -0.353 -2.767 -2.231) 3.571 8.861 ( -2.804 1.894 -6.487) 7.317 9.406 ( -3.708 -8.703 5.155) 10.774 9.923 ( 2.315 4.403 -6.470) 8.161 10.002 ( 7.779 1.936 -5.258) 9.587 10.186 ( -3.391 0.907 -0.777) 3.595 10.340 ( 0.329 3.157 1.852) 3.675 10.479 ( 9.497 -1.335 -0.028) 9.590 10.801 ( 5.199 1.805 2.763) 6.159 11.331 ( 2.323 1.896 1.919) 3.560 11.679 ( 1.719 3.409 6.123) 7.215 11.774 ( 4.100 -5.316 -2.986) 7.348 11.830 ( -1.030 7.628 2.997) 8.260 11.956 ( -7.322 -6.525 1.133) 9.872 12.303 ( 2.541 -3.752 -1.663) 4.827 12.528 ( -7.879 1.334 0.059) 7.991 12.771 ( -14.221 2.546 -0.462) 14.455 13.190 ( 9.586 -14.474 9.504) 19.791 13.442 ( 6.773 2.679 -0.233) 7.287 14.076 ( -12.540 3.222 -10.289) 16.538 14.708 ( 12.007 6.242 9.497) 16.533 15.576 ( -3.432 -0.725 4.574) 5.764 16.265 ( -11.640 3.166 -19.435) 22.874 16.436 ( 10.964 -15.296 -5.773) 19.685 16.682 ( 2.869 13.205 9.336) 16.425 17.068 ( 0.080 4.018 -0.326) 4.032 17.585 ( 9.068 0.015 1.065) 9.131 18.072 ( -4.687 -1.396 -2.704) 5.588 18.464 ( -7.789 -8.125 7.567) 13.563 18.953 ( 2.121 2.696 2.438) 4.208 19.543 ( -1.397 -4.866 10.860) 11.982 20.085 ( -2.902 4.621 -12.270) 13.428 20.448 ( 1.819 0.623 -0.821) 2.090 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -0.584 -18.834 -3.547) 19.174 3.159 ( -8.458 -3.748 2.297) 9.532 3.313 ( 7.484 8.541 2.148) 11.557 3.489 ( -4.052 -8.931 15.420) 18.275 3.633 ( 6.332 3.487 12.573) 14.503 3.692 ( 6.726 -11.954 9.733) 16.819 3.935 ( -8.860 12.102 8.616) 17.297 4.174 ( 0.400 12.260 8.492) 14.919 4.484 ( -1.015 -14.183 -12.512) 18.940 4.626 ( 2.814 2.454 -5.067) 6.295 4.832 ( -1.624 5.663 -11.488) 12.910 4.995 ( 2.081 -3.703 -8.781) 9.754 5.123 ( 0.982 -7.069 -1.361) 7.265 5.396 ( -0.761 10.908 0.069) 10.934 5.803 ( -9.911 -8.786 -15.100) 20.085 5.979 ( 9.478 -0.065 -7.544) 12.114 6.085 ( -1.972 -0.106 14.499) 14.633 6.375 ( 1.246 1.168 -5.024) 5.306 6.458 ( -4.968 7.726 4.015) 10.025 6.467 ( 5.726 9.394 -0.064) 11.002 6.851 ( -0.709 0.986 -0.727) 1.415 7.841 ( -4.266 -11.343 -1.366) 12.195 8.062 ( 6.202 4.985 -1.479) 8.094 8.209 ( -2.855 4.418 1.316) 5.422 8.861 ( 0.272 -9.441 -7.429) 12.016 9.055 ( 0.907 1.715 -5.205) 5.555 9.555 ( -1.887 5.474 1.316) 5.938 9.845 ( 1.499 -1.593 4.327) 4.848 9.899 ( -0.829 2.150 0.391) 2.337 10.190 ( -0.476 -4.077 -3.345) 5.295 10.278 ( 1.483 1.953 0.071) 2.454 10.429 ( -0.853 0.698 -0.399) 1.172 10.555 ( 0.250 -4.419 -12.343) 13.113 11.296 ( 5.076 6.115 -1.826) 8.154 11.321 ( -4.692 4.837 -0.295) 6.745 11.510 ( -0.805 1.885 -0.254) 2.065 12.049 ( 4.345 -2.801 4.949) 7.157 12.096 ( -3.482 -0.015 4.391) 5.604 12.566 ( -4.657 -8.034 3.408) 9.891 12.616 ( 4.829 -5.474 5.859) 9.360 12.893 ( -0.899 3.532 -2.038) 4.176 13.224 ( -0.463 2.757 -5.217) 5.919 13.383 ( 0.398 -10.727 0.378) 10.741 13.765 ( -0.636 12.176 -1.612) 12.298 14.667 ( 1.707 5.566 -1.121) 5.929 15.946 ( 3.085 -14.187 5.412) 15.495 16.103 ( -5.915 -1.581 1.016) 6.207 16.355 ( 1.401 6.388 4.556) 7.970 16.926 ( -0.076 -4.056 -12.649) 13.284 17.090 ( 7.464 3.385 -2.419) 8.545 17.177 ( -6.773 7.938 -3.884) 11.134 18.334 ( -1.346 -4.860 -4.759) 6.934 18.486 ( 0.660 1.326 11.475) 11.570 18.544 ( 0.966 4.922 7.932) 9.385 19.742 ( -0.230 -13.782 2.239) 13.965 20.084 ( -0.027 9.472 1.170) 9.544 20.410 ( 0.048 0.431 -2.305) 2.346 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -9.144 -23.186 2.591) 25.059 2.977 ( -15.129 -7.167 2.186) 16.883 3.462 ( 6.759 6.840 -2.633) 9.970 3.642 ( -0.213 0.631 12.455) 12.473 3.715 ( -4.724 -8.854 4.059) 10.825 3.894 ( 5.025 -1.952 11.367) 12.581 4.066 ( -9.434 0.002 6.030) 11.196 4.156 ( 3.226 -0.486 -1.374) 3.540 4.481 ( 11.216 1.542 5.376) 12.533 4.632 ( 0.251 5.694 -2.799) 6.350 4.696 ( -4.627 6.611 -8.572) 11.773 4.859 ( -4.023 1.395 -6.874) 8.085 5.036 ( -0.210 -6.552 -4.911) 8.191 5.402 ( -5.991 -7.988 -5.821) 11.558 5.529 ( 4.843 6.027 -4.907) 9.157 5.963 ( 3.433 4.097 -7.537) 9.240 6.242 ( 1.863 -1.876 5.701) 6.284 6.401 ( 8.175 1.658 -1.559) 8.486 6.447 ( 0.798 9.695 -2.502) 10.044 6.633 ( 1.811 1.988 -2.408) 3.610 6.879 ( -2.465 6.338 7.934) 10.450 7.712 ( -1.914 -11.636 1.264) 11.860 8.070 ( -3.585 6.016 -3.271) 7.729 8.282 ( 5.053 1.757 1.060) 5.453 8.670 ( -0.584 -5.618 -10.104) 11.575 8.989 ( 1.659 2.463 -10.025) 10.455 9.508 ( -4.583 -0.638 -1.231) 4.788 9.857 ( 2.445 -1.051 -4.171) 4.948 9.911 ( 0.995 2.823 -2.638) 3.990 10.219 ( 3.057 -1.339 6.153) 7.000 10.338 ( -1.275 1.842 3.391) 4.064 10.379 ( -1.312 1.272 -4.963) 5.288 10.478 ( 3.589 -0.888 1.574) 4.019 11.283 ( -3.349 5.108 -0.033) 6.108 11.430 ( 9.325 5.674 -1.950) 11.088 11.527 ( -0.745 1.659 2.611) 3.182 12.067 ( -7.067 0.279 3.314) 7.810 12.150 ( 4.632 -1.933 1.928) 5.377 12.449 ( -9.108 -11.584 3.084) 15.055 12.719 ( 2.586 -5.548 7.946) 10.030 12.868 ( 0.746 -2.378 -1.919) 3.145 13.198 ( 1.733 3.638 -4.456) 6.008 13.291 ( -6.937 -3.311 2.793) 8.179 13.860 ( 9.982 8.872 -5.581) 14.474 14.713 ( -1.847 7.539 -0.702) 7.794 15.849 ( -10.353 -11.083 4.359) 15.780 16.127 ( 6.023 -5.407 5.007) 9.517 16.436 ( 2.609 -0.953 -1.375) 3.099 16.808 ( -2.350 8.046 -6.647) 10.697 16.987 ( 0.937 4.701 -11.475) 12.436 17.265 ( 4.947 2.561 1.564) 5.786 18.233 ( -1.539 -2.155 -2.434) 3.597 18.611 ( -3.117 -0.972 9.659) 10.196 18.745 ( 2.783 3.500 10.600) 11.505 19.628 ( -3.629 -12.917 1.738) 13.529 20.152 ( 1.581 6.840 -2.930) 7.607 20.393 ( 1.031 0.922 -1.897) 2.348 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -16.099 -22.016 10.830) 29.346 2.767 ( -18.824 -7.248 8.114) 21.742 3.453 ( -1.044 -5.753 -13.585) 