----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:49:33]------------------------- Compiled with OpenMP support (max 48 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 5.192519984902570 2.997902811056004 3.301253343333329 b -5.192519984902559 2.997902811056004 3.301253343333329 c 0.000000000000005 -5.995805622112016 3.301253343333329 Atomic positions (fractional): *1 O 0.59293390245778 0.43878831506267 0.17710731114777 15.999 2 O 0.43878831506267 0.17710731114777 0.59293390245778 15.999 3 O 0.17710731114777 0.59293390245778 0.43878831506267 15.999 4 O 0.40706609754222 0.56121168493734 0.82289268885223 15.999 5 O 0.56121168493733 0.82289268885223 0.40706609754222 15.999 6 O 0.82289268885223 0.40706609754222 0.56121168493733 15.999 *7 O 0.70289839031789 0.04363134240366 0.93431498814705 15.999 8 O 0.06568501185295 0.29710160968211 0.95636865759635 15.999 9 O 0.95636865759635 0.06568501185295 0.29710160968211 15.999 10 O 0.29710160968211 0.95636865759635 0.06568501185295 15.999 11 O 0.93431498814705 0.70289839031790 0.04363134240365 15.999 12 O 0.04363134240365 0.93431498814705 0.70289839031789 15.999 *13 La 0.85608134421360 0.69033654560802 0.39277609897699 138.905 14 La 0.69033654560802 0.39277609897699 0.85608134421360 138.905 15 La 0.39277609897699 0.85608134421360 0.69033654560802 138.905 16 La 0.14391865578640 0.30966345439198 0.60722390102301 138.905 17 La 0.30966345439198 0.60722390102301 0.14391865578640 138.905 18 La 0.60722390102301 0.14391865578640 0.30966345439198 138.905 *19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.385039969805129 0.000000000000000 0.000000000000000 b -5.192519984902565 8.993708433168020 0.000000000000000 c 0.000000000000000 0.000000000000000 9.903760029999999 Atomic positions (fractional): *1 O 0.18999072623504 0.22583586507497 0.40294317622274 15.999 > 1 2 O 0.03584513883993 0.81000927376496 0.40294317622274 15.999 > 2 3 O 0.77416413492503 0.96415486116007 0.40294317622274 15.999 > 3 4 O 0.81000927376496 0.77416413492503 0.59705682377726 15.999 > 4 5 O 0.96415486116007 0.18999072623504 0.59705682377726 15.999 > 5 6 O 0.22583586507497 0.03584513883993 0.59705682377726 15.999 > 6 *7 O 0.14261681669503 0.62596658547581 0.56028157362287 15.999 > 7 8 O 0.62596658547581 0.48334976878079 0.43971842637713 15.999 > 8 9 O 0.51665023121921 0.14261681669503 0.43971842637713 15.999 > 9 10 O 0.85738318330497 0.37403341452418 0.43971842637713 15.999 > 10 11 O 0.37403341452418 0.51665023121921 0.56028157362287 15.999 > 11 12 O 0.48334976878079 0.85738318330497 0.56028157362287 15.999 > 12 13 O 0.85665739290171 0.55916919840830 0.73627650955607 15.999 > 1 14 O 0.70251180550659 0.14334260709829 0.73627650955607 15.999 > 2 15 O 0.44083080159170 0.29748819449340 0.73627650955607 15.999 > 3 16 O 0.47667594043163 0.10749746825836 0.93039015711060 15.999 > 4 17 O 0.63082152782674 0.52332405956837 0.93039015711060 15.999 > 5 18 O 0.89250253174164 0.36917847217326 0.93039015711060 15.999 > 6 19 O 0.80928348336169 0.95929991880915 0.89361490695620 15.999 > 7 20 O 0.29263325214248 0.81668310211412 0.77305175971047 15.999 > 8 21 O 0.18331689788588 0.47595015002836 0.77305175971047 15.999 > 9 22 O 0.52404984997164 0.70736674785752 0.77305175971047 15.999 > 10 23 O 0.04070008119085 0.84998356455255 0.89361490695620 15.999 > 11 24 O 0.15001643544745 0.19071651663831 0.89361490695620 15.999 > 12 25 O 0.52332405956837 0.89250253174164 0.06960984288940 15.999 > 1 26 O 0.36917847217326 0.47667594043163 0.06960984288940 15.999 > 2 27 O 0.10749746825836 0.63082152782674 0.06960984288940 15.999 > 3 28 O 0.14334260709829 0.44083080159170 0.26372349044393 15.999 > 4 29 O 0.29748819449340 0.85665739290171 0.26372349044393 15.999 > 5 30 O 0.55916919840830 0.70251180550659 0.26372349044393 15.999 > 6 31 O 0.47595015002836 0.29263325214248 0.22694824028953 15.999 > 7 32 O 0.95929991880915 0.15001643544745 0.10638509304380 15.999 > 8 33 O 0.84998356455255 0.80928348336169 0.10638509304380 15.999 > 9 34 O 0.19071651663831 0.04070008119085 0.10638509304380 15.999 > 10 35 O 0.70736674785752 0.18331689788588 0.22694824028953 15.999 > 11 36 O 0.81668310211412 0.52404984997164 0.22694824028953 15.999 > 12 *37 La 0.20968334794740 0.25362189728921 0.64639799626620 138.905 > 13 38 La 0.04393854934181 0.79031665205260 0.64639799626620 138.905 > 14 39 La 0.74637810271079 0.95606145065819 0.64639799626620 138.905 > 15 40 La 0.79031665205260 0.74637810271079 0.35360200373380 138.905 > 16 41 La 0.95606145065819 0.20968334794740 0.35360200373380 138.905 > 17 42 La 0.25362189728921 0.04393854934181 0.35360200373380 138.905 > 18 43 La 0.87635001461407 0.58695523062255 0.97973132959954 138.905 > 13 44 La 0.71060521600848 0.12364998538593 0.97973132959954 138.905 > 14 45 La 0.41304476937745 0.28939478399152 0.97973132959954 138.905 > 15 46 La 0.45698331871927 0.07971143604412 0.68693533706713 138.905 > 16 47 La 0.62272811732485 0.54301668128073 0.68693533706713 138.905 > 17 48 La 0.92028856395588 0.37727188267515 0.68693533706713 138.905 > 18 49 La 0.54301668128073 0.92028856395588 0.31306466293287 138.905 > 13 50 La 0.37727188267515 0.45698331871927 0.31306466293287 138.905 > 14 51 La 0.07971143604412 0.62272811732485 0.31306466293287 138.905 > 15 52 La 0.12364998538593 0.41304476937745 0.02026867040046 138.905 > 16 53 La 0.28939478399152 0.87635001461407 0.02026867040046 138.905 > 17 54 La 0.58695523062255 0.71060521600848 0.02026867040046 138.905 > 18 *55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 56 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 19 57 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 19 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.385039969805129 0.000000000000000 0.000000000000000 b -5.192519984902565 8.993708433168020 0.000000000000000 c 0.000000000000000 0.000000000000000 19.807520059999998 Atomic positions (fractional): *1 O 0.18999072623504 0.22583586507497 0.20147158811137 15.999 > 1 2 O 0.18999072623504 0.22583586507497 0.70147158811137 15.999 > 1 3 O 0.03584513883993 0.81000927376496 0.20147158811137 15.999 > 2 4 O 0.03584513883993 0.81000927376496 0.70147158811137 15.999 > 2 5 O 0.77416413492503 0.96415486116007 0.20147158811137 15.999 > 3 6 O 0.77416413492503 0.96415486116007 0.70147158811137 15.999 > 3 7 O 0.81000927376496 0.77416413492503 0.29852841188863 15.999 > 4 8 O 0.81000927376496 0.77416413492503 0.79852841188863 15.999 > 4 9 O 0.96415486116007 0.18999072623504 0.29852841188863 15.999 > 5 10 O 0.96415486116007 0.18999072623504 0.79852841188863 15.999 > 5 11 O 0.22583586507497 0.03584513883993 0.29852841188863 15.999 > 6 12 O 0.22583586507497 0.03584513883993 0.79852841188863 15.999 > 6 *13 O 0.14261681669503 0.62596658547581 0.28014078681143 15.999 > 7 14 O 0.14261681669503 0.62596658547581 0.78014078681143 15.999 > 7 15 O 0.62596658547581 0.48334976878079 0.21985921318857 15.999 > 8 16 O 0.62596658547581 0.48334976878079 0.71985921318857 15.999 > 8 17 O 0.51665023121921 0.14261681669503 0.21985921318857 15.999 > 9 18 O 0.51665023121921 0.14261681669503 0.71985921318857 15.999 > 9 19 O 0.85738318330497 0.37403341452418 0.21985921318857 15.999 > 10 20 O 0.85738318330497 0.37403341452418 0.71985921318857 15.999 > 10 21 O 0.37403341452418 0.51665023121921 0.28014078681143 15.999 > 11 22 O 0.37403341452418 0.51665023121921 0.78014078681143 15.999 > 11 23 O 0.48334976878079 0.85738318330497 0.28014078681143 15.999 > 12 24 O 0.48334976878079 0.85738318330497 0.78014078681143 15.999 > 12 25 O 0.85665739290171 0.55916919840830 0.36813825477804 15.999 > 1 26 O 0.85665739290171 0.55916919840830 0.86813825477804 15.999 > 1 27 O 0.70251180550659 0.14334260709829 0.36813825477804 15.999 > 2 28 O 0.70251180550659 0.14334260709829 0.86813825477804 15.999 > 2 29 O 0.44083080159170 0.29748819449340 0.36813825477804 15.999 > 3 30 O 0.44083080159170 0.29748819449340 0.86813825477804 15.999 > 3 31 O 0.47667594043163 0.10749746825836 0.46519507855530 15.999 > 4 32 O 0.47667594043163 0.10749746825836 0.96519507855530 15.999 > 4 33 O 0.63082152782674 0.52332405956837 0.46519507855530 15.999 > 5 34 O 0.63082152782674 0.52332405956837 0.96519507855530 15.999 > 5 35 O 0.89250253174164 0.36917847217326 0.46519507855530 15.999 > 6 36 O 0.89250253174164 0.36917847217326 0.96519507855530 15.999 > 6 37 O 0.80928348336169 0.95929991880915 0.44680745347810 15.999 > 7 38 O 0.80928348336169 0.95929991880915 0.94680745347810 15.999 > 7 39 O 0.29263325214248 0.81668310211412 0.38652587985523 15.999 > 8 40 O 0.29263325214248 0.81668310211412 0.88652587985523 15.999 > 8 41 O 0.18331689788588 0.47595015002836 0.38652587985523 15.999 > 9 42 O 0.18331689788588 0.47595015002836 0.88652587985523 15.999 > 9 43 O 0.52404984997164 0.70736674785752 0.38652587985523 15.999 > 10 44 O 0.52404984997164 0.70736674785752 0.88652587985523 15.999 > 10 45 O 0.04070008119085 0.84998356455255 0.44680745347810 15.999 > 11 46 O 0.04070008119085 0.84998356455255 0.94680745347810 15.999 > 11 47 O 0.15001643544745 0.19071651663831 0.44680745347810 15.999 > 12 48 O 0.15001643544745 0.19071651663831 0.94680745347810 15.999 > 12 49 O 0.52332405956837 0.89250253174164 0.03480492144470 15.999 > 1 50 O 0.52332405956837 0.89250253174164 0.53480492144470 15.999 > 1 51 O 0.36917847217326 0.47667594043163 0.03480492144470 15.999 > 2 52 O 0.36917847217326 0.47667594043163 0.53480492144470 15.999 > 2 53 O 0.10749746825836 0.63082152782674 0.03480492144470 15.999 > 3 54 O 0.10749746825836 0.63082152782674 0.53480492144470 15.999 > 3 55 O 0.14334260709829 0.44083080159170 0.13186174522196 15.999 > 4 56 O 0.14334260709829 0.44083080159170 0.63186174522196 15.999 > 4 57 O 0.29748819449340 0.85665739290171 0.13186174522196 15.999 > 5 58 O 0.29748819449340 0.85665739290171 0.63186174522196 15.999 > 5 59 O 0.55916919840830 0.70251180550659 0.13186174522196 15.999 > 6 60 O 0.55916919840830 0.70251180550659 0.63186174522196 15.999 > 6 61 O 0.47595015002836 0.29263325214248 0.11347412014477 15.999 > 7 62 O 0.47595015002836 0.29263325214248 0.61347412014477 15.999 > 7 63 O 0.95929991880915 0.15001643544745 0.05319254652190 15.999 > 8 64 O 0.95929991880915 0.15001643544745 0.55319254652190 15.999 > 8 65 O 0.84998356455255 0.80928348336169 0.05319254652190 15.999 > 9 66 O 0.84998356455255 0.80928348336169 0.55319254652190 15.999 > 9 67 O 0.19071651663831 0.04070008119085 0.05319254652190 15.999 > 10 68 O 0.19071651663831 0.04070008119085 0.55319254652190 15.999 > 10 69 O 0.70736674785752 0.18331689788588 0.11347412014477 15.999 > 11 70 O 0.70736674785752 0.18331689788588 0.61347412014477 15.999 > 11 71 O 0.81668310211412 0.52404984997164 0.11347412014477 15.999 > 12 72 O 0.81668310211412 0.52404984997164 0.61347412014477 15.999 > 12 *73 La 0.20968334794740 0.25362189728921 0.32319899813310 138.905 > 13 74 La 0.20968334794740 0.25362189728921 0.82319899813310 138.905 > 13 75 La 0.04393854934181 0.79031665205260 0.32319899813310 138.905 > 14 76 La 0.04393854934181 0.79031665205260 0.82319899813310 138.905 > 14 77 La 0.74637810271079 0.95606145065819 0.32319899813310 138.905 > 15 78 La 0.74637810271079 0.95606145065819 0.82319899813310 138.905 > 15 79 La 0.79031665205260 0.74637810271079 0.17680100186690 138.905 > 16 80 La 0.79031665205260 0.74637810271079 0.67680100186690 138.905 > 16 81 La 0.95606145065819 0.20968334794740 0.17680100186690 138.905 > 17 82 La 0.95606145065819 0.20968334794740 0.67680100186690 138.905 > 17 83 La 0.25362189728921 0.04393854934181 0.17680100186690 138.905 > 18 84 La 0.25362189728921 0.04393854934181 0.67680100186690 138.905 > 18 85 La 0.87635001461407 0.58695523062255 0.48986566479977 138.905 > 13 86 La 0.87635001461407 0.58695523062255 0.98986566479977 138.905 > 13 87 La 0.71060521600848 0.12364998538593 0.48986566479977 138.905 > 14 88 La 0.71060521600848 0.12364998538593 0.98986566479977 138.905 > 14 89 La 0.41304476937745 0.28939478399152 0.48986566479977 138.905 > 15 90 La 0.41304476937745 0.28939478399152 0.98986566479977 138.905 > 15 91 La 0.45698331871927 0.07971143604412 0.34346766853357 138.905 > 16 92 La 0.45698331871927 0.07971143604412 0.84346766853357 138.905 > 16 93 La 0.62272811732485 0.54301668128073 0.34346766853357 138.905 > 17 94 La 0.62272811732485 0.54301668128073 0.84346766853357 138.905 > 17 95 La 