14.790 3.564 ( -0.060 0.777 -4.268) 4.339 3.802 ( 2.253 -0.583 6.639) 7.035 3.935 ( -3.288 -5.150 6.002) 8.565 4.087 ( -2.881 -2.413 7.716) 8.582 4.245 ( 6.577 0.097 -5.335) 8.469 4.547 ( -9.324 6.171 -6.804) 13.089 4.602 ( -1.974 6.329 -3.040) 7.293 4.717 ( -2.688 6.580 9.534) 11.892 4.792 ( 1.547 -2.739 -3.970) 5.065 4.967 ( 5.852 0.232 1.920) 6.164 5.260 ( 0.691 -8.222 1.580) 8.401 5.592 ( 4.383 4.017 -3.696) 7.000 5.961 ( 7.145 3.879 -6.346) 10.314 6.273 ( 0.240 -0.700 0.009) 0.740 6.503 ( -4.754 6.364 -4.259) 9.014 6.535 ( 10.840 2.195 -0.533) 11.073 6.595 ( 4.902 2.581 1.213) 5.671 7.015 ( -0.308 5.117 5.651) 7.630 7.640 ( -0.899 -9.499 0.891) 9.583 8.026 ( -0.927 6.913 -4.647) 8.381 8.360 ( 2.523 -0.090 2.265) 3.392 8.512 ( -0.961 -0.562 -8.343) 8.417 8.875 ( 1.197 2.378 -11.314) 11.623 9.459 ( -1.354 -3.247 2.070) 4.082 9.835 ( 3.586 0.735 -4.275) 5.628 9.895 ( 1.964 2.540 -4.905) 5.863 10.293 ( -3.290 1.103 -0.498) 3.506 10.339 ( -0.121 2.676 4.129) 4.922 10.360 ( -0.371 -0.318 0.282) 0.564 10.611 ( 7.872 0.981 4.102) 8.930 11.306 ( -0.268 3.456 1.739) 3.878 11.558 ( 8.176 4.274 -1.227) 9.307 11.599 ( 2.274 2.365 4.519) 5.585 12.003 ( -7.288 -0.323 1.189) 7.392 12.188 ( -1.696 -1.172 -0.041) 2.062 12.268 ( -6.650 -11.321 1.559) 13.221 12.736 ( -7.446 -1.789 1.478) 7.799 12.888 ( 9.224 -10.331 2.245) 14.030 13.152 ( -7.575 4.213 0.551) 8.685 13.296 ( 1.189 1.098 3.800) 4.131 13.983 ( 13.569 7.740 -9.227) 18.143 14.718 ( -6.387 5.548 3.959) 9.340 15.711 ( -7.839 -6.925 3.441) 11.011 16.184 ( 7.550 -13.147 -2.558) 15.375 16.482 ( 4.785 4.532 -0.599) 6.618 16.643 ( -10.374 6.717 -7.707) 14.565 17.029 ( 5.031 6.993 0.903) 8.662 17.345 ( 7.475 3.095 -3.758) 8.921 18.185 ( -2.935 -1.918 0.626) 3.562 18.653 ( -6.454 -3.747 8.318) 11.176 18.905 ( 1.604 0.929 5.699) 5.993 19.557 ( -0.442 -10.490 5.659) 11.927 20.133 ( -0.602 5.852 -7.858) 9.816 20.399 ( 1.699 1.276 -1.097) 2.391 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -19.399 -14.620 17.959) 30.209 2.638 ( -18.006 -6.378 16.310) 25.118 3.163 ( -0.225 -7.762 -15.385) 17.233 3.532 ( 3.901 1.932 -9.136) 10.120 3.823 ( 0.066 -4.814 -4.330) 6.475 3.951 ( -2.680 1.278 -1.978) 3.567 4.031 ( -1.555 -6.596 1.209) 6.884 4.247 ( 3.504 -3.922 -1.226) 5.400 4.365 ( -10.409 0.104 -2.222) 10.644 4.613 ( -6.863 8.798 4.524) 12.040 4.642 ( -6.357 -0.215 1.246) 6.482 4.961 ( 3.696 6.681 8.459) 11.396 5.115 ( 2.568 3.891 5.275) 7.040 5.302 ( 6.608 -4.460 -0.169) 7.974 5.640 ( 9.162 -1.347 -0.821) 9.297 6.016 ( 10.307 0.730 -6.191) 12.046 6.220 ( -3.996 1.626 -5.702) 7.150 6.442 ( -2.181 4.329 0.448) 4.868 6.674 ( 9.753 -0.172 -0.467) 9.766 6.728 ( 3.895 3.680 1.926) 5.694 7.122 ( 1.563 7.026 3.894) 8.183 7.565 ( 0.835 -4.405 -2.255) 5.019 8.027 ( -0.821 7.091 -2.338) 7.512 8.390 ( 2.164 -7.607 0.688) 7.938 8.422 ( -2.750 6.005 -4.098) 7.773 8.782 ( 2.389 1.078 -6.412) 6.927 9.463 ( -1.928 -1.792 3.724) 4.561 9.845 ( 3.357 2.581 -3.072) 5.231 9.876 ( 2.907 1.969 -4.115) 5.410 10.232 ( -4.184 -0.900 -0.897) 4.373 10.361 ( 4.274 -2.215 -1.674) 5.097 10.422 ( -0.939 4.416 4.252) 6.202 10.760 ( 6.536 3.290 1.151) 7.407 11.356 ( 1.263 0.959 2.060) 2.599 11.654 ( 3.818 2.052 -3.027) 5.287 11.734 ( 5.603 2.368 6.103) 8.617 11.928 ( -4.449 0.064 -0.390) 4.467 12.043 ( -8.968 -8.330 3.111) 12.629 12.241 ( 1.238 -0.819 -0.073) 1.486 12.598 ( -7.846 -2.099 -4.172) 9.131 12.883 ( -1.629 -3.669 -2.988) 5.005 13.176 ( -1.345 -3.009 10.885) 11.373 13.393 ( 4.334 1.941 2.576) 5.402 14.024 ( 3.905 7.620 -10.807) 13.788 14.797 ( 1.488 2.161 9.328) 9.690 15.659 ( -1.614 -0.727 2.957) 3.446 16.098 ( 5.653 -15.305 -6.794) 17.673 16.251 ( -14.719 2.671 -13.496) 20.148 16.812 ( 10.836 7.020 9.895) 16.267 17.140 ( -2.328 10.405 2.091) 10.865 17.420 ( 10.698 2.097 -5.294) 12.119 18.121 ( -5.271 -3.106 0.190) 6.121 18.619 ( -9.132 -6.144 7.193) 13.149 18.968 ( 2.137 -0.272 1.354) 2.544 19.587 ( 1.189 -10.064 6.301) 11.933 20.022 ( -3.168 6.160 -10.259) 12.379 20.426 ( 1.864 1.700 -0.004) 2.523 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 7.562 -19.165 2.593) 20.765 3.130 ( 18.655 1.072 -0.547) 18.694 3.315 ( -11.783 -1.916 0.624) 11.954 3.609 ( 7.218 -12.262 11.377) 18.218 3.682 ( 2.577 -1.374 11.539) 11.903 3.839 ( -5.001 -0.611 9.708) 10.938 4.101 ( 12.024 -6.352 -6.482) 15.065 4.247 ( -6.338 9.450 2.945) 11.753 4.349 ( -6.886 -5.700 -1.476) 9.060 4.633 ( 1.278 7.859 -3.028) 8.518 4.713 ( 5.238 -4.393 -6.287) 9.287 4.807 ( -2.034 7.348 -1.862) 7.849 5.123 ( -0.614 -1.161 -0.275) 1.342 5.449 ( -1.687 5.191 -2.024) 5.821 5.733 ( 5.072 -3.642 -10.195) 11.955 5.761 ( -8.423 4.527 -8.780) 12.982 6.218 ( -1.446 -3.738 6.161) 7.350 6.327 ( -1.987 1.850 -2.829) 3.921 6.472 ( -1.866 4.874 -2.386) 5.738 6.716 ( -8.547 10.479 1.081) 13.565 6.856 ( 4.961 3.023 7.507) 9.492 7.804 ( -6.341 -10.356 -2.973) 12.501 7.975 ( 11.549 4.881 1.551) 12.634 8.310 ( -5.448 3.461 -0.213) 6.458 8.640 ( 1.403 -8.174 -11.747) 14.380 8.951 ( 0.436 0.277 -9.273) 9.287 9.617 ( 0.371 7.153 -1.204) 7.263 9.847 ( -1.840 -1.686 -2.362) 3.436 9.897 ( -0.718 2.152 -3.618) 4.271 10.170 ( -1.940 -5.973 2.787) 6.870 10.284 ( 2.656 -1.664 2.286) 3.880 10.380 ( 1.032 1.635 -3.000) 3.570 10.540 ( -4.859 3.296 3.296) 6.733 11.256 ( 3.216 3.498 -0.068) 4.752 11.446 ( -8.296 5.945 -1.257) 10.283 11.556 ( -1.016 4.583 1.570) 4.950 11.998 ( 6.812 -5.548 4.502) 9.871 12.190 ( -2.450 1.447 1.746) 3.339 12.519 ( 10.014 -7.716 2.901) 12.971 12.614 ( -2.895 -9.001 4.193) 10.343 12.938 ( -2.727 -1.255 1.676) 3.438 13.217 ( -1.476 2.949 -3.321) 4.680 13.267 ( 5.131 -1.000 0.693) 5.274 13.882 ( -10.024 9.487 -5.220) 14.756 14.654 ( 4.806 3.032 0.541) 5.708 15.838 ( 8.914 -10.383 4.376) 14.367 16.194 ( -6.845 -2.984 4.842) 8.899 16.436 ( -3.412 -1.185 -1.945) 4.103 16.717 ( 5.142 3.030 -9.869) 11.533 17.021 ( -0.286 7.046 -5.561) 8.981 17.290 ( -6.507 4.371 -1.344) 7.953 18.234 ( 1.538 -2.251 -3.376) 4.339 18.644 ( 3.458 1.608 9.963) 10.667 18.707 ( -2.891 0.728 11.766) 12.137 19.645 ( 2.831 -11.974 2.444) 12.544 20.133 ( -0.681 5.623 -4.502) 7.235 20.396 ( -1.163 1.218 -1.555) 2.292 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -2.737 -18.299 8.541) 20.379 3.149 ( -11.051 -2.925 2.754) 11.759 3.339 ( 10.619 2.546 -3.384) 11.432 3.635 ( -4.378 -17.033 -8.952) 19.734 3.752 ( 5.579 -10.924 7.087) 14.166 3.888 ( 5.645 -7.346 7.744) 12.075 4.085 ( -4.499 2.310 2.619) 5.695 4.276 ( 5.008 -6.664 -2.834) 8.805 4.354 ( 4.767 3.484 4.904) 7.675 4.646 ( 3.101 -3.103 -4.607) 6.361 4.745 ( -0.982 15.279 -1.402) 15.375 4.848 ( -4.562 11.796 4.805) 13.529 5.058 ( -8.072 2.439 -1.876) 8.639 5.339 ( -2.192 -5.000 -6.153) 8.226 5.521 ( -3.806 3.866 -2.328) 5.904 5.840 ( 6.532 7.278 -5.973) 11.459 6.249 ( 1.789 -6.130 3.156) 7.123 6.312 ( 1.474 1.630 -1.055) 2.438 6.482 ( 1.022 10.988 -1.780) 11.178 6.673 ( -5.601 7.980 -3.759) 10.449 7.042 ( 0.453 2.256 8.576) 8.879 7.650 ( -0.402 -10.684 -0.318) 10.696 8.104 ( -1.572 1.182 -1.895) 2.731 8.262 ( 0.859 2.453 0.060) 2.600 8.476 ( 3.541 -2.982 -8.183) 9.402 8.841 ( 1.088 3.713 -11.647) 12.272 9.541 ( -5.071 1.480 -3.953) 6.598 9.791 ( -0.215 -0.053 -2.282) 2.293 9.860 ( 0.368 2.045 -4.825) 5.253 10.250 ( 4.602 -3.271 6.516) 8.622 10.334 ( 2.836 -0.404 0.156) 2.869 10.395 ( 0.117 1.128 2.401) 2.655 10.541 ( -4.797 3.145 3.558) 6.750 11.351 ( 5.688 4.671 -0.779) 7.401 11.386 ( -5.145 6.434 0.218) 8.241 11.607 ( -1.530 5.382 2.694) 6.210 12.076 ( 4.248 -4.734 0.755) 6.405 12.176 ( -3.269 1.008 1.466) 3.721 12.512 ( -6.956 -13.453 2.214) 15.306 12.623 ( 9.584 -10.994 4.271) 15.197 12.899 ( -3.854 -4.250 1.856) 6.030 13.189 ( -1.299 5.719 -2.002) 6.197 13.361 ( 2.374 1.846 5.131) 5.947 13.774 ( -1.991 8.584 -8.581) 12.300 14.770 ( 2.643 8.956 0.824) 9.374 15.878 ( 1.481 -14.326 3.055) 14.723 16.094 ( -5.548 -6.786 2.155) 9.027 16.341 ( 3.553 -3.652 -4.989) 7.131 16.831 ( 8.673 10.208 0.231) 13.397 16.943 ( -9.637 11.377 -7.131) 16.527 17.233 ( 0.622 1.469 -3.176) 3.554 18.215 ( 0.382 -2.744 0.928) 2.922 18.784 ( -3.340 0.329 8.549) 9.184 18.852 ( 2.768 -0.199 8.118) 8.579 19.581 ( -1.379 -12.919 3.419) 13.435 20.111 ( 2.115 4.989 -7.132) 8.957 20.380 ( -0.395 1.998 -1.019) 2.277 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -8.786 -14.503 15.000) 22.639 3.035 ( -11.978 -5.888 6.252) 14.738 3.221 ( -3.637 -10.122 -14.935) 18.405 3.414 ( 5.855 -4.247 -9.046) 11.582 3.812 ( 5.418 -13.825 5.552) 15.853 3.956 ( -4.740 -5.131 3.916) 8.008 4.093 ( 3.859 -0.557 -1.253) 4.095 4.218 ( -5.756 -2.329 -0.480) 6.228 4.442 ( 0.574 -6.191 -5.628) 8.387 4.570 ( 9.460 0.127 -4.846) 10.630 4.826 ( -3.563 15.352 0.027) 15.760 4.956 ( -5.060 13.424 8.377) 16.613 5.065 ( 0.174 7.935 2.523) 8.328 5.293 ( -1.796 -4.577 6.027) 7.778 5.474 ( 2.577 0.012 -5.413) 5.995 5.851 ( 1.504 4.632 -4.762) 6.811 6.253 ( 1.281 -2.830 -0.167) 3.111 6.390 ( 9.007 0.372 0.971) 9.067 6.585 ( -3.886 11.527 -3.004) 12.530 6.624 ( 1.205 6.779 1.608) 7.070 7.108 ( -0.526 -1.191 3.023) 3.291 7.599 ( -1.557 -5.712 0.402) 5.934 8.006 ( -0.120 -0.233 -3.672) 3.681 8.317 ( 2.777 -1.051 -1.795) 3.470 8.476 ( 1.100 4.341 2.270) 5.021 8.719 ( 0.887 4.058 -11.908) 12.611 9.490 ( -1.151 0.441 1.420) 1.880 9.778 ( 0.696 0.726 -0.723) 1.238 9.828 ( 1.843 1.840 -3.422) 4.300 10.301 ( -0.695 -0.376 -1.995) 2.146 10.382 ( 0.326 0.738 1.248) 1.486 10.391 ( -0.558 -0.832 1.338) 1.671 10.625 ( 2.852 4.779 5.243) 7.646 11.351 ( -1.418 2.236 -0.736) 2.748 11.506 ( 6.012 8.451 1.481) 10.476 11.664 ( -0.365 3.232 2.835) 4.315 12.032 ( -2.313 -4.544 -2.655) 5.748 12.191 ( 0.600 0.689 1.290) 1.580 12.322 ( -9.020 -13.441 1.427) 16.250 12.717 ( 9.301 -11.655 3.476) 15.311 12.799 ( -7.260 -5.081 -1.444) 8.978 13.230 ( 0.667 8.984 0.437) 9.019 13.466 ( -5.964 2.166 10.223) 12.033 13.748 ( 9.943 6.900 -10.649) 16.121 14.847 ( -1.204 7.968 -0.131) 8.060 15.768 ( -4.800 -10.369 0.895) 11.462 16.002 ( -0.688 -12.161 -0.219) 12.182 16.422 ( 10.107 2.418 1.321) 10.476 16.714 ( -11.225 4.267 -8.280) 14.587 17.075 ( 6.328 11.733 4.343) 14.021 17.242 ( 3.314 5.411 -3.779) 7.385 18.203 ( -1.186 -3.945 0.908) 4.218 18.817 ( -5.732 -1.802 6.164) 8.608 18.922 ( 1.450 -4.380 0.865) 4.694 19.578 ( -0.332 -8.108 9.425) 12.437 20.045 ( 0.950 3.126 -10.323) 10.828 20.390 ( 0.688 2.509 -0.264) 2.615 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -9.584 -14.916 1.755) 17.816 2.886 ( -5.045 -7.720 3.364) 9.816 3.068 ( -7.385 -3.308 7.673) 11.151 3.308 ( 2.723 -5.655 -8.592) 10.640 3.831 ( -6.126 -6.931 3.342) 9.836 3.845 ( 2.114 -7.222 -2.677) 7.987 3.956 ( -6.993 2.074 -13.388) 15.246 4.172 ( 3.148 -6.380 0.437) 7.128 4.366 ( 0.656 -3.282 -0.820) 3.446 4.669 ( 5.489 4.345 1.795) 7.227 4.900 ( -5.998 13.281 3.763) 15.051 5.049 ( 9.672 -5.161 -11.912) 16.189 5.167 ( -0.461 7.523 10.527) 12.947 5.313 ( -7.702 1.067 8.193) 11.296 5.528 ( 6.205 1.672 2.126) 6.769 5.869 ( 4.573 3.543 -1.884) 6.084 6.219 ( -2.941 0.599 -3.288) 4.452 6.534 ( 5.567 -0.848 2.714) 6.251 6.548 ( -0.688 8.260 -1.503) 8.424 6.733 ( 1.570 2.817 0.742) 3.309 7.163 ( 4.326 1.450 