0.92028856395588 0.37727188267515 0.34346766853357 138.905 > 18 96 La 0.92028856395588 0.37727188267515 0.84346766853357 138.905 > 18 97 La 0.54301668128073 0.92028856395588 0.15653233146643 138.905 > 13 98 La 0.54301668128073 0.92028856395588 0.65653233146643 138.905 > 13 99 La 0.37727188267515 0.45698331871927 0.15653233146643 138.905 > 14 100 La 0.37727188267515 0.45698331871927 0.65653233146643 138.905 > 14 101 La 0.07971143604412 0.62272811732485 0.15653233146643 138.905 > 15 102 La 0.07971143604412 0.62272811732485 0.65653233146643 138.905 > 15 103 La 0.12364998538593 0.41304476937745 0.01013433520023 138.905 > 16 104 La 0.12364998538593 0.41304476937745 0.51013433520023 138.905 > 16 105 La 0.28939478399152 0.87635001461407 0.01013433520023 138.905 > 17 106 La 0.28939478399152 0.87635001461407 0.51013433520023 138.905 > 17 107 La 0.58695523062255 0.71060521600848 0.01013433520023 138.905 > 18 108 La 0.58695523062255 0.71060521600848 0.51013433520023 138.905 > 18 *109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 19 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 19 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 19 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 19 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 19 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7607862 0.0000033 0.0000000 -0.0000033 4.7607862 0.0000000 0.0000000 0.0000000 4.4850686 -------------------------- Born effective charges -------------------------- 1 O -2.9893912 0.2673005 0.1034132 0.2263020 -2.7298405 0.1154706 0.0616564 0.0594795 -2.4984568 2 O -3.0084643 -0.2152901 0.0482939 -0.2562887 -2.7107673 -0.1472938 0.0206825 -0.0831358 -2.4984568 3 O -2.5809920 0.0094874 -0.1517071 -0.0315111 -3.1382397 0.0318232 -0.0823389 0.0236563 -2.4984568 4 O -2.9893912 0.2673005 0.1034132 0.2263020 -2.7298405 0.1154706 0.0616564 0.0594795 -2.4984568 5 O -3.0084643 -0.2152901 0.0482939 -0.2562887 -2.7107673 -0.1472938 0.0206825 -0.0831358 -2.4984568 6 O -2.5809920 0.0094874 -0.1517071 -0.0315111 -3.1382397 0.0318232 -0.0823389 0.0236563 -2.4984568 7 O -3.2414515 -0.1898579 -1.0083353 -0.1517767 -1.5101146 -0.2001311 -0.9880043 -0.1699578 -2.3497726 8 O -2.0908810 0.8160589 0.6774862 0.8541401 -2.6606852 -0.7731784 0.6411899 -0.7706579 -2.3497726 9 O -1.7950168 -0.6833228 0.3308490 -0.6452416 -2.9565494 0.9733095 0.3468144 0.9406157 -2.3497726 10 O -3.2414515 -0.1898579 -1.0083353 -0.1517767 -1.5101146 -0.2001311 -0.9880043 -0.1699578 -2.3497726 11 O -2.0908810 0.8160589 0.6774862 0.8541401 -2.6606852 -0.7731784 0.6411899 -0.7706579 -2.3497726 12 O -1.7950168 -0.6833228 0.3308490 -0.6452416 -2.9565494 0.9733095 0.3468144 0.9406157 -2.3497726 13 La 4.4584626 -0.2914307 0.3805847 -0.2033559 3.9138093 -0.0487810 0.4758866 0.2723223 4.1216499 14 La 4.2642215 0.3155011 -0.2325380 0.4035758 4.1080504 -0.3052055 -0.0021052 -0.5482910 4.1216499 15 La 3.8357237 -0.1561825 -0.1480468 -0.0681077 4.5365482 0.3539865 -0.4737814 0.2759687 4.1216499 16 La 4.4584626 -0.2914307 0.3805847 -0.2033559 3.9138093 -0.0487810 0.4758866 0.2723223 4.1216499 17 La 4.2642215 0.3155011 -0.2325380 0.4035758 4.1080504 -0.3052055 -0.0021052 -0.5482910 4.1216499 18 La 3.8357237 -0.1561825 -0.1480468 -0.0681077 4.5365482 0.3539865 -0.4737814 0.2759687 4.1216499 19 U 6.2955778 0.2554725 0.0000000 -0.2554725 6.2955778 0.0000000 0.0000000 0.0000000 4.3594768 ---------------------------------------------------------------------------- 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: 754 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) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 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) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 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, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 114 / 114 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.429 Solver_block: 200 / 400 - Time: 0.388 Solver_block: 300 / 400 - Time: 0.388 Solver_block: 400 / 400 - Time: 0.386 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.626 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) 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: 754 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) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 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) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 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, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) 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 04:49:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:49:50]------------------------- Compiled with OpenMP support (max 48 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 5.192519984902570 2.997902811056004 3.301253343333329 b -5.192519984902559 2.997902811056004 3.301253343333329 c 0.000000000000005 -5.995805622112016 3.301253343333329 Atomic positions (fractional): 1 O 0.59293390245778 0.43878831506267 0.17710731114777 15.999 2 O 0.43878831506267 0.17710731114777 0.59293390245778 15.999 3 O 0.17710731114777 0.59293390245778 0.43878831506267 15.999 4 O 0.40706609754222 0.56121168493734 0.82289268885223 15.999 5 O 0.56121168493733 0.82289268885223 0.40706609754222 15.999 6 O 0.82289268885223 0.40706609754222 0.56121168493733 15.999 7 O 0.70289839031789 0.04363134240366 0.93431498814705 15.999 8 O 0.06568501185295 0.29710160968211 0.95636865759635 15.999 9 O 0.95636865759635 0.06568501185295 0.29710160968211 15.999 10 O 0.29710160968211 0.95636865759635 0.06568501185295 15.999 11 O 0.93431498814705 0.70289839031790 0.04363134240365 15.999 12 O 0.04363134240365 0.93431498814705 0.70289839031789 15.999 13 La 0.85608134421360 0.69033654560802 0.39277609897699 138.905 14 La 0.69033654560802 0.39277609897699 0.85608134421360 138.905 15 La 0.39277609897699 0.85608134421360 0.69033654560802 138.905 16 La 0.14391865578640 0.30966345439198 0.60722390102301 138.905 17 La 0.30966345439198 0.60722390102301 0.14391865578640 138.905 18 La 0.60722390102301 0.14391865578640 0.30966345439198 138.905 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.385039969805129 0.000000000000000 0.000000000000000 b -5.192519984902565 8.993708433168020 0.000000000000000 c 0.000000000000000 0.000000000000000 19.807520059999998 Atomic positions (fractional): 1 O 0.18999072623504 0.22583586507497 0.20147158811137 15.999 > 1 2 O 0.18999072623504 0.22583586507497 0.70147158811137 15.999 > 1 3 O 0.03584513883993 0.81000927376496 0.20147158811137 15.999 > 3 4 O 0.03584513883993 0.81000927376496 0.70147158811137 15.999 > 3 5 O 0.77416413492503 0.96415486116007 0.20147158811137 15.999 > 5 6 O 0.77416413492503 0.96415486116007 0.70147158811137 15.999 > 5 7 O 0.81000927376496 0.77416413492503 0.29852841188863 15.999 > 7 8 O 0.81000927376496 0.77416413492503 0.79852841188863 15.999 > 7 9 O 0.96415486116007 0.18999072623504 0.29852841188863 15.999 > 9 10 O 0.96415486116007 0.18999072623504 0.79852841188863 15.999 > 9 11 O 0.22583586507497 0.03584513883993 0.29852841188863 15.999 > 11 12 O 0.22583586507497 0.03584513883993 0.79852841188863 15.999 > 11 13 O 0.14261681669503 0.62596658547581 0.28014078681143 15.999 > 13 14 O 0.14261681669503 0.62596658547581 0.78014078681143 15.999 > 13 15 O 0.62596658547581 0.48334976878079 0.21985921318857 15.999 > 15 16 O 0.62596658547581 0.48334976878079 0.71985921318857 15.999 > 15 17 O 0.51665023121921 0.14261681669503 0.21985921318857 15.999 > 17 18 O 0.51665023121921 0.14261681669503 0.71985921318857 15.999 > 17 19 O 0.85738318330497 0.37403341452418 0.21985921318857 15.999 > 19 20 O 0.85738318330497 0.37403341452418 0.71985921318857 15.999 > 19 21 O 0.37403341452418 0.51665023121921 0.28014078681143 15.999 > 21 22 O 0.37403341452418 0.51665023121921 0.78014078681143 15.999 > 21 23 O 0.48334976878079 0.85738318330497 0.28014078681143 15.999 > 23 24 O 0.48334976878079 0.85738318330497 0.78014078681143 15.999 > 23 25 O 0.85665739290171 0.55916919840830 0.36813825477804 15.999 > 1 26 O 0.85665739290171 0.55916919840830 0.86813825477804 15.999 > 1 27 O 0.70251180550659 0.14334260709829 0.36813825477804 15.999 > 3 28 O 0.70251180550659 0.14334260709829 0.86813825477804 15.999 > 3 29 O 0.44083080159170 0.29748819449340 0.36813825477804 15.999 > 5 30 O 0.44083080159170 0.29748819449340 0.86813825477804 15.999 > 5 31 O 0.47667594043163 0.10749746825836 0.46519507855530 15.999 > 7 32 O 0.47667594043163 0.10749746825836 0.96519507855530 15.999 > 7 33 O 0.63082152782674 0.52332405956837 0.46519507855530 15.999 > 9 34 O 0.63082152782674 0.52332405956837 0.96519507855530 15.999 > 9 35 O 0.89250253174164 0.36917847217326 0.46519507855530 15.999 > 11 36 O 0.89250253174164 0.36917847217326 0.96519507855530 15.999 > 11 37 O 0.80928348336169 0.95929991880915 0.44680745347810 15.999 > 13 38 O 0.80928348336169 0.95929991880915 0.94680745347810 15.999 > 13 39 O 0.29263325214248 0.81668310211412 0.38652587985523 15.999 > 15 40 O 0.29263325214248 0.81668310211412 0.88652587985523 15.999 > 15 41 O 0.18331689788588 0.47595015002836 0.38652587985523 15.999 > 17 42 O 0.18331689788588 0.47595015002836 0.88652587985523 15.999 > 17 43 O 0.52404984997164 0.70736674785752 0.38652587985523 15.999 > 19 44 O 0.52404984997164 0.70736674785752 0.88652587985523 15.999 > 19 45 O 0.04070008119085 0.84998356455255 0.44680745347810 15.999 > 21 46 O 0.04070008119085 0.84998356455255 0.94680745347810 15.999 > 21 47 O 0.15001643544745 0.19071651663831 0.44680745347810 15.999 > 23 48 O 0.15001643544745 0.19071651663831 0.94680745347810 15.999 > 23 49 O 0.52332405956837 0.89250253174164 0.03480492144470 15.999 > 1 50 O 0.52332405956837 0.89250253174164 0.53480492144470 15.999 > 1 51 O 0.36917847217326 0.47667594043163 0.03480492144470 15.999 > 3 52 O 0.36917847217326 0.47667594043163 0.53480492144470 15.999 > 3 53 O 0.10749746825836 0.63082152782674 0.03480492144470 15.999 > 5 54 O 0.10749746825836 0.63082152782674 0.53480492144470 15.999 > 5 55 O 0.14334260709829 0.44083080159170 0.13186174522196 15.999 > 7 56 O 0.14334260709829 0.44083080159170 0.63186174522196 15.999 > 7 57 O 0.29748819449340 0.85665739290171 0.13186174522196 15.999 > 9 58 O 0.29748819449340 0.85665739290171 0.63186174522196 15.999 > 9 59 O 0.55916919840830 0.70251180550659 0.13186174522196 15.999 > 11 60 O 0.55916919840830 0.70251180550659 0.63186174522196 15.999 > 11 61 O 0.47595015002836 0.29263325214248 0.11347412014477 15.999 > 13 62 O 0.47595015002836 0.29263325214248 0.61347412014477 15.999 > 13 63 O 0.95929991880915 0.15001643544745 0.05319254652190 15.999 > 15 64 O 0.95929991880915 0.15001643544745 0.55319254652190 15.999 > 15 65 O 0.84998356455255 0.80928348336169 0.05319254652190 15.999 > 17 66 O 0.84998356455255 0.80928348336169 0.55319254652190 15.999 > 17 67 O 0.19071651663831 0.04070008119085 0.05319254652190 15.999 > 19 68 O 0.19071651663831 0.04070008119085 0.55319254652190 15.999 > 19 69 O 0.70736674785752 0.18331689788588 0.11347412014477 15.999 > 21 70 O 0.70736674785752 0.18331689788588 0.61347412014477 15.999 > 21 71 O 0.81668310211412 0.52404984997164 0.11347412014477 15.999 > 23 72 O 0.81668310211412 0.52404984997164 0.61347412014477 15.999 > 23 73 La 0.20968334794740 0.25362189728921 0.32319899813310 138.905 > 73 74 La 0.20968334794740 0.25362189728921 0.82319899813310 138.905 > 73 75 La 0.04393854934181 0.79031665205260 0.32319899813310 138.905 > 75 76 La 0.04393854934181 0.79031665205260 0.82319899813310 138.905 > 75 77 La 0.74637810271079 0.95606145065819 0.32319899813310 138.905 > 77 78 La 0.74637810271079 0.95606145065819 0.82319899813310 138.905 > 77 79 La 0.79031665205260 0.74637810271079 0.17680100186690 138.905 > 79 80 La 0.79031665205260 0.74637810271079 0.67680100186690 138.905 > 79 81 La 0.95606145065819 0.20968334794740 0.17680100186690 138.905 > 81 82 La 0.95606145065819 0.20968334794740 0.67680100186690 138.905 > 81 83 La 0.25362189728921 0.04393854934181 0.17680100186690 138.905 > 83 84 La 0.25362189728921 0.04393854934181 0.67680100186690 138.905 > 83 85 La 0.87635001461407 0.58695523062255 0.48986566479977 138.905 > 73 86 La 0.87635001461407 0.58695523062255 0.98986566479977 138.905 > 73 87 La 0.71060521600848 0.12364998538593 0.48986566479977 138.905 > 75 88 