1.641) 4.849 7.547 ( -2.172 3.664 0.765) 4.327 8.013 ( 4.516 -0.989 -1.762) 4.947 8.282 ( 0.396 -3.776 -2.180) 4.378 8.510 ( -6.533 6.618 -2.046) 9.522 8.675 ( 5.908 -0.053 -0.650) 5.944 9.533 ( -0.334 1.495 4.511) 4.764 9.790 ( 2.224 -0.413 -0.352) 2.290 9.860 ( 1.686 4.435 1.110) 4.873 10.218 ( -2.131 -2.638 -4.836) 5.907 10.312 ( -2.453 -1.333 -1.921) 3.389 10.506 ( 3.171 6.417 3.021) 7.769 10.749 ( 2.270 4.904 1.452) 5.596 11.346 ( 1.265 0.194 -1.085) 1.678 11.642 ( 0.669 7.293 -0.227) 7.327 11.734 ( 4.908 -0.203 3.000) 5.756 11.927 ( -1.480 -4.893 -1.956) 5.474 12.117 ( -7.097 -10.128 1.505) 12.458 12.261 ( 0.441 2.744 2.168) 3.525 12.604 ( -8.432 -4.323 -6.041) 11.237 12.766 ( 5.267 -9.412 0.627) 10.803 13.326 ( 0.200 9.608 1.473) 9.723 13.493 ( -8.719 -0.177 6.967) 11.162 13.844 ( 12.997 5.946 -5.293) 15.241 14.868 ( 0.866 1.417 -0.537) 1.746 15.678 ( -1.472 -2.055 -1.370) 2.875 15.917 ( 0.051 -13.692 3.650) 14.170 16.342 ( -16.563 3.843 -7.444) 18.561 16.777 ( 15.577 2.325 6.292) 16.960 17.233 ( 8.611 4.182 -6.537) 11.592 17.319 ( -2.235 13.505 4.932) 14.550 18.137 ( -3.168 -5.416 -1.096) 6.370 18.780 ( -7.552 -3.453 4.017) 9.225 18.904 ( 4.188 -5.352 -1.158) 6.893 19.613 ( -6.026 -5.774 3.309) 8.978 19.950 ( 2.621 1.902 -5.498) 6.381 20.424 ( 1.390 2.394 0.293) 2.784 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 17.267 -18.151 9.839) 26.915 2.881 ( 23.710 -2.050 6.317) 24.623 3.430 ( -10.382 0.710 -6.020) 12.022 3.549 ( 6.520 -6.275 -7.411) 11.697 3.711 ( -1.903 -10.775 8.547) 13.884 3.812 ( -0.736 -4.859 1.546) 5.152 4.087 ( 4.732 -0.734 5.631) 7.392 4.222 ( -1.133 -10.383 -7.742) 13.001 4.333 ( -5.452 0.425 -0.540) 5.495 4.622 ( 8.145 1.784 5.587) 10.037 4.695 ( 3.750 9.321 -1.799) 10.207 4.880 ( -0.493 4.777 -1.261) 4.965 5.190 ( -3.303 9.526 6.105) 11.787 5.471 ( -5.100 0.787 -6.420) 8.236 5.541 ( 4.866 2.944 -2.380) 6.165 5.844 ( -13.811 1.397 -6.301) 15.245 6.248 ( 0.377 -4.924 1.021) 5.042 6.397 ( -5.998 4.646 1.129) 7.671 6.497 ( -2.535 3.197 -0.635) 4.129 6.773 ( -0.258 6.447 -3.702) 7.439 7.020 ( -1.636 6.594 6.736) 9.567 7.752 ( -6.578 -8.336 -7.699) 13.116 7.896 ( 10.230 3.474 4.350) 11.647 8.364 ( 1.641 -0.380 -2.112) 2.701 8.464 ( -5.837 -3.067 -5.684) 8.706 8.821 ( -0.207 -0.475 -9.385) 9.399 9.618 ( 2.800 5.832 -2.521) 6.943 9.818 ( -1.899 -0.212 -3.889) 4.333 9.885 ( -2.947 3.300 -4.178) 6.085 10.182 ( -0.746 -6.970 2.615) 7.482 10.276 ( -0.161 -1.850 2.616) 3.208 10.413 ( -1.387 5.685 1.636) 6.076 10.686 ( -5.188 4.048 2.926) 7.202 11.268 ( -0.244 1.799 1.765) 2.532 11.579 ( -8.106 4.523 -0.396) 9.291 11.640 ( -1.386 5.911 2.400) 6.529 11.929 ( 6.008 -4.746 3.409) 8.381 12.208 ( 4.369 -0.841 0.554) 4.484 12.356 ( 6.571 -5.411 -0.855) 8.555 12.611 ( 1.255 -9.747 4.032) 10.622 12.889 ( 3.887 -8.345 -2.612) 9.570 13.250 ( -2.851 6.362 2.696) 7.474 13.333 ( -1.721 6.730 4.958) 8.534 13.960 ( -9.011 3.911 -11.544) 15.158 14.649 ( 4.410 2.872 7.046) 8.794 15.709 ( 7.528 -7.212 2.887) 10.818 16.299 ( 0.092 -8.796 -10.828) 13.951 16.367 ( -11.620 -7.080 3.602) 14.075 16.627 ( 7.315 14.499 -1.996) 16.362 17.031 ( 0.085 5.079 -0.853) 5.151 17.385 ( -9.629 5.691 -4.484) 12.051 18.170 ( 3.101 -3.294 0.517) 4.553 18.705 ( 7.375 0.009 8.846) 11.517 18.875 ( -2.711 -0.182 5.711) 6.325 19.606 ( 0.139 -8.925 7.412) 11.602 20.060 ( 0.984 1.904 -9.786) 10.018 20.409 ( -1.530 1.918 -1.181) 2.723 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 6.391 -15.369 13.016) 21.130 3.140 ( 8.969 -4.374 -7.772) 12.649 3.252 ( 0.542 -0.314 -2.239) 2.325 3.324 ( -1.637 -15.728 -11.488) 19.546 3.734 ( -2.157 -11.632 11.106) 16.226 3.860 ( 4.019 -5.627 3.779) 7.880 4.091 ( 6.757 -8.069 -2.175) 10.747 4.255 ( 9.705 1.348 4.543) 10.800 4.292 ( -6.621 1.102 2.907) 7.314 4.664 ( -5.350 5.273 -4.072) 8.544 4.852 ( -0.170 7.386 -7.557) 10.569 4.929 ( 3.325 8.147 7.099) 11.306 5.193 ( -8.992 1.081 -5.430) 10.560 5.299 ( -0.920 4.479 2.269) 5.105 5.533 ( -2.346 -0.070 -4.024) 4.658 5.801 ( 2.440 9.551 -0.212) 9.860 6.214 ( -0.394 -7.442 1.121) 7.536 6.378 ( -6.754 4.379 2.245) 8.357 6.530 ( 1.809 9.666 -0.465) 9.845 6.733 ( -2.542 6.023 -4.332) 7.842 7.129 ( -0.568 1.918 2.660) 3.328 7.569 ( 0.132 -7.582 -0.863) 7.632 8.049 ( 3.354 0.115 -2.704) 4.309 8.302 ( -1.742 -0.308 -0.421) 1.818 8.393 ( -0.406 1.026 2.759) 2.972 8.721 ( 0.580 4.737 -8.760) 9.975 9.551 ( -3.453 1.414 -4.166) 5.592 9.788 ( -0.585 1.419 -0.838) 1.749 9.830 ( -2.038 2.749 -3.371) 4.804 10.228 ( 4.262 -4.172 3.976) 7.168 10.313 ( 2.445 -2.051 2.818) 4.258 10.445 ( -2.051 4.160 0.251) 4.645 10.669 ( -4.876 3.471 1.453) 6.159 11.330 ( 2.710 3.555 0.995) 4.580 11.514 ( -6.565 5.928 0.425) 8.855 11.701 ( -1.242 6.788 1.085) 6.985 11.995 ( 4.268 -4.867 0.880) 6.533 12.217 ( -1.487 0.739 -0.959) 1.918 12.368 ( 7.393 -13.245 -2.431) 15.362 12.590 ( -1.240 -11.962 6.604) 13.720 12.884 ( 3.661 -4.271 0.284) 5.633 13.232 ( -2.858 5.031 -1.103) 5.890 13.457 ( -1.427 4.044 6.018) 7.390 13.772 ( -4.638 7.275 -7.887) 11.690 14.815 ( 2.812 8.405 2.196) 9.131 15.753 ( 4.674 -10.737 1.203) 11.771 16.157 ( 6.838 -6.413 -5.522) 10.880 16.199 ( -10.841 -9.217 3.710) 14.706 16.803 ( 5.533 13.942 -3.347) 15.368 17.097 ( -2.521 11.499 2.302) 11.996 17.217 ( -7.043 1.504 -4.804) 8.657 18.192 ( 1.933 -4.570 1.538) 5.195 18.865 ( 2.778 -4.803 1.802) 5.834 18.901 ( -0.009 1.230 4.100) 4.280 19.610 ( -2.433 -9.868 9.022) 13.590 19.990 ( 3.130 3.031 -8.760) 9.784 20.396 ( -1.025 2.566 -0.709) 2.853 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.796 -23.438 -6.738) 24.400 2.954 ( -1.023 -11.082 -13.952) 17.847 3.077 ( 3.856 -6.253 5.532) 9.196 3.368 ( -3.419 1.191 7.863) 8.657 3.759 ( -1.003 -9.272 7.862) 12.198 3.919 ( 5.357 -7.915 3.691) 10.245 4.141 ( -3.177 1.115 -2.579) 4.241 4.274 ( -3.180 -3.401 7.225) 8.596 4.322 ( -2.039 -2.412 -7.843) 8.455 4.519 ( -1.615 3.830 0.670) 4.210 4.845 ( 8.730 -0.238 -11.043) 14.079 4.945 ( -3.956 8.568 -6.515) 11.467 5.173 ( 1.570 2.151 -1.977) 3.316 5.354 ( 5.324 -3.213 5.292) 8.166 5.519 ( -5.422 12.497 4.391) 14.313 5.896 ( -1.935 10.638 1.218) 10.881 6.194 ( 2.470 -6.477 2.248) 7.287 6.369 ( -0.866 2.454 1.448) 2.978 6.649 ( 2.763 11.181 -0.265) 11.521 6.698 ( -2.726 5.830 -1.634) 6.640 7.104 ( -1.041 -0.937 -1.639) 2.156 7.600 ( 2.968 -3.103 3.873) 5.783 7.954 ( -3.667 -1.580 -3.401) 5.245 8.312 ( -2.815 1.068 1.350) 3.299 8.498 ( 7.595 0.142 2.136) 7.890 8.666 ( -4.007 7.424 -2.052) 8.683 9.513 ( 0.942 -0.161 0.474) 1.066 9.788 ( -1.698 0.502 -0.547) 1.853 9.810 ( 0.720 3.816 1.726) 4.249 10.264 ( 0.663 -3.033 -1.092) 3.291 10.378 ( 3.884 1.916 1.307) 4.524 10.407 ( -3.459 0.581 -2.376) 4.236 10.705 ( 0.675 5.754 2.970) 6.510 11.359 ( -0.978 2.782 -2.353) 3.773 11.564 ( 1.711 8.345 3.894) 9.366 11.721 ( -2.062 4.397 -1.062) 4.971 11.971 ( -0.529 -5.723 -2.356) 6.211 12.177 ( 0.023 -5.607 -1.685) 5.855 12.295 ( 0.892 -7.357 -1.059) 7.486 12.604 ( 2.849 -10.942 4.801) 12.284 12.844 ( -6.643 -5.425 0.976) 8.632 13.277 ( 3.654 7.216 -0.016) 8.088 13.500 ( 8.021 1.961 -7.198) 10.954 13.754 ( -8.057 7.347 7.481) 13.223 14.862 ( 0.041 6.962 -6.289) 9.382 15.716 ( 0.428 -7.244 -0.516) 7.275 16.039 ( -9.471 -13.022 7.660) 17.831 16.289 ( 15.540 -0.273 2.896) 15.810 16.788 ( -9.286 8.430 -8.130) 14.947 17.083 ( 0.198 5.430 -3.716) 6.583 17.297 ( 2.937 11.191 6.114) 13.086 18.177 ( 0.041 -5.904 -0.327) 5.913 18.800 ( 2.087 -8.849 -4.909) 10.333 18.943 ( -2.911 0.207 2.221) 3.667 19.701 ( 1.980 -4.675 12.546) 13.534 19.902 ( -1.446 0.719 -9.256) 9.395 20.404 ( 0.006 2.771 -0.121) 2.774 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -1.363 -24.987 -15.986) 29.694 2.706 ( 8.004 -19.560 -14.438) 25.595 3.253 ( -1.795 -0.906 17.318) 17.434 3.445 ( -6.047 4.714 10.710) 13.171 3.762 ( -2.846 -6.737 4.052) 8.361 3.881 ( -5.842 0.373 -12.290) 13.613 3.970 ( -6.892 -1.058 0.592) 6.997 4.144 ( -5.238 -1.126 1.727) 5.629 4.371 ( -4.443 -7.697 2.655) 9.276 4.565 ( 8.981 -7.235 -13.382) 17.666 4.652 ( 9.645 -4.916 -0.580) 10.841 4.994 ( 2.160 9.985 -3.492) 10.797 5.257 ( 8.941 -1.076 3.259) 9.577 5.487 ( 3.062 -0.391 4.407) 5.380 5.615 ( -4.322 17.125 2.220) 17.801 5.954 ( -7.461 12.079 4.482) 14.888 6.199 ( -0.035 -3.503 0.044) 3.503 6.450 ( 6.887 1.692 1.336) 7.216 6.656 ( -3.441 10.141 -3.466) 11.256 6.761 ( 0.146 1.157 2.319) 2.595 7.112 ( 4.190 1.608 -0.611) 4.530 7.665 ( -0.114 2.092 6.497) 6.826 7.889 ( 0.748 -2.241 -3.574) 4.284 8.287 ( -2.811 -0.700 1.607) 3.312 8.539 ( 0.699 2.243 -4.605) 5.170 8.707 ( -2.746 1.394 7.749) 8.339 9.565 ( 5.151 -3.375 2.005) 6.476 9.793 ( -1.141 1.626 3.332) 3.879 9.910 ( 2.274 6.355 4.186) 7.942 10.178 ( -4.267 -2.380 -3.508) 6.015 10.319 ( -3.350 1.079 -2.791) 4.492 10.511 ( 7.080 7.392 0.629) 10.254 10.789 ( 0.325 4.731 0.317) 4.753 11.326 ( -0.831 2.527 -2.417) 3.594 11.701 ( -0.524 1.481 -2.545) 2.990 11.715 ( 1.028 7.293 2.876) 7.907 11.863 ( 0.048 -6.403 -2.191) 6.767 12.084 ( 0.042 -9.604 -2.074) 9.825 12.304 ( 0.992 1.802 2.387) 3.151 12.565 ( -2.229 -6.729 -4.091) 8.185 12.716 ( -5.256 -9.034 2.951) 10.861 13.384 ( 2.465 8.491 0.063) 8.842 13.515 ( 7.842 3.604 -11.482) 14.364 13.841 ( -3.877 -0.728 14.129) 14.669 14.792 ( 1.157 4.553 -9.714) 10.790 15.642 ( -1.702 -3.891 -3.505) 5.507 15.999 ( -5.898 -10.087 14.660) 18.747 16.496 ( -7.598 4.766 -0.625) 8.991 16.652 ( 10.450 2.213 0.169) 10.683 17.094 ( 4.340 4.071 -5.471) 8.084 17.502 ( 0.890 12.728 5.337) 13.830 18.101 ( -1.524 -6.866 -1.404) 7.172 18.695 ( 4.765 -9.113 -6.735) 12.293 18.917 ( -3.758 0.158 1.389) 4.010 19.695 ( -9.842 -2.056 -9.824) 14.057 19.892 ( 5.162 -1.717 11.125) 12.384 20.432 ( 0.849 2.303 0.440) 2.494 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 0.000 0.000 2.708) 2.708 3.201 ( 0.000 0.000 -2.349) 2.349 3.201 ( 0.000 -0.000 -2.349) 2.349 3.800 ( 0.000 0.000 14.692) 14.692 3.800 ( 0.000 0.000 14.692) 14.692 3.929 ( 0.000 0.000 12.262) 12.262 4.083 ( 0.000 0.000 10.513) 10.513 4.083 ( -0.000 0.000 10.513) 10.513 4.516 ( -0.000 -0.000 -15.435) 15.435 4.527 ( 0.000 -0.000 -7.067) 7.067 4.527 ( -0.000 -0.000 -7.067) 7.067 4.951 ( -0.000 -0.000 -5.868) 5.868 5.227 ( 0.000 0.000 -2.553) 2.553 5.227 ( -0.000 -0.000 -2.553) 2.553 5.717 ( 0.000 -0.000 -13.234) 13.234 5.717 ( -0.000 -0.000 -13.234) 13.234 6.260 ( 0.000 0.000 8.611) 8.611 6.330 ( 0.000 -0.000 -4.122) 4.122 6.330 ( 0.000 -0.000 -4.122) 4.122 6.528 ( 0.000 0.000 7.068) 7.068 6.875 ( 0.000 0.000 6.342) 6.342 7.970 ( 0.000 0.000 -0.102) 0.102 7.970 ( -0.000 -0.000 -0.102) 0.102 8.177 ( 0.000 0.000 0.319) 0.319 8.843 ( 0.000 -0.000 -13.028) 13.028 8.843 ( -0.000 -0.000 -13.028) 13.028 9.537 ( 0.000 0.000 0.014) 0.014 9.866 ( 0.000 -0.000 -3.147) 3.147 9.866 ( -0.000 -0.000 -3.147) 3.147 10.278 ( 0.000 0.000 6.503) 6.503 10.278 ( 0.000 0.000 6.503) 6.503 10.377 ( -0.000 -0.000 -5.948) 5.948 10.469 ( -0.000 -0.000 -3.101) 3.101 11.264 ( 0.000 0.000 0.046) 0.046 11.264 ( -0.000 0.000 0.046) 0.046 11.498 ( 0.000 0.000 0.632) 0.632 12.138 ( 0.000 0.000 3.144) 3.144 12.138 ( 0.000 0.000 3.144) 3.144 12.739 ( 0.000 -0.000 7.693) 7.693 12.739 ( 0.000 0.000 7.693) 7.693 12.821 ( -0.000 -0.000 -1.445) 1.445 13.143 ( -0.000 -0.000 -3.290) 3.290 13.534 ( 0.000 -0.000 -4.211) 4.211 13.534 ( 0.000 0.000 -4.211) 4.211 14.628 ( 0.000 0.000 0.362) 0.362 16.159 ( 0.000 0.000 4.424) 4.424 16.159 ( -0.000 0.000 4.424) 4.424 16.316 ( 0.000 0.000 4.329) 4.329 16.825 ( -0.000 -0.000 -13.351) 13.351 16.825 ( -0.000 -0.000 -13.351) 13.351 17.203 ( 0.000 0.000 3.506) 3.506 18.275 ( -0.000 -0.000 -4.280) 4.280 18.661 ( 0.000 0.000 12.463) 12.463 18.661 ( 0.000 0.000 12.463) 12.463 19.933 ( 0.000 -0.000 -1.008) 1.008 19.933 ( 0.000 -0.000 -1.008) 1.008 20.374 ( -0.000 -0.000 -2.286) 2.286 ======================= Grid point 231 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -5.031 -14.011 4.173) 15.461 3.070 ( -11.362 0.212 2.443) 11.624 3.292 ( 5.462 6.142 -3.256) 8.841 3.821 ( -8.756 -7.781 4.547) 12.565 3.940 ( -11.116 -5.706 8.054) 14.865 4.062 ( -3.780 3.941 11.406) 12.646 4.120 ( -1.802 -1.669 -2.690) 3.643 4.191 ( 0.357 -3.940 7.905) 8.839 4.431 ( -6.381 11.739 -4.366) 14.056 4.468 ( 9.879 3.214 -0.679) 10.411 4.599 ( 11.425 -3.281 -1.023) 11.931 4.793 ( -8.069 1.565 -1.162) 8.301 5.086 ( 3.294 -10.144 -6.783) 12.640 5.322 ( 7.082 10.692 -6.215) 14.251 5.515 ( 1.256 -11.431 -3.738) 12.092 5.694 ( 2.761 11.774 -7.831) 14.408 6.287 ( 0.993 4.204 -1.491) 4.570 6.311 ( -0.491 0.319 1.650) 1.751 6.372 ( 6.586 1.196 -1.263) 6.812 6.561 ( 4.018 0.062 -5.298) 6.649 7.008 ( -2.096 -0.864 13.250) 13.442 7.918 ( -0.503 -8.916 3.240) 9.500 7.941 ( -8.781 3.053 -2.224) 9.559 8.251 ( 7.567 4.052 0.344) 8.590 8.562 ( -5.076 -1.100 -13.205) 14.190 8.754 ( 4.994 3.018 -14.094) 15.254 9.528 ( 1.284 -1.527 -1.386) 2.429 9.803 ( 0.314 -0.259 -4.432) 4.450 9.827 ( 0.906 1.461 -4.153) 4.494 10.313 ( -0.825 -0.915 -0.401) 1.295 10.331 ( -3.589 0.522 6.108) 7.103 10.373 ( -2.238 0.487 3.314) 4.028 10.506 ( 6.497 0.649 2.199) 6.890 11.249 ( -0.719 0.693 1.516) 1.815 11.345 ( 7.376 3.277 -1.002) 8.134 11.531 ( 2.436 1.049 1.577) 3.086 12.121 ( -5.562 -1.422 2.421) 6.231 12.186 ( 1.672 -0.455 0.785) 1.902 12.661 ( -10.621 -9.303 3.777) 14.616 12.815 ( -6.846 5.060 5.553) 10.164 12.931 ( 7.014 -2.505 4.418) 8.659 13.128 ( 2.511 -0.978 -2.335) 3.566 13.327 ( -7.827 -0.554 -1.448) 7.979 13.654 ( 13.153 5.703 -7.377) 16.123 14.650 ( 0.504 1.457 1.145) 1.920 16.040 ( -14.023 -6.990 4.199) 16.221 16.285 ( 5.442 -0.669 6.790) 8.727 16.409 ( 2.552 0.459 -1.257) 2.881 16.579 ( -6.902 2.555 -10.637) 12.935 16.812 ( 11.205 3.424 -6.650) 13.472 17.223 ( 2.596 1.379 -3.116) 4.283 18.247 ( -1.513 -0.775 1.369) 2.182 18.779 ( -2.347 -2.516 10.088) 10.659 18.849 ( 1.358 1.867 9.678) 9.949 19.787 ( -6.093 -4.920 0.651) 7.858 20.002 ( 3.491 3.613 -5.654) 7.563 20.357 ( 1.230 0.563 -1.683) 2.160 ======================= Grid point 232 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -14.736 -15.291 11.282) 24.047 2.972 ( -11.057 -4.928 8.309) 14.683 3.286 ( 0.867 1.400 -11.430) 11.548 3.528 ( -9.987 -6.566 -9.085) 15.013 3.894 ( -6.107 -1.676 3.027) 7.019 4.028 ( -6.486 1.324 5.404) 8.546 4.161 ( -8.481 -3.219 -1.016) 9.128 4.264 ( 0.923 0.752 3.262) 3.473 4.412 ( -3.305 10.340 5.068) 11.980 4.446 ( 2.961 -2.480 -8.524) 9.358 4.743 ( 6.755 4.253 4.258) 9.047 4.817 ( -0.897 -4.995 0.208) 5.079 5.063 ( 12.122 -7.063 2.802) 14.306 5.394 ( 3.310 9.118 -2.694) 10.067 5.443 ( 2.346 -5.410 -2.774) 6.517 5.760 ( 7.275 9.841 -3.870) 12.835 6.285 ( -1.944 -0.599 -0.702) 2.151 6.372 ( 0.331 2.406 -1.789) 3.016 6.453 ( 8.302 6.339 0.872) 10.481 6.581 ( 9.830 0.310 -2.786) 10.221 7.103 ( -3.671 -2.299 7.229) 8.428 7.758 ( -6.532 -5.147 -5.571) 10.010 7.931 ( -1.984 -0.267 3.971) 4.447 8.365 ( -3.858 2.090 -4.987) 6.642 8.413 ( 7.418 2.293 2.296) 8.097 8.656 ( 4.211 3.429 -12.011) 13.181 9.519 ( 2.099 -2.127 -1.210) 3.224 9.771 ( 1.480 0.556 -1.890) 2.464 9.807 ( 1.507 1.878 -3.176) 3.985 10.289 ( -2.298 -0.177 0.578) 2.376 10.368 ( -3.611 1.485 4.183) 5.722 10.378 ( 0.245 -1.019 1.163) 1.566 10.627 ( 7.029 1.114 0.569) 7.139 11.291 ( 0.929 2.132 2.465) 3.389 11.460 ( 9.351 4.038 -2.228) 10.427 11.618 ( 4.386 2.171 2.576) 5.530 12.049 ( -7.079 -2.382 1.676) 7.655 12.200 ( 0.798 -0.667 -0.281) 1.078 12.468 ( -13.408 -9.836 2.362) 16.796 12.783 ( -9.020 -2.397 2.044) 9.555 12.945 ( -4.281 1.037 -3.678) 5.738 13.161 ( 7.740 -1.823 1.448) 8.082 13.349 ( 1.894 1.041 7.401) 7.710 13.741 ( 10.439 6.680 -9.996) 15.922 14.709 ( 1.874 2.696 4.337) 5.439 15.860 ( -12.460 -7.042 2.857) 14.595 16.305 ( -8.794 3.404 -8.289) 12.555 16.355 ( 4.869 -11.221 -5.687) 13.489 16.542 ( 3.622 8.616 7.771) 12.155 16.948 ( 8.794 4.354 0.446) 9.823 17.234 ( 6.550 2.907 -5.397) 8.971 18.235 ( -3.374 -1.630 1.915) 4.208 18.828 ( -4.357 -4.578 7.407) 9.737 18.949 ( -0.807 1.244 2.619) 3.010 19.759 ( -0.234 -4.911 6.580) 8.214 19.929 ( -2.154 4.009 -9.975) 10.964 20.368 ( 2.184 0.985 -0.774) 2.518 ======================= Grid point 239 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -2.345 -8.923 4.154) 10.119 3.194 ( 2.553 4.328 -5.110) 7.167 3.269 ( -0.862 -4.223 7.019) 8.237 3.790 ( -3.457 -20.286 -9.210) 22.546 4.037 ( 8.209 -5.105 6.095) 11.428 4.071 ( 0.380 -11.710 4.811) 12.666 4.132 ( -6.177 -2.237 3.165) 7.292 4.332 ( -2.615 0.189 3.742) 4.569 4.393 ( 6.188 1.054 -2.286) 6.681 4.509 ( 7.047 10.373 4.236) 13.237 4.633 ( -1.414 1.563 -1.207) 2.429 4.768 ( -1.727 0.301 1.486) 2.298 4.984 ( -13.262 3.041 -3.345) 14.011 5.209 ( 8.198 12.124 -9.105) 17.237 5.508 ( -6.148 -2.880 1.311) 6.915 