La 0.71060521600848 0.12364998538593 0.98986566479977 138.905 > 75 89 La 0.41304476937745 0.28939478399152 0.48986566479977 138.905 > 77 90 La 0.41304476937745 0.28939478399152 0.98986566479977 138.905 > 77 91 La 0.45698331871927 0.07971143604412 0.34346766853357 138.905 > 79 92 La 0.45698331871927 0.07971143604412 0.84346766853357 138.905 > 79 93 La 0.62272811732485 0.54301668128073 0.34346766853357 138.905 > 81 94 La 0.62272811732485 0.54301668128073 0.84346766853357 138.905 > 81 95 La 0.92028856395588 0.37727188267515 0.34346766853357 138.905 > 83 96 La 0.92028856395588 0.37727188267515 0.84346766853357 138.905 > 83 97 La 0.54301668128073 0.92028856395588 0.15653233146643 138.905 > 73 98 La 0.54301668128073 0.92028856395588 0.65653233146643 138.905 > 73 99 La 0.37727188267515 0.45698331871927 0.15653233146643 138.905 > 75 100 La 0.37727188267515 0.45698331871927 0.65653233146643 138.905 > 75 101 La 0.07971143604412 0.62272811732485 0.15653233146643 138.905 > 77 102 La 0.07971143604412 0.62272811732485 0.65653233146643 138.905 > 77 103 La 0.12364998538593 0.41304476937745 0.01013433520023 138.905 > 79 104 La 0.12364998538593 0.41304476937745 0.51013433520023 138.905 > 79 105 La 0.28939478399152 0.87635001461407 0.01013433520023 138.905 > 81 106 La 0.28939478399152 0.87635001461407 0.51013433520023 138.905 > 81 107 La 0.58695523062255 0.71060521600848 0.01013433520023 138.905 > 83 108 La 0.58695523062255 0.71060521600848 0.51013433520023 138.905 > 83 109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 109 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 109 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 109 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 109 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7607862 0.0000033 0.0000000 -0.0000033 4.7607862 0.0000000 0.0000000 0.0000000 4.4850686 -------------------------- Born effective charges -------------------------- 1 O -2.9893912 0.2673005 0.1034132 0.2263020 -2.7298405 0.1154706 0.0616564 0.0594795 -2.4984568 2 O -3.0084643 -0.2152901 0.0482939 -0.2562887 -2.7107673 -0.1472938 0.0206825 -0.0831358 -2.4984568 3 O -2.5809920 0.0094874 -0.1517071 -0.0315111 -3.1382397 0.0318232 -0.0823389 0.0236563 -2.4984568 4 O -2.9893912 0.2673005 0.1034132 0.2263020 -2.7298405 0.1154706 0.0616564 0.0594795 -2.4984568 5 O -3.0084643 -0.2152901 0.0482939 -0.2562887 -2.7107673 -0.1472938 0.0206825 -0.0831358 -2.4984568 6 O -2.5809920 0.0094874 -0.1517071 -0.0315111 -3.1382397 0.0318232 -0.0823389 0.0236563 -2.4984568 7 O -3.2414515 -0.1898579 -1.0083353 -0.1517767 -1.5101146 -0.2001311 -0.9880043 -0.1699578 -2.3497726 8 O -2.0908810 0.8160589 0.6774862 0.8541401 -2.6606852 -0.7731784 0.6411899 -0.7706579 -2.3497726 9 O -1.7950168 -0.6833228 0.3308490 -0.6452416 -2.9565494 0.9733095 0.3468144 0.9406157 -2.3497726 10 O -3.2414515 -0.1898579 -1.0083353 -0.1517767 -1.5101146 -0.2001311 -0.9880043 -0.1699578 -2.3497726 11 O -2.0908810 0.8160589 0.6774862 0.8541401 -2.6606852 -0.7731784 0.6411899 -0.7706579 -2.3497726 12 O -1.7950168 -0.6833228 0.3308490 -0.6452416 -2.9565494 0.9733095 0.3468144 0.9406157 -2.3497726 13 La 4.4584626 -0.2914307 0.3805847 -0.2033559 3.9138093 -0.0487810 0.4758866 0.2723223 4.1216499 14 La 4.2642215 0.3155011 -0.2325380 0.4035758 4.1080504 -0.3052055 -0.0021052 -0.5482910 4.1216499 15 La 3.8357237 -0.1561825 -0.1480468 -0.0681077 4.5365482 0.3539865 -0.4737814 0.2759687 4.1216499 16 La 4.4584626 -0.2914307 0.3805847 -0.2033559 3.9138093 -0.0487810 0.4758866 0.2723223 4.1216499 17 La 4.2642215 0.3155011 -0.2325380 0.4035758 4.1080504 -0.3052055 -0.0021052 -0.5482910 4.1216499 18 La 3.8357237 -0.1561825 -0.1480468 -0.0681077 4.5365482 0.3539865 -0.4737814 0.2759687 4.1216499 19 U 6.2955778 0.2554725 0.0000000 -0.2554725 6.2955778 0.0000000 0.0000000 0.0000000 4.3594768 ---------------------------------------------------------------------------- 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[ 13, 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[ 73, 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[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 04:50:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:04]------------------------- Compiled with OpenMP support (max 48 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 5.192519984902570 2.997902811056004 3.301253343333329 b -5.192519984902559 2.997902811056004 3.301253343333329 c 0.000000000000005 -5.995805622112016 3.301253343333329 Atomic positions (fractional): 1 O 0.59293390245778 0.43878831506267 0.17710731114777 15.999 2 O 0.43878831506267 0.17710731114777 0.59293390245778 15.999 3 O 0.17710731114777 0.59293390245778 0.43878831506267 15.999 4 O 0.40706609754222 0.56121168493734 0.82289268885223 15.999 5 O 0.56121168493733 0.82289268885223 0.40706609754222 15.999 6 O 0.82289268885223 0.40706609754222 0.56121168493733 15.999 7 O 0.70289839031789 0.04363134240366 0.93431498814705 15.999 8 O 0.06568501185295 0.29710160968211 0.95636865759635 15.999 9 O 0.95636865759635 0.06568501185295 0.29710160968211 15.999 10 O 0.29710160968211 0.95636865759635 0.06568501185295 15.999 11 O 0.93431498814705 0.70289839031790 0.04363134240365 15.999 12 O 0.04363134240365 0.93431498814705 0.70289839031789 15.999 13 La 0.85608134421360 0.69033654560802 0.39277609897699 138.905 14 La 0.69033654560802 0.39277609897699 0.85608134421360 138.905 15 La 0.39277609897699 0.85608134421360 0.69033654560802 138.905 16 La 0.14391865578640 0.30966345439198 0.60722390102301 138.905 17 La 0.30966345439198 0.60722390102301 0.14391865578640 138.905 18 La 0.60722390102301 0.14391865578640 0.30966345439198 138.905 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.385039969805129 0.000000000000000 0.000000000000000 b -5.192519984902565 8.993708433168020 0.000000000000000 c 0.000000000000000 0.000000000000000 19.807520059999998 Atomic positions (fractional): 1 O 0.18999072623504 0.22583586507497 0.20147158811137 15.999 > 1 2 O 0.18999072623504 0.22583586507497 0.70147158811137 15.999 > 1 3 O 0.03584513883993 0.81000927376496 0.20147158811137 15.999 > 3 4 O 0.03584513883993 0.81000927376496 0.70147158811137 15.999 > 3 5 O 0.77416413492503 0.96415486116007 0.20147158811137 15.999 > 5 6 O 0.77416413492503 0.96415486116007 0.70147158811137 15.999 > 5 7 O 0.81000927376496 0.77416413492503 0.29852841188863 15.999 > 7 8 O 0.81000927376496 0.77416413492503 0.79852841188863 15.999 > 7 9 O 0.96415486116007 0.18999072623504 0.29852841188863 15.999 > 9 10 O 0.96415486116007 0.18999072623504 0.79852841188863 15.999 > 9 11 O 0.22583586507497 0.03584513883993 0.29852841188863 15.999 > 11 12 O 0.22583586507497 0.03584513883993 0.79852841188863 15.999 > 11 13 O 0.14261681669503 0.62596658547581 0.28014078681143 15.999 > 13 14 O 0.14261681669503 0.62596658547581 0.78014078681143 15.999 > 13 15 O 0.62596658547581 0.48334976878079 0.21985921318857 15.999 > 15 16 O 0.62596658547581 0.48334976878079 0.71985921318857 15.999 > 15 17 O 0.51665023121921 0.14261681669503 0.21985921318857 15.999 > 17 18 O 0.51665023121921 0.14261681669503 0.71985921318857 15.999 > 17 19 O 0.85738318330497 0.37403341452418 0.21985921318857 15.999 > 19 20 O 0.85738318330497 0.37403341452418 0.71985921318857 15.999 > 19 21 O 0.37403341452418 0.51665023121921 0.28014078681143 15.999 > 21 22 O 0.37403341452418 0.51665023121921 0.78014078681143 15.999 > 21 23 O 0.48334976878079 0.85738318330497 0.28014078681143 15.999 > 23 24 O 0.48334976878079 0.85738318330497 0.78014078681143 15.999 > 23 25 O 0.85665739290171 0.55916919840830 0.36813825477804 15.999 > 1 26 O 0.85665739290171 0.55916919840830 0.86813825477804 15.999 > 1 27 O 0.70251180550659 0.14334260709829 0.36813825477804 15.999 > 3 28 O 0.70251180550659 0.14334260709829 0.86813825477804 15.999 > 3 29 O 0.44083080159170 0.29748819449340 0.36813825477804 15.999 > 5 30 O 0.44083080159170 0.29748819449340 0.86813825477804 15.999 > 5 31 O 0.47667594043163 0.10749746825836 0.46519507855530 15.999 > 7 32 O 0.47667594043163 0.10749746825836 0.96519507855530 15.999 > 7 33 O 0.63082152782674 0.52332405956837 0.46519507855530 15.999 > 9 34 O 0.63082152782674 0.52332405956837 0.96519507855530 15.999 > 9 35 O 0.89250253174164 0.36917847217326 0.46519507855530 15.999 > 11 36 O 0.89250253174164 0.36917847217326 0.96519507855530 15.999 > 11 37 O 0.80928348336169 0.95929991880915 0.44680745347810 15.999 > 13 38 O 0.80928348336169 0.95929991880915 0.94680745347810 15.999 > 13 39 O 0.29263325214248 0.81668310211412 0.38652587985523 15.999 > 15 40 O 0.29263325214248 0.81668310211412 0.88652587985523 15.999 > 15 41 O 0.18331689788588 0.47595015002836 0.38652587985523 15.999 > 17 42 O 0.18331689788588 0.47595015002836 0.88652587985523 15.999 > 17 43 O 0.52404984997164 0.70736674785752 0.38652587985523 15.999 > 19 44 O 0.52404984997164 0.70736674785752 0.88652587985523 15.999 > 19 45 O 0.04070008119085 0.84998356455255 0.44680745347810 15.999 > 21 46 O 0.04070008119085 0.84998356455255 0.94680745347810 15.999 > 21 47 O 0.15001643544745 0.19071651663831 0.44680745347810 15.999 > 23 48 O 0.15001643544745 0.19071651663831 0.94680745347810 15.999 > 23 49 O 0.52332405956837 0.89250253174164 0.03480492144470 15.999 > 1 50 O 0.52332405956837 0.89250253174164 0.53480492144470 15.999 > 1 51 O 0.36917847217326 0.47667594043163 0.03480492144470 15.999 > 3 52 O 0.36917847217326 0.47667594043163 0.53480492144470 15.999 > 3 53 O 0.10749746825836 0.63082152782674 0.03480492144470 15.999 > 5 54 O 0.10749746825836 0.63082152782674 0.53480492144470 15.999 > 5 55 O 0.14334260709829 0.44083080159170 0.13186174522196 15.999 > 7 56 O 0.14334260709829 0.44083080159170 0.63186174522196 15.999 > 7 57 O 0.29748819449340 0.85665739290171 0.13186174522196 15.999 > 9 58 O 0.29748819449340 0.85665739290171 0.63186174522196 15.999 > 9 59 O 0.55916919840830 0.70251180550659 0.13186174522196 15.999 > 11 60 O 0.55916919840830 0.70251180550659 0.63186174522196 15.999 > 11 61 O 0.47595015002836 0.29263325214248 0.11347412014477 15.999 > 13 62 O 0.47595015002836 0.29263325214248 0.61347412014477 15.999 > 13 63 O 0.95929991880915 0.15001643544745 0.05319254652190 15.999 > 15 64 O 0.95929991880915 0.15001643544745 0.55319254652190 15.999 > 15 65 O 0.84998356455255 0.80928348336169 0.05319254652190 15.999 > 17 66 O 0.84998356455255 0.80928348336169 0.55319254652190 15.999 > 17 67 O 0.19071651663831 0.04070008119085 0.05319254652190 15.999 > 19 68 O 0.19071651663831 0.04070008119085 0.55319254652190 15.999 > 19 69 O 0.70736674785752 0.18331689788588 0.11347412014477 15.999 > 21 70 O 0.70736674785752 0.18331689788588 0.61347412014477 15.999 > 21 71 O 0.81668310211412 0.52404984997164 0.11347412014477 15.999 > 23 72 O 0.81668310211412 0.52404984997164 0.61347412014477 15.999 > 23 73 La 0.20968334794740 0.25362189728921 0.32319899813310 138.905 > 73 74 La 0.20968334794740 0.25362189728921 0.82319899813310 138.905 > 73 75 La 0.04393854934181 0.79031665205260 0.32319899813310 138.905 > 75 76 La 0.04393854934181 0.79031665205260 0.82319899813310 138.905 > 75 77 La 0.74637810271079 0.95606145065819 0.32319899813310 138.905 > 77 78 La 0.74637810271079 0.95606145065819 0.82319899813310 138.905 > 77 79 La 0.79031665205260 0.74637810271079 0.17680100186690 138.905 > 79 80 La 0.79031665205260 0.74637810271079 0.67680100186690 138.905 > 79 81 La 0.95606145065819 0.20968334794740 0.17680100186690 138.905 > 81 82 La 0.95606145065819 0.20968334794740 0.67680100186690 138.905 > 81 83 La 0.25362189728921 0.04393854934181 0.17680100186690 138.905 > 83 84 La 0.25362189728921 0.04393854934181 0.67680100186690 138.905 > 83 85 La 0.87635001461407 0.58695523062255 0.48986566479977 138.905 > 73 86 La 0.87635001461407 0.58695523062255 0.98986566479977 138.905 > 73 87 La 0.71060521600848 0.12364998538593 0.48986566479977 138.905 > 75 88 La 0.71060521600848 0.12364998538593 0.98986566479977 138.905 > 75 89 La 0.41304476937745 0.28939478399152 0.48986566479977 138.905 > 77 90 La 0.41304476937745 0.28939478399152 0.98986566479977 138.905 > 77 91 La 0.45698331871927 0.07971143604412 0.34346766853357 138.905 > 79 92 La 0.45698331871927 0.07971143604412 0.84346766853357 138.905 > 79 93 La 0.62272811732485 0.54301668128073 0.34346766853357 138.905 > 81 94 La 0.62272811732485 0.54301668128073 