5.630 ( 5.380 7.566 -3.995) 10.107 6.270 ( 2.116 2.224 -0.474) 3.106 6.317 ( -0.837 7.232 -1.195) 7.378 6.353 ( -0.221 -2.879 1.716) 3.359 6.499 ( -1.460 5.489 -5.103) 7.635 7.172 ( 0.076 -1.888 8.560) 8.766 7.844 ( 0.973 -14.145 1.220) 14.230 8.077 ( -3.899 0.993 0.225) 4.030 8.203 ( 2.432 6.078 0.540) 6.569 8.417 ( 1.825 -2.049 -5.701) 6.327 8.575 ( -0.700 7.221 -13.168) 15.034 9.508 ( -0.815 -0.405 -0.916) 1.292 9.759 ( -0.600 0.374 -1.885) 2.013 9.777 ( 0.723 1.619 -3.100) 3.571 10.306 ( 0.042 -0.058 -0.294) 0.303 10.384 ( 0.267 -3.605 2.872) 4.617 10.445 ( 3.013 -1.297 2.607) 4.190 10.519 ( -3.013 4.732 2.072) 5.980 11.293 ( 3.116 2.736 0.717) 4.208 11.309 ( -3.045 3.977 0.241) 5.015 11.554 ( -0.153 4.480 0.941) 4.581 12.152 ( 1.408 -4.140 0.327) 4.385 12.185 ( -1.314 0.126 0.735) 1.511 12.721 ( -2.263 -10.073 0.556) 10.339 12.853 ( 6.072 -9.388 6.537) 12.951 12.974 ( -3.327 -1.986 2.024) 4.372 13.100 ( -2.856 1.519 -0.983) 3.381 13.374 ( 5.537 4.138 2.535) 7.363 13.516 ( -3.605 9.695 -8.384) 13.314 14.677 ( 0.512 4.435 0.604) 4.505 16.155 ( 4.016 -17.029 2.512) 17.675 16.228 ( -7.338 -5.208 4.614) 10.112 16.335 ( 2.569 -3.263 -3.614) 5.505 16.633 ( 6.512 8.277 -7.115) 12.710 16.701 ( -5.950 15.899 0.153) 16.976 17.166 ( 0.074 0.848 -3.329) 3.436 18.276 ( 0.071 -1.776 2.138) 2.780 18.905 ( -1.226 -1.945 6.762) 7.142 18.944 ( 1.152 -0.048 4.783) 4.920 19.777 ( -1.250 -7.531 2.259) 7.961 19.939 ( 1.377 4.681 -6.420) 8.064 20.338 ( -0.094 1.500 -0.927) 1.766 ======================= Grid point 241 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -3.992 -6.588 7.017) 10.420 3.123 ( -2.183 -4.210 -8.208) 9.479 3.252 ( -3.963 -6.079 3.793) 8.188 3.473 ( -9.092 -16.644 0.466) 18.971 3.990 ( 0.742 -8.641 -4.509) 9.775 4.010 ( -10.700 -2.017 -1.263) 10.962 4.174 ( -0.778 -10.669 4.583) 11.637 4.276 ( -2.476 -2.563 -1.576) 3.897 4.397 ( -3.086 5.457 -5.978) 8.663 4.530 ( 11.095 -4.876 -5.348) 13.247 4.680 ( -1.735 9.868 5.333) 11.351 4.861 ( 2.953 6.254 2.499) 7.354 5.047 ( 0.739 6.989 10.525) 12.656 5.267 ( 6.992 7.054 -8.300) 12.944 5.487 ( -1.557 -2.411 4.959) 5.729 5.685 ( 4.897 7.686 -3.753) 9.856 6.288 ( -0.467 -1.271 -0.539) 1.458 6.367 ( 1.831 2.239 -1.384) 3.206 6.393 ( 2.756 7.971 -0.477) 8.448 6.537 ( 5.490 7.938 2.976) 10.100 7.186 ( -2.375 -4.095 0.134) 4.736 7.723 ( -6.684 -10.100 -0.999) 12.153 8.014 ( -0.467 -2.577 2.448) 3.585 8.291 ( 2.839 1.863 -1.689) 3.792 8.443 ( -2.206 4.555 -3.175) 5.974 8.521 ( 6.293 5.829 2.063) 8.823 9.503 ( 0.072 0.478 1.191) 1.285 9.759 ( 0.398 1.523 0.956) 1.842 9.774 ( 1.465 1.390 -1.021) 2.263 10.296 ( -0.851 -1.139 -0.425) 1.484 10.383 ( -1.312 -0.805 -0.783) 1.727 10.424 ( -0.451 -2.823 -1.060) 3.049 10.599 ( 2.651 5.206 1.843) 6.125 11.308 ( 1.079 1.427 -1.109) 2.105 11.398 ( 4.198 7.775 0.958) 8.888 11.617 ( 2.985 4.850 0.277) 5.702 12.091 ( -3.144 -5.616 -0.880) 6.496 12.195 ( 0.291 0.624 0.737) 1.009 12.559 ( -8.393 -14.641 1.210) 16.919 12.838 ( -8.057 -5.594 -5.025) 11.021 12.915 ( 2.400 -7.571 2.843) 8.436 13.134 ( 1.468 5.221 2.261) 5.876 13.466 ( -0.444 7.606 -3.865) 8.543 13.562 ( 8.183 6.631 3.195) 11.006 14.733 ( 2.982 5.186 -0.762) 6.031 15.959 ( -8.809 -14.303 -0.542) 16.807 16.187 ( -1.021 -9.572 2.586) 9.968 16.369 ( -5.057 4.575 -2.739) 7.349 16.586 ( 5.973 3.193 0.043) 6.773 16.912 ( 8.306 14.326 0.902) 16.584 17.160 ( 0.792 2.168 -0.080) 2.309 18.264 ( -1.646 -2.842 -0.152) 3.287 18.923 ( -2.707 -3.129 2.782) 4.985 18.956 ( -0.021 -1.740 -2.577) 3.110 19.783 ( -2.768 -4.079 4.000) 6.348 19.880 ( 1.381 1.766 -4.244) 4.800 20.354 ( 1.180 2.050 0.140) 2.369 ======================= Grid point 318 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 0.000 0.000 0.000) 0.000 3.117 ( -0.000 0.000 0.000) 0.000 3.381 ( -0.000 0.000 -0.000) 0.000 3.903 ( -0.000 -0.000 0.000) 0.000 4.164 ( -0.000 -0.000 -0.000) 0.000 4.164 ( -0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 -0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.398 ( -0.000 -0.000 0.000) 0.000 4.597 ( 0.000 0.000 -0.000) 0.000 4.597 ( -0.000 0.000 0.000) 0.000 4.880 ( -0.000 -0.000 -0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 -0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.552 ( -0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.247 ( -0.000 0.000 0.000) 0.000 6.403 ( -0.000 0.000 0.000) 0.000 6.405 ( -0.000 0.000 -0.000) 0.000 7.256 ( -0.000 0.000 0.000) 0.000 8.072 ( -0.000 -0.000 0.000) 0.000 8.074 ( 0.000 -0.000 0.000) 0.000 8.074 ( 0.000 0.000 -0.000) 0.000 8.392 ( 0.000 0.000 -0.000) 0.000 8.392 ( -0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.742 ( -0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 10.305 ( -0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.476 ( -0.000 -0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 11.281 ( 0.000 0.000 0.000) 0.000 11.281 ( -0.000 0.000 0.000) 0.000 11.522 ( -0.000 0.000 0.000) 0.000 12.189 ( -0.000 0.000 0.000) 0.000 12.189 ( -0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 13.004 ( -0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.112 ( -0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 -0.000) 0.000 16.335 ( -0.000 0.000 0.000) 0.000 16.412 ( 0.000 0.000 0.000) 0.000 16.478 ( -0.000 -0.000 -0.000) 0.000 16.478 ( -0.000 0.000 0.000) 0.000 17.135 ( -0.000 0.000 0.000) 0.000 18.306 ( 0.000 0.000 0.000) 0.000 18.977 ( 0.000 0.000 0.000) 0.000 18.977 ( 0.000 0.000 0.000) 0.000 19.850 ( -0.000 0.000 0.000) 0.000 19.850 ( -0.000 0.000 0.000) 0.000 