0.84346766853357 138.905 > 81 95 La 0.92028856395588 0.37727188267515 0.34346766853357 138.905 > 83 96 La 0.92028856395588 0.37727188267515 0.84346766853357 138.905 > 83 97 La 0.54301668128073 0.92028856395588 0.15653233146643 138.905 > 73 98 La 0.54301668128073 0.92028856395588 0.65653233146643 138.905 > 73 99 La 0.37727188267515 0.45698331871927 0.15653233146643 138.905 > 75 100 La 0.37727188267515 0.45698331871927 0.65653233146643 138.905 > 75 101 La 0.07971143604412 0.62272811732485 0.15653233146643 138.905 > 77 102 La 0.07971143604412 0.62272811732485 0.65653233146643 138.905 > 77 103 La 0.12364998538593 0.41304476937745 0.01013433520023 138.905 > 79 104 La 0.12364998538593 0.41304476937745 0.51013433520023 138.905 > 79 105 La 0.28939478399152 0.87635001461407 0.01013433520023 138.905 > 81 106 La 0.28939478399152 0.87635001461407 0.51013433520023 138.905 > 81 107 La 0.58695523062255 0.71060521600848 0.01013433520023 138.905 > 83 108 La 0.58695523062255 0.71060521600848 0.51013433520023 138.905 > 83 109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 109 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 109 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 109 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 109 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7607862 0.0000033 0.0000000 -0.0000033 4.7607862 0.0000000 0.0000000 0.0000000 4.4850686 -------------------------- Born effective charges -------------------------- 1 O -2.9893912 0.2673005 0.1034132 0.2263020 -2.7298405 0.1154706 0.0616564 0.0594795 -2.4984568 2 O -3.0084643 -0.2152901 0.0482939 -0.2562887 -2.7107673 -0.1472938 0.0206825 -0.0831358 -2.4984568 3 O -2.5809920 0.0094874 -0.1517071 -0.0315111 -3.1382397 0.0318232 -0.0823389 0.0236563 -2.4984568 4 O -2.9893912 0.2673005 0.1034132 0.2263020 -2.7298405 0.1154706 0.0616564 0.0594795 -2.4984568 5 O -3.0084643 -0.2152901 0.0482939 -0.2562887 -2.7107673 -0.1472938 0.0206825 -0.0831358 -2.4984568 6 O -2.5809920 0.0094874 -0.1517071 -0.0315111 -3.1382397 0.0318232 -0.0823389 0.0236563 -2.4984568 7 O -3.2414515 -0.1898579 -1.0083353 -0.1517767 -1.5101146 -0.2001311 -0.9880043 -0.1699578 -2.3497726 8 O -2.0908810 0.8160589 0.6774862 0.8541401 -2.6606852 -0.7731784 0.6411899 -0.7706579 -2.3497726 9 O -1.7950168 -0.6833228 0.3308490 -0.6452416 -2.9565494 0.9733095 0.3468144 0.9406157 -2.3497726 10 O -3.2414515 -0.1898579 -1.0083353 -0.1517767 -1.5101146 -0.2001311 -0.9880043 -0.1699578 -2.3497726 11 O -2.0908810 0.8160589 0.6774862 0.8541401 -2.6606852 -0.7731784 0.6411899 -0.7706579 -2.3497726 12 O -1.7950168 -0.6833228 0.3308490 -0.6452416 -2.9565494 0.9733095 0.3468144 0.9406157 -2.3497726 13 La 4.4584626 -0.2914307 0.3805847 -0.2033559 3.9138093 -0.0487810 0.4758866 0.2723223 4.1216499 14 La 4.2642215 0.3155011 -0.2325380 0.4035758 4.1080504 -0.3052055 -0.0021052 -0.5482910 4.1216499 15 La 3.8357237 -0.1561825 -0.1480468 -0.0681077 4.5365482 0.3539865 -0.4737814 0.2759687 4.1216499 16 La 4.4584626 -0.2914307 0.3805847 -0.2033559 3.9138093 -0.0487810 0.4758866 0.2723223 4.1216499 17 La 4.2642215 0.3155011 -0.2325380 0.4035758 4.1080504 -0.3052055 -0.0021052 -0.5482910 4.1216499 18 La 3.8357237 -0.1561825 -0.1480468 -0.0681077 4.5365482 0.3539865 -0.4737814 0.2759687 4.1216499 19 U 6.2955778 0.2554725 0.0000000 -0.2554725 6.2955778 0.0000000 0.0000000 0.0000000 4.3594768 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- 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: 0.61, 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 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 2.735 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.744 ( 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 4.871 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.593 ( 0.000 0.000 0.000) 0.000 8.593 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 10.173 ( 0.000 0.000 0.000) 0.000 10.173 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.474 ( 0.000 0.000 0.000) 0.000 16.193 ( 0.000 0.000 0.000) 0.000 16.193 ( 0.000 0.000 0.000) 0.000 20.568 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 11.445 11.496 21.163) 26.665 0.574 ( 18.654 10.529 21.195) 30.134 0.958 ( 31.323 15.664 36.027) 50.243 2.677 ( -4.791 -0.087 -3.940) 6.204 2.756 ( 1.556 -2.062 1.278) 2.882 3.092 ( -1.667 -1.832 -6.811) 7.248 3.230 ( -7.571 -2.656 -2.652) 8.451 3.269 ( -1.578 -2.277 -1.296) 3.058 3.389 ( -2.091 -0.271 -6.685) 7.009 3.541 ( -6.394 -2.328 -6.636) 9.505 3.646 ( 0.727 -3.217 1.076) 3.469 3.738 ( 2.710 3.670 2.591) 5.246 3.908 ( -0.150 0.218 11.187) 11.190 4.174 ( -1.325 4.611 0.357) 4.811 4.307 ( 4.929 -2.794 -6.648) 8.735 4.878 ( 3.067 1.519 -5.132) 6.168 5.142 ( -1.726 -0.066 -7.446) 7.644 5.213 ( 2.782 1.745 -8.677) 9.277 5.377 ( -6.886 -5.345 3.139) 9.265 5.514 ( 2.421 3.930 3.466) 5.773 5.558 ( 5.281 1.741 7.724) 9.518 6.449 ( -6.553 -5.413 -5.954) 10.377 6.543 ( -1.101 0.216 -2.193) 2.463 6.745 ( -3.165 -6.785 -0.902) 7.541 6.912 ( -3.931 9.422 -0.437) 10.219 7.039 ( 8.629 -0.588 2.271) 8.942 7.573 ( -16.115 -8.243 28.446) 33.717 8.201 ( -6.139 -3.060 -2.017) 7.150 8.245 ( 3.146 -3.615 -4.119) 6.319 8.433 ( -0.289 1.364 -11.770) 11.853 8.552 ( -1.691 -5.935 -0.297) 6.178 8.687 ( -2.705 3.197 -2.658) 4.960 8.909 ( -16.591 -1.963 1.044) 16.739 8.912 ( -5.803 -0.431 11.948) 13.289 9.150 ( 7.193 -17.707 7.401) 20.495 9.227 ( -0.999 3.788 -0.519) 3.951 9.327 ( 8.422 13.338 0.170) 15.775 9.375 ( 10.624 2.852 -1.642) 11.122 10.079 ( -2.220 0.489 0.286) 2.291 10.169 ( -1.476 1.481 0.104) 2.093 10.211 ( -5.951 -10.743 8.624) 15.007 10.255 ( -5.541 1.091 4.474) 7.205 10.641 ( 13.319 5.329 -11.439) 18.348 10.690 ( 9.692 3.325 -5.430) 11.596 11.613 ( 19.293 14.873 -19.314) 31.088 12.391 ( -11.291 -4.159 -1.583) 12.137 12.875 ( -9.935 -10.600 -7.898) 16.536 13.083 ( -4.448 -2.459 4.681) 6.910 13.266 ( -15.939 -7.359 33.869) 38.149 14.091 ( 2.377 4.434 7.329) 8.889 14.699 ( 11.352 5.813 -11.626) 17.257 15.300 ( -5.788 6.505 -8.381) 12.086 15.408 ( 15.926 -4.991 -8.974) 18.950 16.188 ( -4.372 -0.481 3.461) 5.597 16.279 ( 0.924 -3.023 12.563) 12.954 17.958 ( 19.153 16.376 -31.814) 40.585 20.568 ( -0.123 -0.072 0.096) 0.172 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 11.422 13.128 20.091) 26.579 1.123 ( 17.317 9.172 20.356) 28.255 1.851 ( 26.835 11.593 32.294) 43.559 2.546 ( -4.079 -1.507 -5.480) 6.996 2.712 ( -3.577 -3.886 -4.002) 6.627 2.909 ( -4.614 -4.977 -13.954) 15.517 3.070 ( -7.440 -3.254 -1.670) 8.290 3.185 ( -5.216 0.425 -5.849) 7.849 3.324 ( -3.919 3.059 1.767) 5.277 3.380 ( 1.075 -0.484 -7.303) 7.397 3.668 ( 2.835 -1.693 0.195) 3.308 3.848 ( 0.492 2.541 7.037) 7.498 3.985 ( -2.530 -2.538 4.392) 5.669 4.206 ( 2.554 -4.788 0.994) 5.517 4.250 ( -1.174 1.326 -2.688) 3.219 4.738 ( -6.843 -3.476 -13.035) 15.127 5.055 ( 0.659 1.797 -4.900) 5.261 5.183 ( 2.794 6.134 -7.511) 10.092 5.320 ( -3.155 -6.316 6.148) 9.362 5.632 ( 3.666 2.338 4.902) 6.553 5.718 ( 3.100 2.123 6.573) 7.571 6.241 ( -6.093 -6.645 -6.093) 10.882 6.478 ( -3.052 -1.574 -3.180) 4.680 6.684 ( -0.517 -3.150 0.028) 3.193 6.898 ( -4.546 9.507 -3.941) 11.250 7.112 ( 1.908 -2.203 0.903) 3.051 7.711 ( -1.103 -2.339 13.410) 13.657 8.083 ( -3.933 -3.284 -1.124) 5.246 8.211 ( 4.831 -3.880 -3.835) 7.287 8.308 ( -1.930 1.181 -7.962) 8.277 8.496 ( -0.316 -6.719 0.521) 6.747 8.594 ( -6.649 2.650 -3.423) 7.934 8.722 ( -12.508 -0.475 -0.912) 12.550 9.002 ( 4.315 -0.077 2.415) 4.946 9.211 ( 3.821 -13.837 7.780) 16.328 9.234 ( 0.253 3.701 -1.213) 3.903 9.446 ( 3.747 11.241 -4.982) 12.854 9.538 ( 9.846 4.325 1.253) 10.827 10.012 ( -7.666 -2.169 -0.161) 7.969 10.137 ( -5.624 -8.386 5.762) 11.625 10.255 ( -1.346 0.613 3.500) 3.800 10.296 ( 0.329 1.783 11.532) 11.674 10.582 ( -0.705 -1.990 -3.815) 4.360 10.876 ( 18.622 4.789 -4.818) 19.823 11.724 ( 5.974 12.423 -2.810) 14.068 12.149 ( -17.413 -1.260 -5.198) 18.216 12.567 ( -1.283 -19.361 -11.925) 22.775 13.073 ( -3.673 -0.090 2.896) 4.679 13.476 ( -4.674 8.720 17.622) 20.209 14.234 ( 5.419 -2.400 5.710) 8.230 14.712 ( 3.359 1.817 -6.587) 7.614 15.154 ( -5.174 7.437 -8.480) 12.409 15.494 ( 19.339 -3.916 -7.571) 21.134 16.168 ( -8.248 -0.573 6.071) 10.258 16.444 ( 0.848 -6.127 15.554) 16.738 17.880 ( 6.034 12.234 -19.848) 24.084 20.567 ( -0.172 -0.102 0.145) 0.247 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 10.380 15.317 17.458) 25.439 1.624 ( 15.308 6.801 18.814) 25.190 2.229 ( -2.130 -11.394 -2.519) 11.862 2.447 ( -11.168 -6.219 -8.409) 15.301 2.668 ( -3.088 -1.612 -9.455) 10.076 2.793 ( 15.977 9.084 15.396) 23.976 2.904 ( -2.412 2.534 -4.605) 5.783 3.064 ( -3.810 0.744 -2.665) 4.709 3.348 ( -1.993 1.912 1.907) 3.356 3.433 ( 6.662 4.665 5.219) 9.664 3.669 ( 2.963 -2.904 -4.908) 6.426 3.882 ( -3.514 -7.005 -1.654) 8.010 3.984 ( -6.808 6.099 8.542) 12.510 4.144 ( -2.400 -6.850 -3.389) 8.010 4.207 ( -0.617 -7.113 -7.219) 10.154 4.474 ( -5.016 1.723 -6.974) 8.762 5.039 ( 0.148 3.117 -1.970) 3.690 5.143 ( 0.801 0.880 -5.022) 5.162 5.368 ( 1.470 -1.685 4.863) 5.353 5.700 ( 0.359 -2.960 0.877) 3.108 5.842 ( 0.862 6.082 5.735) 8.404 6.104 ( 0.354 -4.359 -3.374) 5.524 6.379 ( -4.281 -2.681 -2.306) 5.553 6.678 ( 0.304 -1.432 1.196) 1.891 6.849 ( -3.521 7.022 -4.537) 9.072 7.097 ( -0.500 -1.861 -1.265) 2.305 7.794 ( -0.228 -2.279 3.365) 4.071 8.057 ( -0.080 -1.937 2.453) 3.127 8.192 ( 0.722 -2.679 -5.025) 5.740 8.248 ( 3.074 0.727 1.224) 3.387 8.437 ( -2.795 -3.449 -1.571) 4.709 8.520 ( -3.584 0.822 -0.596) 3.725 8.601 ( -5.227 1.035 -1.015) 5.424 9.063 ( 3.785 0.700 -0.958) 3.967 9.241 ( 2.591 -10.358 4.684) 11.659 9.255 ( 0.511 3.884 -1.159) 4.086 9.502 ( 4.824 9.949 -4.424) 11.909 9.659 ( 2.227 1.905 2.470) 3.833 9.885 ( -8.118 -4.883 -0.284) 9.478 10.082 ( -3.496 -4.378 2.141) 5.998 10.278 ( -1.443 1.134 2.255) 2.907 10.489 ( 3.043 1.560 10.417) 10.964 10.529 ( -0.021 -2.506 -1.319) 2.832 11.046 ( 13.256 2.083 -3.206) 13.796 11.847 ( -4.029 10.110 2.193) 11.102 11.878 ( -10.564 5.287 -4.984) 12.821 12.294 ( 1.363 -21.181 -8.601) 22.901 13.067 ( -1.993 0.693 1.202) 2.428 13.694 ( -2.791 12.051 11.069) 16.599 14.330 ( 12.704 -13.489 1.492) 18.589 14.610 ( -9.640 5.903 -6.341) 12.961 15.105 ( 0.058 5.385 -2.611) 5.985 15.602 ( 15.401 -1.762 -6.366) 16.758 16.137 ( -8.424 -0.297 5.751) 10.205 16.583 ( 0.556 -6.014 11.041) 12.585 17.789 ( 1.487 8.323 -12.117) 14.775 20.566 ( -0.119 -0.072 0.110) 0.177 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 -0.000 -0.000) 0.000 1.997 ( -0.000 0.000 -0.000) 0.000 2.039 ( 0.000 -0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.464 ( -0.000 -0.000 -0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 -0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.101 ( -0.000 0.000 0.000) 0.000 4.103 ( 0.000 -0.000 -0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 5.040 ( -0.000 0.000 0.000) 0.000 5.114 ( 0.000 -0.000 -0.000) 0.000 5.408 ( 0.000 -0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 -0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 -0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 -0.000 0.000) 0.000 9.265 ( -0.000 0.000 -0.000) 0.000 9.568 ( 0.000 -0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.792 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 -0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.134 ( 0.000 -0.000 -0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 14.393 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 -0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 16.119 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 -0.000) 0.000 17.747 ( 0.000 0.000 0.000) 0.000 20.566 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 3.365 7.366 24.509) 25.813 0.873 ( -1.493 18.791 23.456) 30.092 1.521 ( -0.947 19.818 46.980) 50.998 2.612 ( 0.447 -7.877 -4.291) 8.981 2.795 ( -0.914 4.435 1.125) 4.665 2.980 ( -0.268 -2.644 -11.953) 12.244 3.173 ( 2.019 -5.233 -8.869) 10.494 3.256 ( -2.364 -4.329 -6.027) 7.788 3.268 ( 1.490 0.091 -2.235) 2.688 3.482 ( 0.570 -3.866 -6.776) 7.822 3.594 ( 0.098 -0.670 -3.715) 3.776 3.806 ( -0.655 -1.471 10.109) 10.236 4.035 ( 0.905 0.561 6.628) 6.713 4.160 ( 0.063 -4.525 -0.710) 4.580 4.278 ( -1.554 5.305 0.843) 5.592 4.802 ( -0.318 2.984 -8.092) 8.630 5.022 ( -0.848 -3.720 -8.397) 9.223 5.111 ( 2.556 4.446 -8.388) 9.831 5.462 ( -2.046 -2.720 