20.319 ( -0.000 0.000 0.000) 0.000 =================== 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 3/29184 10.0 3712.437 3712.437 6524.111 0.000 -0.000 -0.000 3/29184 20.0 939.841 939.841 1461.481 0.000 -0.000 -0.000 3/29184 30.0 261.201 261.201 416.251 0.000 -0.000 -0.000 3/29184 40.0 119.537 119.537 192.275 0.000 -0.000 -0.000 3/29184 50.0 70.413 70.413 113.281 0.000 -0.000 -0.000 3/29184 60.0 47.767 47.767 76.685 0.000 -0.000 -0.000 3/29184 70.0 35.332 35.332 56.569 0.000 -0.000 -0.000 3/29184 80.0 27.677 27.677 44.188 0.000 -0.000 -0.000 3/29184 90.0 22.579 22.579 35.945 0.000 -0.000 -0.000 3/29184 100.0 18.983 18.983 30.132 0.000 -0.000 -0.000 3/29184 110.0 16.333 16.333 25.851 0.000 -0.000 -0.000 3/29184 120.0 14.313 14.313 22.586 0.000 -0.000 -0.000 3/29184 130.0 12.729 12.729 20.027 0.000 -0.000 -0.000 3/29184 140.0 11.458 11.458 17.975 0.000 -0.000 -0.000 3/29184 150.0 10.418 10.418 16.297 0.000 -0.000 -0.000 3/29184 160.0 9.553 9.553 14.902 0.000 -0.000 -0.000 3/29184 170.0 8.823 8.823 13.726 0.000 -0.000 -0.000 3/29184 180.0 8.199 8.199 12.722 0.000 -0.000 -0.000 3/29184 190.0 7.660 7.660 11.856 0.000 -0.000 -0.000 3/29184 200.0 7.190 7.190 11.102 0.000 -0.000 -0.000 3/29184 210.0 6.777 6.777 10.440 0.000 -0.000 -0.000 3/29184 220.0 6.410 6.410 9.854 0.000 -0.000 -0.000 3/29184 230.0 6.082 6.082 9.332 0.000 -0.000 -0.000 3/29184 240.0 5.787 5.787 8.863 0.000 -0.000 -0.000 3/29184 250.0 5.521 5.521 8.441 0.000 -0.000 -0.000 3/29184 260.0 5.279 5.279 8.058 0.000 -0.000 -0.000 3/29184 270.0 5.059 5.059 7.709 0.000 -0.000 -0.000 3/29184 280.0 4.857 4.857 7.391 0.000 -0.000 -0.000 3/29184 290.0 4.671 4.671 7.098 0.000 -0.000 -0.000 3/29184 300.0 4.499 4.499 6.828 0.000 -0.000 -0.000 3/29184 310.0 4.340 4.340 6.579 0.000 -0.000 -0.000 3/29184 320.0 4.192 4.192 6.348 0.000 -0.000 -0.000 3/29184 330.0 4.054 4.054 6.133 0.000 -0.000 -0.000 3/29184 340.0 3.925 3.925 5.933 0.000 -0.000 -0.000 3/29184 350.0 3.805 3.805 5.745 0.000 -0.000 -0.000 3/29184 360.0 3.692 3.692 5.570 0.000 -0.000 -0.000 3/29184 370.0 3.585 3.585 5.405 0.000 -0.000 -0.000 3/29184 380.0 3.485 3.485 5.250 0.000 -0.000 -0.000 3/29184 390.0 3.390 3.390 5.104 0.000 -0.000 -0.000 3/29184 400.0 3.301 3.301 4.966 0.000 -0.000 -0.000 3/29184 410.0 3.216 3.216 4.835 0.000 -0.000 -0.000 3/29184 420.0 3.136 3.136 4.711 0.000 -0.000 -0.000 3/29184 430.0 3.059 3.059 4.594 0.000 -0.000 -0.000 3/29184 440.0 2.987 2.987 4.483 0.000 -0.000 -0.000 3/29184 450.0 2.917 2.917 4.377 0.000 -0.000 -0.000 3/29184 460.0 2.851 2.851 4.275 0.000 -0.000 -0.000 3/29184 470.0 2.788 2.788 4.179 0.000 -0.000 -0.000 3/29184 480.0 2.728 2.728 4.087 0.000 -0.000 -0.000 3/29184 490.0 2.670 2.670 3.999 0.000 -0.000 -0.000 3/29184 500.0 2.615 2.615 3.915 0.000 -0.000 -0.000 3/29184 510.0 2.562 2.562 3.834 0.000 -0.000 -0.000 3/29184 520.0 2.511 2.511 3.757 0.000 -0.000 -0.000 3/29184 530.0 2.462 2.462 3.683 0.000 -0.000 -0.000 3/29184 540.0 2.415 2.415 3.611 0.000 -0.000 -0.000 3/29184 550.0 2.370 2.370 3.543 0.000 -0.000 -0.000 3/29184 560.0 2.327 2.327 3.477 0.000 -0.000 -0.000 3/29184 570.0 2.285 2.285 3.413 0.000 -0.000 -0.000 3/29184 580.0 2.245 2.245 3.352 0.000 -0.000 -0.000 3/29184 590.0 2.206 2.206 3.293 0.000 -0.000 -0.000 3/29184 600.0 2.168 2.168 3.236 0.000 -0.000 -0.000 3/29184 610.0 2.132 2.132 3.181 0.000 -0.000 -0.000 3/29184 620.0 2.096 2.096 3.128 0.000 -0.000 -0.000 3/29184 630.0 2.063 2.063 3.077 0.000 -0.000 -0.000 3/29184 640.0 2.030 2.030 3.027 0.000 -0.000 -0.000 3/29184 650.0 1.998 1.998 2.979 0.000 -0.000 -0.000 3/29184 660.0 1.967 1.967 2.933 0.000 -0.000 -0.000 3/29184 670.0 1.937 1.937 2.888 0.000 -0.000 -0.000 3/29184 680.0 1.908 1.908 2.844 0.000 -0.000 -0.000 3/29184 690.0 1.880 1.880 2.802 0.000 -0.000 -0.000 3/29184 700.0 1.853 1.853 2.761 0.000 -0.000 -0.000 3/29184 710.0 1.826 1.826 2.721 0.000 -0.000 -0.000 3/29184 720.0 1.800 1.800 2.682 0.000 -0.000 -0.000 3/29184 730.0 1.775 1.775 2.644 0.000 -0.000 -0.000 3/29184 740.0 1.751 1.751 2.608 0.000 -0.000 -0.000 3/29184 750.0 1.727 1.727 2.572 0.000 -0.000 -0.000 3/29184 760.0 1.704 1.704 2.537 0.000 -0.000 -0.000 3/29184 770.0 1.682 1.682 2.504 0.000 -0.000 -0.000 3/29184 780.0 1.660 1.660 2.471 0.000 -0.000 -0.000 3/29184 790.0 1.639 1.639 2.439 0.000 -0.000 -0.000 3/29184 800.0 1.618 1.618 2.408 0.000 -0.000 -0.000 3/29184 810.0 1.598 1.598 2.378 0.000 -0.000 -0.000 3/29184 820.0 1.578 1.578 2.348 0.000 -0.000 -0.000 3/29184 830.0 1.559 1.559 2.319 0.000 -0.000 -0.000 3/29184 840.0 1.540 1.540 2.291 0.000 -0.000 -0.000 3/29184 850.0 1.522 1.522 2.264 0.000 -0.000 -0.000 3/29184 860.0 1.504 1.504 2.237 0.000 -0.000 -0.000 3/29184 870.0 1.486 1.486 2.211 0.000 -0.000 -0.000 3/29184 880.0 1.469 1.469 2.185 0.000 -0.000 -0.000 3/29184 890.0 1.453 1.453 2.160 0.000 -0.000 -0.000 3/29184 900.0 1.436 1.436 2.136 0.000 -0.000 -0.000 3/29184 910.0 1.420 1.420 2.112 0.000 -0.000 -0.000 3/29184 920.0 1.405 1.405 2.089 0.000 -0.000 -0.000 3/29184 930.0 1.390 1.390 2.066 0.000 -0.000 -0.000 3/29184 940.0 1.375 1.375 2.043 0.000 -0.000 -0.000 3/29184 950.0 1.360 1.360 2.022 0.000 -0.000 -0.000 3/29184 960.0 1.346 1.346 2.000 0.000 -0.000 -0.000 3/29184 970.0 1.332 1.332 1.979 0.000 -0.000 -0.000 3/29184 980.0 1.318 1.318 1.959 0.000 -0.000 -0.000 3/29184 990.0 1.305 1.305 1.939 0.000 -0.000 -0.000 3/29184 1000.0 1.291 1.291 1.919 0.000 -0.000 -0.000 3/29184 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:27:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|