3.168) 4.650 5.525 ( 1.494 -3.427 6.851) 7.805 5.682 ( -0.285 8.116 7.394) 10.983 6.400 ( -1.967 -4.652 -5.816) 7.703 6.458 ( 0.392 -3.399 -6.475) 7.323 6.682 ( 0.308 -5.689 -3.672) 6.778 6.929 ( 4.622 -2.218 1.015) 5.226 7.091 ( -2.615 7.268 3.568) 8.509 7.838 ( 1.241 -16.735 15.445) 22.806 8.126 ( -1.473 -2.039 -5.487) 6.036 8.207 ( -3.170 -4.817 -3.809) 6.910 8.298 ( 1.737 1.794 -9.445) 9.770 8.524 ( -3.494 -5.784 -2.946) 7.372 8.688 ( 6.199 8.166 -4.036) 11.018 8.855 ( -1.469 -14.012 -1.033) 14.126 9.085 ( 9.306 -1.642 -1.134) 9.517 9.137 ( -1.123 -10.459 9.561) 14.215 9.197 ( -12.430 4.550 0.880) 13.265 9.315 ( -1.795 3.057 -1.196) 3.742 9.468 ( 3.449 12.240 2.654) 12.990 10.102 ( -0.378 -4.551 4.123) 6.153 10.144 ( 1.942 -3.732 0.640) 4.255 10.251 ( -1.109 -7.569 6.187) 9.838 10.426 ( -0.263 -1.253 10.275) 10.354 10.565 ( -2.087 16.179 -2.632) 16.524 10.638 ( -1.181 9.428 -3.854) 10.254 11.537 ( 3.676 21.238 -1.616) 21.615 12.344 ( 4.289 -16.416 -4.247) 17.490 12.741 ( -10.902 -6.774 -14.028) 19.014 13.045 ( 5.156 10.129 -7.792) 13.780 13.595 ( 3.566 -34.559 22.508) 41.396 13.997 ( -2.921 -7.101 2.608) 8.109 14.716 ( 0.317 30.128 -7.324) 31.007 15.127 ( 5.272 -4.735 -6.464) 9.591 15.332 ( -6.785 10.284 -7.561) 14.455 16.265 ( 2.348 -9.407 9.695) 13.711 16.567 ( -5.089 10.176 18.024) 21.315 17.612 ( 4.981 16.213 -20.148) 26.337 20.569 ( 0.000 -0.188 0.080) 0.204 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 11.645 6.590 23.071) 26.670 1.313 ( 5.676 18.304 20.558) 28.105 2.219 ( 2.673 9.105 31.984) 33.363 2.498 ( 0.264 -1.488 2.160) 2.636 2.732 ( -6.170 -5.087 -10.370) 13.095 2.798 ( -6.715 2.102 -4.629) 8.422 3.047 ( 2.702 -1.362 -10.566) 10.990 3.138 ( -6.838 2.005 -4.569) 8.465 3.249 ( 6.311 -2.327 -7.344) 9.958 3.370 ( -1.753 -2.742 2.364) 4.022 3.597 ( 4.449 -3.525 -2.039) 6.031 3.905 ( -0.207 -3.831 7.604) 8.517 4.098 ( 0.804 -8.460 -0.794) 8.535 4.113 ( -1.225 1.763 5.599) 5.996 4.290 ( -3.177 2.213 -1.149) 4.038 4.659 ( -6.295 2.543 -11.557) 13.404 4.896 ( 3.703 -4.394 -9.063) 10.731 5.120 ( 5.625 7.024 -4.857) 10.226 5.427 ( -6.312 -3.669 5.679) 9.250 5.627 ( 4.857 -3.275 4.364) 7.305 5.825 ( 0.446 8.433 5.438) 10.044 6.194 ( -7.440 -7.483 -6.288) 12.284 6.392 ( 2.969 -3.115 -6.025) 7.404 6.646 ( 2.441 -2.155 -1.554) 3.608 6.935 ( -1.167 -1.032 -0.515) 1.641 7.137 ( -2.028 1.623 1.804) 3.162 7.861 ( -4.648 -10.298 7.953) 13.817 8.064 ( -0.676 -3.627 -3.142) 4.846 8.099 ( 2.428 -1.702 0.053) 2.966 8.252 ( -0.531 2.993 -4.840) 5.715 8.457 ( 1.315 -2.573 -0.909) 3.029 8.629 ( -6.885 1.102 -5.756) 9.042 8.789 ( 0.847 -3.767 -2.734) 4.731 9.014 ( -8.785 -0.395 0.451) 8.805 9.136 ( 3.992 -5.442 1.175) 6.850 9.240 ( 2.051 -0.206 2.958) 3.605 9.380 ( 7.701 3.812 -1.000) 8.651 9.574 ( 0.264 10.500 0.115) 10.504 10.063 ( -6.351 -4.574 1.247) 7.925 10.153 ( 2.123 -9.185 2.280) 9.699 10.290 ( 0.968 -3.819 4.736) 6.161 10.473 ( -3.165 -1.080 4.241) 5.401 10.572 ( -3.830 0.796 4.809) 6.200 10.776 ( 6.033 14.092 1.325) 15.386 11.760 ( 7.881 20.364 0.209) 21.837 12.189 ( 2.252 -20.466 -5.415) 21.290 12.344 ( -16.989 -4.073 -11.593) 20.967 13.076 ( 2.647 7.650 -6.516) 10.392 13.710 ( 3.020 -8.248 15.689) 17.980 13.953 ( 9.526 -16.918 -5.440) 20.163 14.743 ( -1.643 7.688 -7.152) 10.628 15.171 ( -0.341 14.284 -6.496) 15.696 15.299 ( 5.063 5.624 3.213) 8.221 16.336 ( -1.749 -9.884 10.792) 14.738 16.702 ( -14.557 5.291 14.789) 21.415 17.606 ( 13.837 11.616 -17.197) 24.943 20.567 ( -0.004 -0.277 -0.039) 0.280 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 11.851 7.815 20.831) 25.208 1.742 ( 6.685 12.139 15.355) 20.684 2.158 ( -7.531 -9.807 -5.395) 13.490 2.397 ( -11.138 -6.345 -15.359) 20.005 2.697 ( -6.357 2.658 -0.233) 6.894 2.867 ( -5.595 -0.207 -1.284) 5.744 2.967 ( -0.217 7.119 1.657) 7.312 3.083 ( 7.523 9.901 11.698) 17.072 3.267 ( 10.138 -3.319 -1.469) 10.768 3.462 ( 4.788 0.492 5.043) 6.971 3.574 ( 1.646 -5.503 -0.574) 5.772 3.903 ( -4.056 -4.379 1.447) 6.142 4.037 ( 0.112 -4.064 -5.043) 6.478 4.137 ( -10.647 -8.942 -5.584) 14.984 4.202 ( -3.124 5.067 7.952) 9.933 4.489 ( -4.366 5.634 -5.806) 9.193 4.826 ( 9.159 -7.391 -7.780) 14.108 5.190 ( 2.481 8.787 -1.493) 9.252 5.415 ( -3.205 -3.897 4.996) 7.101 5.676 ( 1.752 -3.728 0.910) 4.219 5.922 ( -0.045 5.245 -1.141) 5.368 6.042 ( -0.545 -0.461 -1.461) 1.626 6.316 ( 1.064 -4.461 -5.473) 7.141 6.651 ( 2.680 -3.106 -0.325) 4.115 6.897 ( -4.023 -0.168 0.754) 4.096 7.123 ( -3.519 -1.872 3.032) 5.009 7.815 ( -1.894 -5.386 1.259) 5.847 8.057 ( 3.079 -1.920 0.718) 3.699 8.136 ( 0.918 -1.125 1.457) 2.057 8.225 ( 1.627 1.404 -0.146) 2.154 8.427 ( -3.238 -2.162 -2.433) 4.591 8.521 ( -0.527 1.439 -4.165) 4.438 8.695 ( -8.305 1.837 -0.817) 8.545 9.000 ( 4.098 0.415 -0.261) 4.128 9.174 ( 5.282 -6.792 2.526) 8.967 9.280 ( -0.208 4.338 -0.114) 4.344 9.468 ( 4.011 7.843 -2.747) 9.228 9.647 ( 4.257 2.037 0.090) 4.721 9.936 ( -8.666 -6.666 -0.395) 10.940 10.105 ( -3.237 -5.862 0.027) 6.696 10.321 ( 0.822 -1.485 1.769) 2.452 10.462 ( 1.766 -3.087 -1.510) 3.863 10.626 ( -3.594 2.124 6.009) 7.317 10.954 ( 6.950 6.655 3.439) 10.219 11.972 ( -0.078 -0.942 0.233) 0.973 12.021 ( -1.379 -2.068 -2.067) 3.233 12.032 ( -7.229 2.534 -5.028) 9.163 13.053 ( 1.299 3.848 -6.605) 7.754 13.779 ( 1.001 -8.181 -7.711) 11.287 14.000 ( 17.866 -9.827 8.820) 22.216 14.638 ( -2.124 -2.484 -7.768) 8.427 15.167 ( -4.022 12.068 -1.635) 12.825 15.537 ( 7.398 12.531 7.673) 16.450 16.336 ( -9.342 -7.531 8.501) 14.706 16.690 ( -8.828 1.568 2.947) 9.438 17.653 ( 8.565 5.943 -6.337) 12.200 20.564 ( 0.105 -0.285 -0.204) 0.366 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -11.906 -13.027 -9.498) 20.042 1.947 ( -9.462 -4.454 -11.134) 15.276 2.156 ( 8.190 8.105 11.048) 15.963 2.204 ( 2.599 11.152 10.558) 15.575 2.677 ( -4.908 4.414 5.173) 8.387 2.781 ( 0.049 1.946 -0.072) 1.948 2.962 ( 2.430 0.459 -1.365) 2.825 3.210 ( 6.237 -5.671 -4.602) 9.604 3.348 ( -10.226 -9.733 -9.115) 16.804 3.558 ( 0.102 3.243 3.408) 4.705 3.688 ( 0.376 5.182 9.381) 10.724 3.783 ( 4.486 -9.019 -5.363) 11.412 3.861 ( -5.360 0.834 1.709) 5.687 4.048 ( 0.762 2.958 2.740) 4.103 4.296 ( -4.042 5.903 6.335) 9.556 4.443 ( -0.228 1.859 -2.379) 3.028 4.822 ( 11.575 -10.477 -2.687) 15.842 5.254 ( -2.006 8.400 1.681) 8.799 5.396 ( -1.599 -4.317 0.365) 4.618 5.682 ( 1.280 0.622 0.636) 1.559 5.861 ( -0.561 -1.707 -6.747) 6.982 6.111 ( 1.879 6.824 1.724) 7.285 6.244 ( 4.174 -4.295 -4.225) 7.330 6.649 ( 2.472 -4.650 -0.624) 5.303 6.866 ( -4.228 -2.790 4.258) 6.618 7.131 ( -3.114 -0.799 6.158) 6.947 7.792 ( 0.288 -1.336 0.154) 1.375 8.076 ( -0.053 0.515 -0.506) 0.724 8.158 ( 1.712 -0.351 1.645) 2.400 8.294 ( 2.145 0.910 1.610) 2.832 8.340 ( 1.110 -2.148 -2.627) 3.571 8.484 ( 0.069 3.007 -3.652) 4.731 8.624 ( -6.079 1.186 1.049) 6.282 9.067 ( 4.126 2.104 -0.013) 4.632 9.219 ( 3.084 -5.711 2.290) 6.882 9.304 ( -1.224 7.968 -0.526) 8.079 9.524 ( 3.465 3.309 -2.873) 5.586 9.699 ( 4.361 -1.742 0.291) 4.705 9.763 ( -7.243 -7.471 -2.156) 10.627 10.043 ( -0.510 0.639 -2.275) 2.418 10.324 ( -2.510 -1.173 1.169) 3.007 10.456 ( 3.991 -2.045 -2.098) 4.951 10.600 ( -4.096 1.354 -4.692) 6.373 11.139 ( 5.844 1.879 8.557) 10.531 11.822 ( -11.547 -4.176 0.770) 12.303 11.853 ( -0.354 -9.682 -0.715) 9.714 12.255 ( 5.604 20.445 3.720) 21.523 13.006 ( 3.000 1.318 -7.546) 8.227 13.586 ( 4.611 -16.654 -12.783) 21.495 14.262 ( 13.735 -4.617 2.669) 14.734 14.521 ( -1.091 -0.289 0.134) 1.137 15.188 ( -5.069 8.158 1.410) 9.707 15.802 ( 2.652 12.548 10.015) 16.272 16.211 ( -14.865 -6.385 2.894) 16.435 16.607 ( -2.206 4.371 -8.669) 9.957 17.741 ( 4.527 -1.945 5.887) 7.677 20.561 ( 0.262 -0.211 -0.320) 0.464 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -15.876 -12.668 -12.644) 23.924 1.528 ( -16.746 -5.588 -17.640) 24.957 2.339 ( -6.373 7.778 1.392) 10.151 2.523 ( 7.627 10.478 11.805) 17.531 2.810 ( -14.252 -3.606 -5.998) 15.878 2.817 ( 1.879 4.962 12.818) 13.873 2.948 ( -4.527 -0.684 0.235) 4.585 3.005 ( 3.980 -2.369 0.772) 4.695 3.184 ( 7.408 -7.443 -5.798) 11.995 3.426 ( -1.812 -5.743 -0.038) 6.022 3.726 ( 2.915 -1.338 -8.609) 9.187 3.787 ( -1.823 -5.761 1.757) 6.292 3.954 ( 2.273 9.634 2.947) 10.328 4.181 ( 3.755 5.386 0.781) 6.612 4.307 ( -4.031 -1.195 0.589) 4.245 4.539 ( 6.307 8.305 9.264) 13.949 4.889 ( 11.437 -10.775 2.556) 15.920 5.303 ( -5.024 3.332 5.586) 8.219 5.328 ( -1.066 -0.216 -4.733) 4.856 5.711 ( -2.491 1.450 -2.476) 3.799 5.748 ( 0.583 -1.196 -4.608) 4.796 6.169 ( 0.612 3.497 1.924) 4.038 6.292 ( 10.643 0.549 -2.279) 10.898 6.637 ( 2.957 -4.380 -1.016) 5.382 6.868 ( -2.465 -5.885 7.017) 9.484 7.174 ( -3.711 1.583 5.764) 7.036 7.784 ( -2.394 0.329 -1.307) 2.747 8.045 ( -2.159 3.303 -4.191) 5.756 8.185 ( 5.600 -4.083 -1.267) 7.045 8.308 ( -0.144 2.390 4.326) 4.944 8.413 ( 6.867 -3.207 2.802) 8.081 8.489 ( 0.540 7.910 -2.319) 8.261 8.594 ( -1.168 0.890 0.909) 1.726 9.086 ( -1.680 -2.506 0.055) 3.018 9.218 ( 0.610 1.588 -3.460) 3.856 9.328 ( -4.854 4.174 0.653) 6.435 9.523 ( 2.654 -3.775 1.303) 4.795 9.626 ( -2.910 -4.306 -2.458) 5.749 9.784 ( 9.152 0.757 -1.220) 9.264 10.036 ( 2.114 2.496 -2.850) 4.339 10.278 ( -4.314 -1.136 -0.200) 4.465 10.390 ( -4.260 -0.147 -9.418) 10.337 10.538 ( 3.234 0.196 -0.756) 3.327 11.265 ( -8.588 -1.236 9.551) 12.903 11.752 ( 3.029 -2.478 1.851) 4.330 11.843 ( 1.392 -1.596 5.634) 6.019 12.513 ( 4.989 18.954 4.620) 20.137 12.959 ( 5.376 -0.763 -7.977) 9.649 13.349 ( 4.492 -17.100 -14.598) 22.927 14.223 ( 3.279 -12.008 -7.262) 14.411 14.709 ( 6.432 8.642 10.423) 14.990 15.181 ( -7.209 3.666 2.968) 8.615 15.975 ( -19.594 -3.311 7.095) 21.100 16.026 ( 4.084 4.477 1.454) 6.232 16.481 ( -1.393 9.305 -15.095) 17.787 17.884 ( 3.171 -6.308 13.879) 15.572 20.560 ( 0.385 -0.101 -0.305) 0.501 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -18.992 -7.555 -10.514) 22.985 1.049 ( -21.227 -5.080 -15.211) 26.604 1.957 ( -41.787 -4.006 -12.569) 43.820 2.583 ( -0.284 -0.543 5.949) 5.980 2.799 ( -1.482 5.856 1.666) 6.266 2.989 ( 10.342 4.285 -0.803) 11.223 3.072 ( 3.618 4.370 10.766) 12.170 3.119 ( 8.114 -4.903 -2.070) 9.704 3.202 ( 9.423 -1.346 6.264) 11.395 3.480 ( 0.863 -1.607 6.630) 6.876 3.642 ( 4.987 -0.891 -5.714) 7.637 3.730 ( -1.721 -4.070 -1.386) 4.632 3.963 ( -2.753 4.174 -8.054) 9.480 4.235 ( -0.818 -0.065 0.477) 0.949 4.258 ( 0.473 0.355 -0.082) 0.597 4.831 ( 8.547 7.724 8.631) 14.394 4.993 ( 10.216 -7.179 3.002) 12.842 5.242 ( -1.892 -3.742 -0.867) 4.282 5.353 ( -3.552 6.745 3.393) 8.344 5.590 ( -4.249 -4.952 -2.781) 7.093 5.700 ( -4.282 2.626 -5.175) 7.212 6.287 ( 6.045 5.549 5.170) 9.699 6.388 ( 10.341 -1.314 -3.225) 10.912 6.639 ( 4.698 -2.937 -2.153) 5.944 6.895 ( -1.906 -4.950 7.337) 9.054 7.195 ( -6.017 3.212 3.846) 7.831 7.626 ( -10.752 -1.654 -9.624) 14.525 8.054 ( 5.429 2.470 0.284) 5.971 8.228 ( 5.591 -1.668 -0.851) 5.897 8.405 ( 1.999 2.598 4.850) 5.854 8.485 ( 4.852 0.136 -0.831) 4.924 8.556 ( 4.769 -0.507 5.012) 6.936 8.643 ( 3.896 5.352 -0.520) 6.640 8.984 ( -6.599 -3.491 -4.197) 8.565 9.172 ( 0.506 -1.687 -4.284) 4.631 9.293 ( -4.608 4.433 -0.843) 6.449 9.487 ( -5.819 -4.914 -0.415) 7.627 9.626 ( 0.044 0.387 4.829) 4.845 9.856 ( 8.919 -2.560 -4.501) 10.313 10.055 ( 4.426 5.159 -3.642) 7.711 10.214 ( -2.722 -0.265 -1.282) 3.021 10.234 ( -4.065 -0.666 -4.502) 6.101 10.599 ( 4.741 0.594 1.085) 4.899 11.158 ( -17.527 -3.124 4.045) 18.258 11.865 ( -2.787 5.114 13.416) 14.626 12.024 ( 14.821 0.528 5.412) 15.787 12.694 ( 6.383 5.733 -6.352) 10.675 12.947 ( 6.841 0.605 -3.452) 7.686 13.111 ( 1.977 -8.890 -11.943) 15.019 14.090 ( 0.848 -10.646 -4.084) 11.434 14.908 ( -2.508 8.556 4.106) 9.815 15.187 ( -0.685 0.146 6.399) 6.437 15.736 ( -11.892 -6.558 -3.632) 14.058 16.154 ( -0.711 -0.649 8.125) 8.182 16.336 ( -2.881 12.255 -14.561) 19.248 18.075 ( 2.429 -4.383 16.533) 17.275 20.562 ( 0.402 -0.015 -0.169) 0.437 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -22.315 2.226 2.534) 22.569 0.622 ( -25.737 -1.022 1.066) 25.780 1.258 ( -50.575 -0.396 -1.703) 50.605 2.683 ( 2.562 0.635 5.020) 5.672 2.746 ( -0.575 -0.929 -5.485) 5.592 3.122 ( 5.763 -0.236 -3.605) 6.802 3.161 ( 11.149 0.585 -1.388) 11.251 3.229 ( 1.079 -0.101 5.308) 5.418 3.438 ( 8.392 0.897 9.252) 12.523 3.444 ( 1.739 -0.865 -6.636) 6.914 3.660 ( 0.458 -0.373 -4.997) 5.032 3.770 ( 1.571 0.242 8.507) 8.654 3.821 ( -3.902 0.573 -5.471) 6.745 4.210 ( -3.791 -1.649 4.099) 5.822 4.294 ( 7.092 1.256 -4.674) 8.586 4.948 ( -1.414 -0.343 -0.132) 1.461 5.143 ( 9.660 2.904 1.181) 10.156 5.225 ( 3.420 -3.861 0.305) 5.167 5.375 ( -1.640 0.823 -1.716) 2.512 5.511 ( -4.016 1.104 1.551) 4.444 5.584 ( -7.146 -0.671 -0.375) 7.187 6.432 ( 9.068 -2.807 -5.605) 11.024 6.478 ( 6.489 3.887 5.154) 9.153 6.653 ( 6.857 -0.845 -3.524) 7.756 6.941 ( -2.381 -1.320 7.419) 7.903 7.147 ( -10.271 1.520 -1.435) 10.482 7.364 ( -11.075 -0.469 -1.746) 11.221 8.158 ( 6.408 0.332 0.361) 6.427 8.242 ( 2.819 -0.496 -3.133) 4.244 8.484 ( 7.447 0.949 -2.522) 7.920 8.567 ( 4.864 -0.291 -1.436) 5.080 8.648 ( 6.278 -6.003 -0.162) 8.688 8.739 ( -0.016 6.046 8.717) 10.608 8.859 ( -2.218 3.474 -1.353) 4.338 9.090 ( 1.010 -11.300 -3.291) 11.813 9.247 ( -3.901 6.375 -2.538) 7.893 9.405 ( -6.167 5.658 -1.042) 8.434 9.571 ( -15.568 -5.361 3.244) 16.782 9.954 ( 16.105 -0.320 0.454) 16.115 10.104 ( 0.601 1.531 -1.052) 1.952 10.167 ( 1.206 1.826 -2.139) 3.060 10.206 ( 0.746 -1.936 2.454) 3.214 10.664 ( 4.055 0.020 -0.445) 4.079 10.948 ( -16.362 -0.845 -2.694) 16.604 12.054 ( -2.067 0.551 2.457) 3.257 12.264 ( 14.610 0.094 2.024) 14.749 12.578 ( -1.333 -1.187 2.119) 2.771 12.931 ( 11.147 -2.225 -12.894) 17.189 13.125 ( -2.767 3.718 9.648) 10.704 14.023 ( -0.893 -0.635 1.490) 1.850 14.887 ( -6.965 0.487 -0.905) 7.040 15.293 ( 3.086 1.816 3.343) 4.899 15.536 ( -5.371 -2.719 -6.052) 8.536 16.183 ( 1.027 -3.439 -0.706) 3.658 16.251 ( -4.415 3.861 -1.018) 5.953 18.260 ( 2.970 0.014 4.391) 5.301 20.565 ( 0.294 -0.000 -0.003) 0.294 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -7.166 5.312 22.700) 24.390 1.349 ( -7.790 16.338 22.404) 28.802 2.283 ( -7.888 18.872 40.235) 45.136 2.495 ( 1.031 -7.048 -3.261) 7.834 2.711 ( 5.628 0.257 -9.914) 11.403 2.826 ( 10.670 -0.808 -9.340) 14.203 2.951 ( -0.828 -8.127 -11.082) 13.767 3.119 ( 1.851 0.561 -8.279) 8.502 3.307 ( -3.004 -2.269 1.980) 4.253 3.364 ( 2.770 -3.133 1.457) 4.429 3.590 ( -5.797 -1.610 -3.632) 7.027 3.935 ( -0.892 -2.982 9.698) 10.185 4.044 ( 2.140 -1.932 0.621) 2.949 4.170 ( -1.802 -4.137 -2.093) 4.974 4.296 ( 1.655 5.546 0.489) 5.808 4.650 ( 8.287 0.029 -12.261) 14.798 4.929 ( -4.400 -6.543 -5.092) 9.386 5.040 ( -2.907 5.537 -6.813) 9.248 5.469 ( 4.929 -0.426 5.300) 7.251 5.634 ( -6.922 -1.743 5.338) 8.913 5.807 ( 1.492 5.950 4.043) 7.346 6.247 ( 7.413 -1.434 -6.581) 10.016 6.399 ( -6.375 -6.347 -4.564) 10.088 6.586 ( 0.385 -3.525 -5.167) 6.267 6.895 ( 3.260 -4.049 4.544) 6.904 7.152 ( 1.501 1.331 0.557) 2.082 7.876 ( 3.374 -8.078 8.226) 12.013 8.084 ( -0.552 -0.447 -1.502) 1.662 8.150 ( -4.528 -2.590 -4.370) 6.805 8.229 ( 1.748 5.113 -4.011) 6.730 8.457 ( -1.621 -6.988 -4.687) 8.569 8.608 ( 6.905 6.318 -1.045) 9.417 8.744 ( 5.383 -10.940 -1.767) 12.320 9.040 ( -2.954 4.953 -2.178) 6.164 9.155 ( -0.990 -7.344 2.612) 7.857 9.271 ( -1.059 5.070 -3.539) 6.273 9.466 ( -13.085 4.075 0.358) 13.709 9.486 ( 7.118 6.454 3.847) 10.350 10.009 ( 5.406 -8.801 -0.563) 10.344 10.209 ( -1.852 -1.860 2.068) 3.341 10.299 ( -1.398 -6.132 5.406) 8.293 10.481 ( 4.753 -0.626 8.710) 9.942 10.588 ( 3.471 2.499 2.071) 4.752 10.820 ( -9.226 16.216 -0.514) 18.664 11.634 ( -2.312 10.545 -0.891) 10.832 12.052 ( 7.297 -18.929 -6.052) 21.171 12.647 ( 3.297 2.807 -9.448) 10.393 12.980 ( -2.469 7.908 -9.017) 12.245 13.560 ( 1.424 -18.904 14.028) 23.583 14.143 ( -16.291 -11.610 4.736) 20.558 14.707 ( 5.024 12.060 -13.218) 18.585 15.054 ( 2.224 6.199 2.175) 6.936 15.420 ( -8.047 13.248 -6.231) 16.706 16.265 ( 5.195 -11.495 9.195) 15.610 16.860 ( 12.153 13.361 18.368) 25.760 17.477 ( -12.790 2.171 -17.101) 21.465 20.567 ( 0.005 -0.278 -0.044) 0.282 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.505 7.124 22.181) 23.559 1.689 ( -1.827 17.009 21.115) 27.175 2.347 ( -7.244 -8.462 -4.330) 11.951 2.575 ( -1.182 -3.771 -12.477) 13.088 2.721 ( 3.110 -4.561 -11.532) 12.785 2.878 ( -0.243 14.800 32.992) 36.160 2.926 ( 12.326 0.838 -1.410) 12.434 3.038 ( 0.534 1.727 -7.150) 7.375 3.218 ( -10.712 4.132 -6.025) 12.966 3.389 ( 1.674 -6.277 5.759) 8.681 3.518 ( 0.462 -5.006 1.254) 5.181 3.953 ( -2.215 -3.689 -0.325) 4.315 4.055 ( -0.409 -7.278 4.834) 8.746 4.143 ( 4.960 -2.967 -1.508) 5.973 4.317 ( -2.366 4.212 -0.949) 4.923 4.587 ( 1.127 0.929 -9.191) 9.307 4.756 ( -3.666 -5.294 -6.684) 9.281 5.040 ( 5.271 7.862 -2.988) 9.925 5.543 ( -4.227 -2.126 4.879) 6.796 5.605 ( 0.577 -2.810 1.664) 3.317 5.907 ( 1.971 5.846 0.261) 6.174 6.177 ( -8.345 -7.508 -2.873) 11.587 6.236 ( 4.768 -1.116 -7.445) 8.912 6.563 ( 4.138 -1.188 -2.780) 5.125 6.948 ( -0.060 -5.633 5.838) 8.112 7.181 ( -0.105 -1.248 2.871) 3.132 7.864 ( -0.890 -9.847 0.275) 9.891 8.013 ( -1.170 -1.453 -3.116) 3.632 8.132 ( -1.498 1.561 4.116) 4.650 8.226 ( 0.118 0.081 -2.100) 2.105 8.406 ( 3.454 2.143 -2.033) 4.545 8.622 ( -4.508 -3.112 -7.238) 9.077 8.701 ( 4.833 1.248 -1.249) 5.145 8.970 ( 1.056 -3.598 -2.759) 4.655 9.214 ( 2.254 1.695 1.310) 3.110 9.298 ( -8.397 7.629 0.504) 11.356 9.325 ( -0.436 -0.956 0.921) 1.397 9.600 ( 2.386 3.486 0.154) 4.227 10.009 ( 5.964 -11.525 0.141) 12.977 10.150 ( -5.052 -0.579 -2.766) 5.789 10.306 ( -0.102 -6.240 3.798) 7.306 10.499 ( -3.176 -2.865 0.225) 4.283 10.756 ( -2.196 -0.458 12.700) 12.897 10.837 ( 1.084 12.061 -3.032) 12.484 11.752 ( 9.144 13.044 -3.013) 16.213 11.943 ( 3.548 -13.478 -1.734) 14.045 12.434 ( -14.128 -3.559 -5.670) 15.634 12.969 ( 5.365 11.513 -12.360) 17.723 13.650 ( 6.844 -13.428 10.196) 18.196 13.920 ( -11.190 -6.750 -0.818) 13.094 14.624 ( 2.375 -4.715 -8.154) 9.714 15.252 ( 1.133 21.575 -0.280) 21.606 15.396 ( -0.287 8.518 4.656) 9.712 16.351 ( 4.455 -13.411 8.370) 16.424 17.125 ( -21.027 4.247 -0.581) 21.459 17.318 ( 17.919 10.378 0.420) 20.712 20.563 ( 0.007 -0.422 -0.297) 0.516 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 6.572 1.566 16.073) 17.435 2.018 ( -5.720 11.751 11.577) 17.460 2.156 ( -2.533 -0.407 1.762) 3.113 2.298 ( -9.712 -3.707 -12.682) 16.399 2.649 ( 6.472 -2.717 -4.686) 8.440 2.971 ( 1.525 0.435 -6.149) 6.350 2.999 ( -2.203 0.349 -6.029) 6.429 3.032 ( -6.182 3.874 1.423) 7.433 3.371 ( 6.551 6.985 18.830) 21.126 3.404 ( 1.346 -9.737 -1.864) 10.005 3.599 ( 3.244 4.428 11.776) 12.992 3.870 ( -2.742 -3.273 -5.133) 6.677 4.044 ( -2.022 -2.628 3.595) 4.891 4.111 ( -0.760 -7.080 -4.861) 8.622 4.337 ( -2.508 4.076 4.325) 6.450 4.451 ( -1.767 -2.974 -7.513) 8.271 4.649 ( 1.525 -1.812 -3.556) 4.272 5.163 ( 7.310 8.428 -0.321) 11.162 5.494 ( -5.552 -3.247 1.887) 6.703 5.633 ( 3.038 -3.002 0.790) 4.343 5.876 ( -1.581 -1.935 -6.225) 6.707 6.097 ( -2.735 5.348 1.840) 6.282 6.176 ( 3.517 -3.389 -7.593) 9.028 6.570 ( 3.868 -3.266 -1.736) 5.352 6.966 ( -2.962 -6.392 6.726) 9.740 7.214 ( -2.592 -2.273 7.321) 8.092 7.797 ( -0.673 -5.266 0.195) 5.312 7.986 ( 3.322 -1.997 -1.988) 4.356 8.167 ( -0.227 -0.436 2.115) 2.171 8.227 ( 1.371 1.762 1.279) 2.573 8.427 ( -2.600 1.057 -3.634) 4.592 8.460 ( -1.016 2.880 -8.176) 8.728 8.750 ( 1.808 1.732 1.414) 2.875 8.943 ( 3.484 -2.445 -2.907) 5.155 9.160 ( -5.960 -0.734 2.319) 6.437 9.322 ( 0.501 5.496 1.407) 5.695 9.429 ( 7.039 5.027 0.090) 8.650 9.617 ( -0.115 -0.092 -0.830) 0.843 9.946 ( -3.020 -10.785 -2.005) 11.378 10.067 ( 0.133 -1.783 -3.475) 3.908 10.290 ( 1.001 -5.565 0.023) 5.654 10.426 ( -2.241 -1.489 -2.519) 3.686 10.744 ( -7.507 1.732 -1.679) 7.885 10.989 ( 6.657 1.590 7.811) 10.386 11.821 ( 2.025 -7.351 1.284) 7.732 12.029 ( 11.089 13.985 -0.574) 17.857 12.197 ( -15.003 -2.326 -0.886) 15.208 12.912 ( 4.625 2.498 -12.770) 13.810 13.591 ( -5.925 -8.520 -7.070) 12.557 13.958 ( 10.030 0.295 7.867) 12.750 14.517 ( 0.777 -9.879 -2.442) 10.206 15.312 ( -5.422 14.575 0.142) 15.551 15.655 ( 7.867 14.292 8.690) 18.484 16.383 ( 1.984 -13.800 4.931) 14.788 16.844 ( -14.391 3.561 -11.170) 18.562 17.599 ( 5.968 6.323 9.515) 12.890 20.555 ( 0.177 -0.446 -0.480) 0.678 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -14.875 -9.203 -6.716) 18.736 1.920 ( -15.155 -3.088 -10.813) 18.872 2.272 ( 7.617 8.853 12.554) 17.146 2.418 ( 2.461 11.762 12.400) 17.268 2.717 ( 8.596 -0.835 2.866) 9.100 2.870 ( -7.392 6.307 -0.139) 9.718 2.936 ( 3.286 -2.984 -3.817) 5.854 3.052 ( -0.887 -0.940 1.001) 1.635 3.277 ( -1.328 -10.993 -3.950) 11.756 3.592 ( 4.741 -0.181 2.161) 5.213 3.657 ( -12.799 -4.609 -9.271) 16.462 3.824 ( 3.107 4.996 6.895) 9.064 3.944 ( -7.232 -0.703 -2.092) 7.561 4.145 ( -0.484 3.763 6.651) 7.657 4.272 ( 5.790 -6.259 -6.540) 10.746 4.484 ( 0.828 7.013 4.500) 8.373 4.656 ( 5.438 -7.222 2.461) 9.370 5.285 ( 3.530 7.271 -0.949) 8.139 5.425 ( -4.014 -3.535 1.175) 5.476 5.665 ( 3.247 -0.133 0.800) 3.346 5.781 ( -0.526 -0.607 -5.130) 5.192 6.083 ( 3.887 -2.124 -7.273) 8.516 6.166 ( 0.538 5.179 1.853) 5.527 6.563 ( 3.230 -5.724 -1.144) 6.671 6.964 ( -4.163 -6.814 7.446) 10.918 7.272 ( -3.863 -0.475 9.036) 9.839 7.787 ( 0.541 -1.607 1.828) 2.494 8.002 ( 6.445 -2.466 -2.618) 7.381 8.189 ( -3.502 2.059 1.119) 4.214 8.258 ( 1.594 -2.749 -4.648) 5.631 8.317 ( 0.332 3.467 -1.517) 3.799 8.446 ( 3.031 4.995 -3.110) 6.619 8.734 ( -7.767 0.573 0.511) 7.805 8.998 ( 8.574 2.605 -1.102) 9.028 9.162 ( 3.095 -5.448 2.313) 6.679 9.375 ( -0.941 7.732 0.385) 7.799 9.503 ( -1.786 1.855 -0.949) 2.744 9.612 ( 4.183 -1.946 0.719) 4.669 9.778 ( -6.621 -7.262 -3.194) 10.333 10.014 ( 0.373 -0.506 -3.632) 3.686 10.290 ( 5.876 -4.055 -1.941) 7.398 10.376 ( 1.085 -0.773 -2.720) 3.029 10.601 ( -7.855 -0.263 -5.864) 9.806 11.196 ( 7.989 -0.982 10.823) 13.488 11.825 ( -2.641 -2.386 4.636) 5.845 11.993 ( -12.970 -0.264 -1.450) 13.054 12.284 ( 12.574 12.390 1.260) 17.697 12.821 ( 5.926 -2.365 -11.140) 12.838 13.361 ( -5.996 -7.271 -7.721) 12.184 14.111 ( 6.298 -2.913 -2.803) 7.484 14.531 ( 6.022 -2.721 8.452) 10.728 15.351 ( -5.963 10.173 2.618) 12.079 15.923 ( 5.275 10.997 5.111) 13.224 16.316 ( -4.074 -15.575 2.197) 16.249 16.574 ( -9.548 8.473 -13.623) 18.669 17.805 ( 2.451 1.165 12.009) 12.312 20.550 ( 0.412 -0.336 -0.485) 0.719 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -20.023 -3.118 -5.183) 20.917 1.560 ( -20.478 -2.627 -7.721) 22.043 2.495 ( -1.326 5.666 5.235) 7.828 2.667 ( 4.900 10.613 9.490) 15.057 2.784 ( 1.171 -7.130 -6.223) 9.535 2.914 ( 6.284 -4.565 -2.352) 8.115 2.940 ( -0.082 6.147 1.377) 6.300 3.039 ( 2.232 -0.731 6.443) 6.858 3.138 ( -17.862 -4.100 3.397) 18.638 3.396 ( -0.240 -3.459 1.002) 3.609 3.597 ( -0.411 -1.063 -4.258) 4.408 3.797 ( -3.373 -3.069 -3.139) 5.536 3.990 ( 1.400 5.694 -3.717) 6.942 4.098 ( 6.170 -1.219 -6.969) 9.387 4.345 ( -0.408 0.444 4.102) 4.146 4.625 ( 5.635 7.474 5.190) 10.703 4.737 ( 9.266 -9.584 4.731) 14.146 5.284 ( -1.120 -0.772 -3.303) 3.573 5.430 ( -1.903 3.536 4.156) 5.779 5.676 ( -0.883 -1.526 -4.288) 4.636 5.743 ( -0.693 4.231 -0.246) 4.294 6.070 ( 10.010 -4.005 -3.510) 11.338 6.242 ( 1.732 7.018 1.081) 7.309 6.544 ( 3.253 -6.549 -0.937) 7.372 6.969 ( -3.543 -5.718 7.824) 10.319 7.330 ( -4.850 2.225 7.180) 8.945 7.815 ( -1.680 0.484 1.478) 2.289 8.020 ( 0.078 -4.610 -7.194) 8.545 8.051 ( 2.181 2.555 -4.516) 5.629 8.295 ( 5.391 -1.395 1.365) 5.733 8.369 ( 4.601 0.276 0.146) 4.612 8.517 ( 3.487 6.657 0.494) 7.531 8.644 ( -5.894 1.445 -1.423) 6.233 9.066 ( 2.667 -0.505 -1.534) 3.118 9.179 ( 0.778 -3.799 0.452) 3.904 9.418 ( -6.458 -3.303 1.152) 7.345 9.447 ( 5.673 8.498 -1.926) 10.398 9.597 ( -3.736 -5.229 -3.497) 7.316 9.741 ( 3.042 0.506 5.836) 6.601 9.987 ( 2.090 0.787 -3.470) 4.127 10.270 ( 1.271 -3.990 -3.614) 5.531 10.378 ( -1.416 1.523 -2.284) 3.089 10.459 ( -0.426 -0.131 -2.881) 2.916 11.414 ( 3.368 -3.665 10.857) 11.944 11.744 ( -3.313 -1.019 -4.907) 6.008 11.963 ( -2.661 7.257 7.061) 10.469 12.499 ( 9.945 2.618 0.833) 10.318 12.748 ( 7.874 -3.782 -10.355) 13.547 13.185 ( -6.578 -1.092 -1.158) 6.768 14.055 ( 1.779 -7.011 -4.348) 8.439 14.762 ( 9.937 4.616 7.064) 13.037 15.361 ( -8.538 6.283 3.563) 11.183 15.963 ( -5.552 -3.522 -6.309) 9.112 16.191 ( -1.881 -12.754 3.976) 13.491 16.423 ( -4.900 15.618 -9.995) 19.179 17.994 ( 3.034 -0.644 12.616) 12.992 20.549 ( 0.584 -0.153 -0.296) 0.672 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -22.715 4.736 2.460) 23.334 1.229 ( -24.287 -0.602 1.620) 24.349 2.332 ( -32.332 -1.740 -3.347) 32.552 2.671 ( 0.128 -1.002 3.298) 3.450 2.784 ( -5.841 -1.985 -9.063) 10.963 2.893 ( 10.223 5.568 0.122) 11.642 2.922 ( 5.817 -6.714 -1.885) 9.081 3.154 ( 4.001 1.503 6.496) 7.775 3.250 ( 6.103 1.967 10.814) 12.573 3.500 ( -4.034 -1.441 -2.158) 4.796 3.548 ( 8.123 1.401 4.763) 9.520 3.720 ( 0.059 1.497 -2.483) 2.900 3.874 ( -0.365 -2.576 -9.005) 9.373 4.149 ( 5.873 3.749 -4.627) 8.364 4.334 ( -5.217 -1.741 2.295) 5.959 4.819 ( 12.585 -8.892 0.642) 15.423 4.854 ( 8.668 7.754 3.260) 12.079 5.225 ( -1.506 -3.223 -0.699) 3.626 5.466 ( -3.668 5.250 -0.963) 6.476 5.597 ( -2.987 -1.348 0.074) 3.278 5.728 ( -4.189 0.308 0.313) 4.212 6.158 ( 12.136 -1.464 -3.442) 12.699 6.340 ( 4.132 6.526 2.275) 8.052 6.530 ( 3.959 -5.060 -1.654) 6.634 6.999 ( -2.321 -3.151 7.331) 8.310 7.349 ( -6.413 3.039 1.769) 7.314 7.667 ( -12.642 -0.735 -5.372) 13.755 8.000 ( 6.015 -0.401 1.150) 6.138 8.097 ( 8.022 -0.140 -3.513) 8.759 8.342 ( 4.352 -1.797 -2.382) 5.276 8.418 ( 6.968 -0.719 -2.854) 7.564 8.556 ( -1.848 -0.517 -0.344) 1.949 8.665 ( 4.621 6.514 3.530) 8.732 9.030 ( -2.047 -4.811 -1.101) 5.343 9.124 ( -6.330 0.861 -1.406) 6.541 9.359 ( -5.307 -2.014 0.777) 5.729 9.497 ( -1.828 0.021 -0.223) 1.842 9.588 ( 11.799 6.936 -1.766) 13.800 9.826 ( -4.035 -5.590 6.816) 9.695 10.003 ( 4.872 4.498 -0.721) 6.670 10.199 ( -1.689 -5.136 -2.036) 5.777 10.292 ( -6.875 2.271 -0.252) 7.245 10.515 ( 7.718 1.037 -1.413) 7.914 11.334 ( -15.264 -2.755 -2.781) 15.758 11.841 ( 18.859 0.526 -0.340) 18.869 12.094 ( -1.270 3.872 6.480) 7.655 12.581 ( 1.416 -4.490 7.071) 8.495 12.660 ( 10.034 -4.483 -15.871) 19.305 13.218 ( -4.707 8.318 11.790) 15.177 14.000 ( 2.360 -1.906 -2.130) 3.707 14.931 ( 5.928 2.715 -1.924) 6.798 15.337 ( -8.318 3.168 4.782) 10.104 15.719 ( -9.069 -6.987 -7.456) 13.662 16.140 ( 2.451 -6.602 -2.488) 7.469 16.382 ( -5.930 7.701 -1.231) 9.797 18.169 ( 4.198 0.019 6.623) 7.841 20.554 ( 0.590 -0.001 -0.020) 0.590 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -21.609 7.715 12.584) 26.169 1.071 ( -22.106 3.881 16.838) 28.058 1.900 ( -38.923 4.854 9.060) 40.257 2.627 ( 0.482 -1.697 -8.869) 9.042 2.711 ( 1.581 -2.090 0.709) 2.715 2.966 ( 10.903 -2.912 -4.146) 12.023 2.983 ( 6.967 0.408 -3.339) 7.737 3.240 ( 3.379 -3.298 -0.991) 4.824 3.356 ( -0.862 -4.719 0.766) 4.858 3.472 ( 1.158 1.463 -2.639) 3.232 3.584 ( 1.656 5.620 -2.426) 6.341 3.794 ( 0.795 3.359 2.044) 4.012 3.869 ( 5.436 -2.582 7.887) 9.921 4.161 ( 4.022 3.444 -5.191) 7.415 4.289 ( -3.148 -2.059 1.207) 3.950 4.834 ( 7.703 -7.831 -7.021) 13.036 5.056 ( 8.843 8.756 -2.167) 12.632 5.196 ( 0.493 -5.249 4.046) 6.646 5.362 ( -6.126 -0.460 -6.722) 9.106 5.600 ( -2.836 5.798 1.440) 6.613 5.698 ( -5.768 -3.586 7.145) 9.858 6.216 ( 9.570 -1.499 -5.694) 11.236 6.468 ( 5.206 0.331 0.313) 5.226 6.557 ( 6.625 2.600 0.884) 7.171 7.045 ( -1.527 -2.681 5.698) 6.479 7.186 ( -10.087 -1.699 -10.212) 14.454 7.568 ( -7.340 4.175 8.454) 11.949 8.054 ( 5.499 -3.781 -1.681) 6.882 8.170 ( 5.648 5.666 -1.895) 8.221 8.354 ( 7.009 -1.132 -4.242) 8.271 8.431 ( 3.701 -0.860 -3.077) 4.890 8.576 ( 4.858 -1.552 0.811) 5.164 8.795 ( 3.846 -5.356 0.032) 6.594 8.973 ( -1.249 1.966 5.307) 5.795 9.033 ( -6.454 3.318 -1.403) 7.391 9.290 ( -3.817 -0.124 -0.503) 3.852 9.506 ( -3.162 7.977 -0.167) 8.582 9.706 ( -8.485 -7.909 -0.388) 11.606 9.820 ( 12.376 4.062 4.444) 13.763 10.095 ( -0.430 -3.107 -0.117) 3.139 10.160 ( 2.938 -0.494 6.904) 7.519 10.255 ( -4.020 0.979 2.087) 4.634 10.579 ( 5.621 0.626 -2.799) 6.311 11.076 ( -15.296 3.785 -7.429) 17.421 11.962 ( -2.872 -6.133 -6.626) 9.475 12.104 ( 8.931 -4.309 1.052) 9.972 12.537 ( 12.207 -3.195 -15.127) 19.699 12.832 ( 7.818 5.323 17.278) 19.698 13.377 ( -7.578 1.377 16.459) 18.172 14.062 ( 5.079 10.624 0.874) 11.808 14.877 ( -2.736 -5.073 -6.512) 8.697 15.314 ( -2.486 -6.641 0.341) 7.099 15.532 ( -7.008 10.930 -6.841) 14.676 16.119 ( 3.403 -4.062 0.013) 5.299 16.342 ( -5.755 -2.535 4.986) 8.026 18.188 ( -0.786 -1.392 -9.538) 9.671 20.561 ( 0.417 0.021 0.163) 0.449 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -9.890 3.227 19.850) 22.411 1.820 ( -8.141 12.297 19.395) 24.365 2.337 ( 11.196 0.107 -6.161) 12.779 2.460 ( 19.217 -4.369 -11.323) 22.728 2.546 ( -2.682 -2.978 -7.972) 8.922 2.762 ( -0.909 -4.771 -9.237) 10.436 2.993 ( -5.767 11.475 18.575) 22.582 3.055 ( -3.934 4.142 8.023) 9.849 3.353 ( -2.073 -0.375 2.292) 3.114 3.437 ( -6.553 -1.132 6.671) 9.420 3.587 ( -3.124 -3.112 -4.104) 6.024 3.925 ( 8.113 -1.402 -6.373) 10.411 4.013 ( 3.170 -9.442 5.717) 11.484 4.085 ( -1.297 -1.634 -7.078) 7.379 4.320 ( 12.490 3.516 -2.581) 13.229 4.387 ( -0.791 0.926 -4.489) 4.651 4.912 ( -7.585 -10.238 -0.244) 12.744 5.060 ( -4.191 8.066 -5.288) 10.516 5.475 ( 4.262 -0.238 3.876) 5.766 5.765 ( -1.814 2.719 2.308) 4.001 5.812 ( -0.001 -1.568 0.278) 1.593 6.107 ( 2.886 3.166 -5.797) 7.208 6.385 ( -0.707 -3.064 -0.587) 3.199 6.504 ( -5.207 -6.997 -5.349) 10.232 6.913 ( 2.971 -1.013 7.258) 7.908 7.127 ( 3.567 -1.878 2.075) 4.534 7.838 ( 2.445 -4.041 0.034) 4.723 8.067 ( -1.398 -1.372 -2.974) 3.561 8.169 ( 1.023 -0.218 -0.262) 1.079 8.234 ( -3.863 3.124 0.864) 5.042 8.378 ( -0.500 -3.366 -3.287) 4.731 8.541 ( 5.880 -0.530 -4.950) 7.705 8.622 ( 2.052 -1.193 2.173) 3.218 9.065 ( 2.650 1.295 -0.633) 3.017 9.202 ( -11.227 -0.838 -0.285) 11.262 9.263 ( -1.620 3.859 -4.272) 5.980 9.470 ( 6.215 5.527 1.566) 8.463 9.658 ( -7.909 3.257 3.037) 9.076 9.883 ( 3.331 -7.966 -0.970) 8.689 10.147 ( 5.830 -4.963 -2.857) 8.172 10.305 ( 1.329 -3.802 2.790) 4.899 10.533 ( 0.036 -2.943 1.595) 3.348 10.601 ( 4.088 5.840 2.362) 7.510 11.019 ( -8.037 8.328 2.445) 11.828 11.726 ( -6.739 0.525 2.093) 7.076 11.817 ( 5.788 -11.685 -1.184) 13.093 12.466 ( 12.857 8.041 -8.324) 17.299 12.973 ( -6.322 3.739 -7.849) 10.750 13.659 ( -6.746 -10.967 10.894) 16.866 14.281 ( -14.942 -11.966 -2.835) 19.352 14.522 ( 6.296 4.075 -8.179) 11.097 15.147 ( 3.410 11.318 5.674) 13.112 15.539 ( -7.486 11.840 -4.133) 14.605 16.214 ( 6.095 -10.708 5.692) 13.572 16.856 ( 16.488 6.405 0.113) 17.689 17.577 ( -13.730 2.604 2.752) 14.243 20.564 ( -0.110 -0.293 -0.218) 0.381 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.031 4.942 19.020) 19.756 2.067 ( -0.803 10.007 14.828) 17.907 2.338 ( -1.863 -2.960 -3.216) 4.752 2.378 ( 2.519 -0.672 -11.069) 11.372 2.492 ( 3.512 -2.877 -8.151) 9.330 2.678 ( 10.946 -1.758 -4.831) 12.093 3.041 ( -0.746 3.980 -0.653) 4.101 3.270 ( -5.718 3.078 0.660) 6.528 3.367 ( -4.945 4.050 13.302) 14.758 3.420 ( -4.296 -4.279 3.043) 6.784 3.564 ( 0.599 -0.383 12.268) 12.289 3.910 ( 2.526 -0.027 -6.099) 6.602 3.962 ( 3.622 -3.996 -8.536) 10.097 4.063 ( 3.476 -6.686 3.292) 8.224 4.342 ( 0.997 -1.092 -2.528) 2.929 4.439 ( 6.597 1.741 -0.763) 6.866 4.735 ( -8.369 -6.726 -2.383) 10.999 5.052 ( -0.149 9.248 -0.783) 9.282 5.545 ( 3.850 -2.435 0.826) 4.630 5.687 ( -9.826 -0.780 0.748) 9.885 5.868 ( 4.511 0.644 -1.866) 4.924 6.060 ( 2.864 -0.594 -8.217) 8.722 6.257 ( -8.837 -2.908 0.737) 9.332 6.470 ( 4.719 -1.381 -1.909) 5.275 6.999 ( -0.268 -5.123 7.157) 8.806 7.215 ( 2.600 -2.267 7.737) 8.471 7.811 ( -0.107 -3.927 -0.775) 4.004 7.982 ( -1.980 -2.626 -2.888) 4.377 8.166 ( 0.457 -2.732 -0.523) 2.819 8.222 ( -0.586 1.157 -1.185) 1.757 8.372 ( 1.603 5.135 -1.761) 5.660 8.492 ( 3.405 -5.364 -5.676) 8.519 8.670 ( 1.897 2.684 0.011) 3.287 9.002 ( -12.070 0.819 -2.389) 12.331 9.150 ( 9.429 -0.598 1.265) 9.532 9.315 ( 2.638 7.139 -0.050) 7.611 9.502 ( -9.307 5.603 -2.325) 11.110 9.624 ( -3.580 0.585 4.097) 5.472 9.866 ( 4.790 -8.812 -0.414) 10.038 10.092 ( 1.554 -4.731 -6.326) 8.051 10.293 ( -0.534 -6.233 0.073) 6.256 10.504 ( -1.997 -3.994 -1.310) 4.654 10.722 ( 10.632 2.626 -4.599) 11.878 11.004 ( -10.349 1.653 8.531) 13.513 11.772 ( 2.189 8.743 3.653) 9.725 11.820 ( 4.571 -6.266 1.566) 7.913 12.447 ( -2.556 -3.823 -4.774) 6.629 12.844 ( -1.054 10.466 -13.926) 17.452 13.693 ( -0.827 -2.642 8.151) 8.608 13.957 ( -10.662 -9.718 -7.071) 16.066 14.503 ( 0.044 -5.843 0.189) 5.846 15.406 ( 4.064 20.074 5.407) 21.183 15.510 ( -2.612 6.920 2.109) 7.692 16.267 ( 6.392 -11.827 2.793) 13.731 16.932 ( 8.570 -0.500 -14.970) 17.257 17.623 ( -8.738 9.212 16.947) 21.176 20.555 ( -0.155 -0.455 -0.491) 0.687 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -2.657 -3.393 5.508) 6.993 2.172 ( -1.340 3.457 0.094) 3.709 2.255 ( -6.640 -1.342 -5.570) 8.770 2.365 ( -2.228 10.187 11.454) 15.490 2.472 ( 10.481 0.702 -1.534) 10.615 2.775 ( 9.255 -2.094 -0.323) 9.494 3.017 ( -4.372 3.319 -3.101) 6.305 3.197 ( -6.180 0.659 2.398) 6.661 3.310 ( -4.287 -6.648 -3.790) 8.771 3.478 ( 2.426 -0.958 5.411) 6.007 3.789 ( -0.854 6.871 7.773) 10.410 3.841 ( -2.853 -0.320 -4.263) 5.139 3.903 ( 8.809 -8.191 -4.516) 12.848 4.109 ( 2.224 1.561 3.873) 4.731 4.334 ( 2.943 -9.843 -1.733) 10.419 4.451 ( -5.021 3.402 1.626) 6.279 4.615 ( -1.225 -0.146 -1.230) 1.742 5.161 ( 5.106 8.808 2.244) 10.425 5.520 ( -2.998 -1.623 -4.455) 5.610 5.616 ( -1.640 -3.421 3.321) 5.042 5.817 ( -2.723 -2.562 -4.344) 5.732 6.011 ( 4.933 -1.916 -6.496) 8.378 6.202 ( -4.623 4.286 2.005) 6.616 6.486 ( 3.282 -2.862 -1.203) 4.517 7.028 ( -1.149 -7.370 6.110) 9.642 7.330 ( -0.554 -1.676 10.011) 10.165 7.787 ( -0.678 -2.708 1.874) 3.363 7.922 ( 0.034 -0.365 -3.204) 3.225 8.156 ( 2.384 -3.348 -0.870) 4.202 8.216 ( 2.308 -0.518 -0.728) 2.475 8.368 ( 2.609 2.318 -5.109) 6.187 8.427 ( -3.806 4.240 -6.371) 8.547 8.743 ( 6.127 2.161 2.868) 7.102 8.881 ( -4.076 -1.704 -1.696) 4.732 9.291 ( 4.074 4.091 1.024) 5.863 9.320 ( -6.014 -3.369 1.222) 7.001 9.450 ( -0.424 11.682 1.293) 11.761 9.634 ( -2.125 -0.749 1.815) 2.893 9.845 ( 2.037 -8.128 -1.202) 8.466 9.987 ( 0.637 -3.599 -6.511) 7.467 10.213 ( 0.295 -6.557 -4.665) 8.053 10.406 ( -3.151 -2.554 -3.992) 5.691 10.728 ( 1.533 -1.659 -5.576) 6.016 11.057 ( -0.970 -0.362 9.561) 9.617 11.871 ( 1.582 -0.295 3.850) 4.173 11.957 ( 7.821 9.622 4.142) 13.073 12.310 ( -8.149 -4.212 -0.861) 9.214 12.712 ( 1.610 1.934 -13.602) 13.833 13.579 ( -10.154 0.794 -10.570) 14.679 13.930 ( 7.183 -1.266 5.235) 8.977 14.474 ( -1.368 -8.591 6.271) 10.724 15.486 ( -5.848 10.685 1.952) 12.336 15.754 ( 8.747 14.096 7.410) 18.169 16.265 ( 5.276 -10.849 -1.919) 12.216 16.767 ( -2.285 -3.685 -12.270) 13.014 17.811 ( -3.586 7.155 13.252) 15.481 20.544 ( 0.023 -0.454 -0.563) 0.723 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -12.937 -1.652 -2.855) 13.351 2.006 ( -16.161 -0.210 -4.102) 16.675 2.340 ( 8.969 3.130 3.486) 10.119 2.549 ( 5.631 3.120 7.248) 9.694 2.631 ( 9.350 -0.608 0.916) 9.414 2.861 ( -1.579 2.666 4.533) 5.491 2.958 ( 0.203 1.363 -0.339) 1.419 3.104 ( -6.466 -3.130 -4.051) 8.247 3.236 ( -1.022 -0.733 4.325) 4.505 3.558 ( 3.645 -0.580 0.977) 3.818 3.703 ( -9.319 -1.703 -3.367) 10.054 3.834 ( 2.215 -1.231 -4.705) 5.344 3.915 ( 3.987 1.887 -0.802) 4.484 4.114 ( -7.418 -8.246 -7.503) 13.391 4.276 ( 1.754 4.237 6.569) 8.011 4.537 ( 5.256 3.281 3.791) 7.264 4.611 ( 0.126 -3.785 1.567) 4.099 5.297 ( 1.438 5.198 0.498) 5.417 5.427 ( 0.432 -1.326 -1.392) 1.970 5.634 ( 2.072 -0.805 0.558) 2.291 5.743 ( -0.257 -0.606 -1.166) 1.339 5.955 ( 0.967 -1.326 -5.417) 5.660 6.236 ( -0.974 5.372 2.230) 5.897 6.479 ( 2.195 -4.889 -0.780) 5.416 7.032 ( -1.340 -6.638 4.995) 8.415 7.418 ( -2.310 -0.115 7.420) 7.772 7.809 ( 0.583 -2.654 4.498) 5.255 7.897 ( 1.661 2.642 -3.540) 4.719 8.130 ( 3.776 -4.037 -6.673) 8.665 8.257 ( 2.235 -1.016 2.746) 3.683 8.281 ( -4.751 3.637 -6.662) 8.955 8.411 ( 4.152 4.382 -1.285) 6.172 8.790 ( -4.274 -0.944 -2.153) 4.878 8.907 ( 9.715 2.212 1.838) 10.132 9.182 ( -8.358 -1.268 0.540) 8.471 9.411 ( 4.134 0.314 1.693) 4.479 9.559 ( -1.883 4.852 3.138) 6.077 9.626 ( -1.018 1.816 3.115) 3.746 9.751 ( -3.929 -4.947 -2.796) 6.909 9.922 ( 3.791 -2.647 -4.890) 6.730 10.131 ( 4.982 -4.528 -5.822) 8.900 10.334 ( 0.271 -0.029 -2.281) 2.297 10.636 ( -6.218 -1.279 -2.104) 6.688 11.194 ( 7.849 -0.809 6.145) 10.001 11.909 ( -2.719 -0.154 -1.704) 3.213 12.078 ( -5.229 3.704 2.398) 6.842 12.283 ( 4.655 2.759 7.176) 8.988 12.589 ( 4.861 -4.039 -11.019) 12.703 13.372 ( -7.858 1.069 -4.089) 8.922 14.008 ( 2.697 -1.294 -2.407) 3.839 14.553 ( 5.245 -1.794 8.038) 9.764 15.518 ( -4.870 7.001 3.299) 9.144 15.984 ( 3.101 9.097 1.986) 9.814 16.193 ( 2.318 -11.230 -4.785) 12.425 16.568 ( -5.554 -0.157 -6.835) 8.809 17.961 ( -0.582 2.926 9.388) 9.850 20.537 ( 0.322 -0.267 -0.379) 0.565 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -18.357 6.336 1.852) 19.508 1.767 ( -19.922 0.426 1.567) 19.988 2.500 ( 10.939 -0.417 1.058) 10.998 2.605 ( 0.296 -9.337 -7.809) 12.176 2.689 ( 7.799 -2.470 -2.181) 8.466 2.818 ( -1.632 -0.378 -1.272) 2.104 3.047 ( -1.596 2.836 3.838) 5.032 3.099 ( 2.030 5.935 7.777) 9.991 3.342 ( 2.169 0.723 9.546) 9.815 3.488 ( -14.705 -2.486 -0.472) 14.921 3.578 ( -1.588 -0.306 -1.880) 2.480 3.745 ( -2.910 0.942 -6.506) 7.190 3.876 ( -2.664 -6.796 -6.889) 10.037 4.012 ( 3.991 7.523 -0.842) 8.557 4.381 ( 3.010 3.463 -0.806) 4.658 4.599 ( 2.434 -9.083 2.217) 9.661 4.675 ( 7.024 3.277 2.566) 8.165 5.253 ( -1.508 -3.016 -2.714) 4.329 5.490 ( 2.221 3.495 1.119) 4.290 5.639 ( -0.339 0.142 -0.787) 0.869 5.785 ( 0.745 4.428 1.877) 4.867 5.917 ( 5.148 -1.963 -2.101) 5.897 6.292 ( 0.291 5.163 1.312) 5.335 6.456 ( 2.085 -5.860 -0.745) 6.264 7.039 ( -0.754 -3.695 3.970) 5.475 7.456 ( -2.546 1.489 1.782) 3.446 7.866 ( 1.396 -2.645 4.299) 5.237 7.895 ( 0.126 2.308 -3.654) 4.324 7.996 ( -2.164 1.479 -8.169) 8.579 8.255 ( 4.030 0.312 -0.574) 4.082 8.283 ( 1.489 -2.678 -1.551) 3.434 8.505 ( 6.309 1.713 2.636) 7.049 8.692 ( -5.037 1.334 -3.845) 6.475 9.026 ( 1.552 2.105 -0.196) 2.622 9.131 ( 3.845 -3.986 1.460) 5.728 9.455 ( -0.504 3.421 -0.157) 3.461 9.529 ( -8.622 -1.689 2.941) 9.265 9.580 ( -3.879 -2.840 -0.726) 4.862 9.814 ( 4.295 3.054 8.145) 9.701 9.902 ( 3.887 0.151 -4.145) 5.684 10.120 ( 6.860 -3.705 -3.582) 8.580 10.358 ( 2.760 3.204 0.667) 4.281 10.520 ( -8.794 0.317 -1.008) 8.857 11.389 ( 14.355 0.263 3.492) 14.776 11.707 ( -11.964 -3.608 -8.848) 15.312 12.139 ( -2.915 6.483 7.256) 10.157 12.446 ( 7.771 -3.891 -8.093) 11.875 12.510 ( 4.539 -4.142 5.386) 8.171 13.339 ( -4.718 5.313 7.966) 10.674 13.959 ( 0.258 -1.761 -4.244) 4.602 14.713 ( 9.757 2.637 -0.073) 10.108 15.539 ( -6.075 4.846 3.375) 8.472 15.933 ( -7.766 -7.289 -6.212) 12.330 16.082 ( 1.832 -7.103 -3.244) 8.021 16.507 ( -3.865 7.435 -0.089) 8.380 18.078 ( 2.937 -0.068 4.984) 5.785 20.539 ( 0.561 -0.002 -0.030) 0.562 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -20.974 11.335 8.024) 25.155 1.603 ( -21.060 2.298 11.161) 23.946 2.363 ( -1.542 -10.188 -12.630) 16.300 2.627 ( 5.509 -4.387 -4.730) 8.483 2.667 ( 5.495 -2.568 -1.474) 6.242 2.820 ( 5.061 -0.534 -3.400) 6.120 3.067 ( -15.049 4.311 4.561) 16.305 3.167 ( -3.608 -5.686 4.634) 8.174 3.346 ( -2.714 4.211 5.118) 7.161 3.482 ( -0.308 -3.252 -4.147) 5.279 3.597 ( 4.582 5.418 6.805) 9.831 3.655 ( 0.222 4.653 -5.862) 7.488 3.799 ( 0.352 -1.242 1.663) 2.105 4.078 ( 3.264 4.101 -2.248) 5.703 4.361 ( -1.359 0.796 -5.343) 5.571 4.611 ( 8.141 -11.236 -0.815) 13.899 4.825 ( 8.729 7.329 0.962) 11.438 5.199 ( 0.694 -5.125 -0.497) 5.196 5.481 ( -2.794 2.301 -4.723) 5.950 5.654 ( -1.744 3.547 2.424) 4.637 5.804 ( -3.077 -2.880 5.130) 6.639 6.007 ( 8.546 2.045 -0.990) 8.842 6.354 ( 2.630 4.751 0.326) 5.440 6.439 ( 3.437 -3.820 -0.774) 5.196 7.059 ( 0.104 -1.062 2.121) 2.374 7.380 ( -5.070 -0.511 -8.701) 10.084 7.776 ( -8.526 1.718 -0.569) 8.716 7.928 ( 4.950 -3.253 1.208) 6.045 8.026 ( 3.646 6.751 1.630) 7.844 8.235 ( 2.897 -2.202 -4.461) 5.757 8.332 ( 4.675 -0.018 2.171) 5.154 8.550 ( -0.812 -2.601 -3.177) 4.186 8.679 ( 3.980 3.118 2.185) 5.508 8.980 ( -2.401 -0.811 -2.235) 3.380 9.215 ( 0.355 -2.945 4.514) 5.402 9.392 ( -2.060 -2.511 -2.814) 4.297 9.503 ( 1.659 3.578 -1.095) 4.093 9.584 ( -3.930 4.196 6.266) 8.503 9.857 ( -0.092 -3.002 -2.171) 3.706 10.019 ( 6.615 0.481 5.810) 8.818 10.141 ( 1.849 -1.654 2.253) 3.351 10.400 ( -6.830 2.497 1.346) 7.395 10.452 ( 2.194 3.448 -0.369) 4.103 11.415 ( -10.542 -1.172 -10.722) 15.082 11.624 ( 14.461 1.565 3.429) 14.944 12.206 ( -5.185 -1.311 5.534) 7.696 12.306 ( 7.292 -6.196 -16.573) 19.137 12.693 ( 4.574 -2.085 14.551) 15.395 13.509 ( -2.947 6.466 16.998) 18.424 13.928 ( 4.180 6.407 -5.561) 9.458 14.786 ( 8.446 -0.832 -7.107) 11.070 15.490 ( -9.752 -2.716 -0.209) 10.125 15.704 ( -5.913 -2.551 -5.199) 8.276 16.046 ( 1.319 -4.053 0.600) 4.305 16.503 ( -6.734 3.204 2.720) 7.938 18.132 ( 4.239 -2.263 -3.357) 5.862 20.549 ( 0.597 0.161 0.264) 0.672 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -20.862 9.189 14.940) 27.255 1.563 ( -19.332 3.506 16.324) 25.544 2.180 ( 1.835 -2.031 -6.489) 7.043 2.512 ( 3.151 -7.502 -7.752) 11.239 2.728 ( 5.144 0.182 -4.253) 6.677 2.804 ( -3.805 1.346 -1.347) 4.254 2.957 ( -10.512 0.734 5.028) 11.676 3.128 ( 0.754 -6.368 -2.338) 6.825 3.374 ( -0.770 -5.435 0.186) 5.492 3.434 ( -3.128 6.316 -0.099) 7.049 3.636 ( 0.019 8.399 -0.895) 8.447 3.783 ( 8.410 2.773 0.573) 8.874 3.895 ( 3.147 -0.851 8.880) 9.459 4.099 ( 3.608 0.062 -2.512) 4.397 4.266 ( -0.105 0.061 -7.264) 7.265 4.578 ( 5.634 -10.507 -5.763) 13.242 4.997 ( 8.212 11.059 -2.238) 13.955 5.176 ( 1.634 -8.144 1.542) 8.448 5.384 ( -6.248 1.874 -2.548) 7.003 5.673 ( -1.552 3.314 0.469) 3.690 5.830 ( -3.519 -4.412 8.346) 10.075 6.076 ( 4.778 1.767 -2.383) 5.624 6.381 ( 3.382 -2.820 -2.168) 4.908 6.530 ( 7.717 5.677 2.483) 9.896 7.063 ( -0.803 -4.221 -1.373) 4.510 7.144 ( -7.346 -0.449 -10.580) 12.888 7.737 ( -3.340 3.246 2.759) 5.414 7.988 ( 2.956 -0.488 3.030) 4.261 8.153 ( 4.070 7.734 1.029) 8.799 8.230 ( 3.821 -1.007 -2.007) 4.432 8.387 ( 1.949 -0.100 0.657) 2.059 8.515 ( 3.497 -1.603 -1.324) 4.069 8.694 ( -0.541 -8.154 -2.280) 8.484 9.007 ( 4.861 6.689 2.202) 8.557 9.163 ( -7.657 0.250 0.937) 7.718 9.337 ( -5.300 -1.295 -0.039) 5.456 9.556 ( 3.519 1.657 -0.173) 3.893 9.699 ( 3.094 0.273 5.164) 6.026 9.781 ( -0.575 -0.113 -3.240) 3.292 10.061 ( 1.042 -5.086 0.029) 5.192 10.243 ( 0.906 1.134 6.152) 6.321 10.382 ( -4.975 2.584 7.642) 9.478 10.504 ( 3.104 2.668 -1.420) 4.332 11.178 ( -10.996 4.684 -7.309) 14.010 11.826 ( 12.628 -2.437 0.594) 12.874 12.085 ( -8.964 -10.152 -2.519) 13.775 12.200 ( 8.543 0.534 -10.260) 13.362 12.938 ( 7.009 0.317 11.269) 13.274 13.679 ( -7.272 -4.771 15.868) 18.095 14.066 ( 10.237 22.767 -2.266) 25.065 14.737 ( 3.603 -7.913 -6.425) 10.811 15.284 ( -7.748 -10.279 -4.349) 13.587 15.639 ( -4.593 12.084 -4.262) 13.612 16.071 ( 2.404 -4.306 4.058) 6.387 16.478 ( -6.420 -1.004 7.009) 9.558 18.035 ( -0.188 -4.133 -12.531) 13.196 20.560 ( 0.410 0.118 0.313) 0.529 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -2.575 1.177 10.852) 11.215 1.921 ( 16.369 -8.607 -12.037) 22.066 2.060 ( 8.592 -0.557 -9.165) 12.575 2.283 ( -0.644 10.620 11.752) 15.853 2.573 ( -5.970 2.152 3.513) 7.254 2.712 ( -6.496 0.327 -2.417) 6.938 3.036 ( 0.586 3.130 3.062) 4.418 3.342 ( 1.284 2.591 2.896) 4.092 3.413 ( 15.444 -3.948 -12.802) 20.445 3.514 ( -6.763 -0.934 6.950) 9.742 3.568 ( -2.804 -3.634 2.300) 5.134 3.800 ( 1.366 -0.668 -0.371) 1.566 3.874 ( -3.058 -6.145 1.947) 7.135 4.031 ( 0.032 3.273 -5.760) 6.625 4.211 ( 4.937 -1.740 5.045) 7.270 4.447 ( -3.010 5.609 0.503) 6.385 4.948 ( -8.437 -11.637 2.096) 14.525 5.111 ( -2.680 9.172 -2.720) 9.935 5.445 ( 4.571 -1.938 1.122) 5.090 5.717 ( 4.747 -0.134 0.124) 4.750 5.883 ( -4.278 2.369 -2.680) 5.576 6.055 ( -1.028 1.252 -3.520) 3.875 6.344 ( 2.902 -0.029 0.716) 2.990 6.502 ( -9.700 -7.208 -2.921) 12.433 6.988 ( 2.248 3.142 7.707) 8.621 7.114 ( 4.292 -2.056 5.924) 7.599 7.790 ( 1.273 -1.834 -0.724) 2.347 8.027 ( -1.206 -1.924 -4.086) 4.675 8.151 ( -0.425 -1.943 1.014) 2.232 8.248 ( -1.022 -4.075 -4.203) 5.942 8.373 ( -1.065 1.283 0.537) 1.752 8.456 ( -2.218 0.822 -2.015) 3.107 8.647 ( 2.257 3.619 2.698) 5.047 9.025 ( -1.432 -3.157 -2.029) 4.017 9.231 ( 3.764 2.724 -0.921) 4.737 9.352 ( -6.188 2.834 -1.044) 6.886 9.468 ( -2.174 2.567 0.643) 3.425 9.752 ( 0.755 0.405 3.095) 3.211 9.791 ( 3.840 -4.771 -1.504) 6.307 10.033 ( -0.793 0.508 -3.620) 3.741 10.290 ( 0.647 -2.839 0.112) 2.914 10.507 ( 0.580 -3.427 0.006) 3.476 10.550 ( 3.271 0.756 -7.467) 8.187 11.175 ( -0.179 1.509 6.615) 6.787 11.726 ( -2.856 -3.343 -0.366) 4.412 11.891 ( -8.477 -1.347 9.660) 12.923 12.269 ( 13.539 8.997 -6.167) 17.387 12.971 ( -6.520 2.002 -8.271) 10.721 13.781 ( -3.639 -0.516 1.510) 3.974 14.167 ( -5.287 -20.835 -9.122) 23.351 14.557 ( -4.587 7.386 4.158) 9.638 15.238 ( 6.562 10.498 5.762) 13.655 15.642 ( -3.736 2.698 0.593) 4.646 16.123 ( 4.054 -5.059 -0.765) 6.528 16.661 ( 9.878 0.806 -7.208) 12.255 17.820 ( -4.783 5.090 11.767) 13.684 20.561 ( -0.280 -0.228 -0.337) 0.493 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 10.139 -12.196 -3.211) 16.182 1.998 ( 14.685 -3.181 -11.075) 18.666 2.135 ( 4.505 9.388 8.454) 13.413 2.474 ( -0.976 5.171 4.641) 7.017 2.592 ( -12.407 8.238 4.887) 15.674 2.599 ( -1.070 1.745 3.209) 3.806 3.097 ( -1.403 3.172 2.458) 4.251 3.298 ( -2.524 -0.611 -4.701) 5.370 3.443 ( -1.201 -4.717 0.920) 4.953 3.516 ( -8.293 -2.613 1.921) 8.904 3.578 ( 17.998 -0.415 -2.843) 18.226 3.787 ( 6.007 -5.371 -5.116) 9.545 3.836 ( 0.444 -1.501 -0.593) 1.673 4.039 ( 0.157 3.236 1.976) 3.795 4.281 ( -0.022 -8.212 6.678) 10.585 4.478 ( -1.329 9.296 0.890) 9.432 4.778 ( -9.113 -7.054 -0.786) 11.551 5.126 ( -1.755 7.703 0.726) 7.933 5.493 ( 2.986 -2.484 1.155) 4.052 5.730 ( -0.068 -3.692 -2.945) 4.724 5.843 ( -0.230 4.402 -0.507) 4.437 5.962 ( -4.159 -2.258 -5.619) 7.347 6.346 ( -6.005 -3.258 1.055) 6.913 6.396 ( 2.857 0.577 -0.432) 2.947 7.047 ( -0.871 -2.695 3.382) 4.411 7.292 ( 3.778 -0.077 11.467) 12.073 7.804 ( 0.620 0.478 1.639) 1.816 7.941 ( -0.971 -3.211 -3.540) 4.877 8.108 ( 0.914 -5.569 -3.956) 6.892 8.182 ( -0.033 -0.981 -0.778) 1.252 8.338 ( -1.133 0.948 -4.852) 5.072 8.471 ( -0.918 4.876 2.854) 5.724 8.677 ( -1.044 -0.949 0.205) 1.425 9.035 ( 7.230 -2.319 0.402) 7.604 9.153 ( -13.230 3.150 -3.675) 14.087 9.342 ( 3.241 6.468 2.562) 7.675 9.531 ( 2.546 3.090 -1.001) 4.127 9.744 ( 0.882 -7.946 -1.932) 8.225 9.789 ( -3.272 2.857 2.533) 5.029 9.962 ( -1.706 -1.646 -4.090) 4.728 10.227 ( -0.872 -5.597 -5.450) 7.861 10.467 ( -1.162 -4.631 -1.951) 5.158 10.548 ( 8.858 -0.291 -4.215) 9.814 11.251 ( -8.678 1.669 9.663) 13.094 11.669 ( 5.830 -3.263 -2.886) 7.277 11.997 ( -4.740 6.182 13.514) 15.599 12.341 ( 5.345 -0.222 -5.587) 7.735 12.778 ( -5.766 5.930 -13.637) 15.949 13.741 ( -2.059 5.203 -12.211) 13.432 13.878 ( -3.877 -18.340 3.803) 19.127 14.583 ( -7.051 -0.693 7.710) 10.471 15.515 ( 10.470 11.550 6.895) 17.046 15.629 ( -4.872 6.341 2.066) 8.259 16.119 ( 5.735 -5.888 -3.251) 8.839 16.674 ( 8.067 -2.730 -7.641) 11.442 17.948 ( -6.191 6.046 11.234) 14.181 20.549 ( -0.407 -0.353 -0.489) 0.727 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 7.613 -8.910 -4.092) 12.414 2.047 ( 15.673 -2.675 -5.447) 16.807 2.318 ( -7.758 6.557 3.284) 10.675 2.479 ( -0.191 4.612 5.724) 7.354 2.544 ( -5.157 4.627 2.352) 7.316 2.775 ( 4.010 5.345 7.127) 9.769 3.071 ( -5.505 0.287 -1.599) 5.740 3.218 ( -0.047 -6.129 -2.016) 6.452 3.329 ( -9.903 -0.239 -3.716) 10.580 3.482 ( 1.555 0.390 1.317) 2.075 3.700 ( 8.048 -3.394 -2.654) 9.128 3.819 ( 6.114 -2.364 -0.643) 6.587 3.840 ( 2.266 4.538 -0.430) 5.090 4.060 ( 3.853 -5.095 -1.565) 6.577 4.309 ( -1.694 -4.662 7.237) 8.773 4.540 ( -1.506 6.038 0.881) 6.286 4.638 ( -5.342 -1.230 -1.438) 5.667 5.205 ( 2.568 6.249 3.242) 7.494 5.488 ( -2.061 -1.576 -1.977) 3.262 5.651 ( -2.619 -3.459 -0.455) 4.362 5.805 ( -5.700 -2.723 -2.969) 6.980 5.892 ( 4.118 0.048 -1.474) 4.374 6.297 ( -3.496 1.010 0.927) 3.755 6.426 ( 2.199 -0.040 -0.421) 2.239 7.048 ( -0.534 -2.552 1.393) 2.956 7.440 ( 0.503 -0.649 7.344) 7.390 7.823 ( -2.293 -0.430 1.851) 2.978 7.909 ( 0.408 0.848 1.580) 1.839 8.027 ( 3.087 -5.543 -5.583) 8.451 8.199 ( 0.582 -0.049 1.717) 1.813 8.299 ( 2.377 1.124 -2.190) 3.422 8.457 ( -6.196 4.576 -4.098) 8.725 8.711 ( 5.343 -1.158 3.444) 6.461 8.962 ( -10.684 -0.252 -1.235) 10.758 9.175 ( 10.883 -0.403 0.759) 10.917 9.432 ( -4.058 3.837 -0.099) 5.585 9.547 ( 0.650 8.223 0.541) 8.266 9.677 ( -0.532 -4.157 -0.256) 4.199 9.801 ( -0.805 0.880 1.099) 1.622 9.868 ( -1.878 -6.070 -3.670) 7.338 10.095 ( -0.968 -4.080 -6.406) 7.657 10.373 ( -2.824 -3.656 -2.976) 5.495 10.619 ( 7.258 -0.774 -0.894) 7.353 11.219 ( -10.204 -0.520 4.906) 11.334 11.774 ( 11.414 1.827 1.136) 11.615 12.164 ( -4.513 7.260 13.440) 15.928 12.286 ( 1.025 -5.750 -4.066) 7.117 12.578 ( -4.214 3.036 -13.123) 14.114 13.512 ( -2.981 -1.966 -12.275) 12.784 13.918 ( 3.230 -1.177 4.680) 5.806 14.578 ( -6.703 -3.636 7.366) 10.602 15.607 ( -1.520 0.768 1.138) 2.048 15.846 ( 7.298 16.061 6.760) 18.892 16.099 ( 4.535 -4.980 -3.618) 7.646 16.618 ( 1.852 -6.328 -5.144) 8.362 18.022 ( -4.163 3.722 5.197) 7.629 20.537 ( -0.293 -0.270 -0.356) 0.534 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 -0.000 -0.000) 0.000 2.160 ( -0.000 0.000 -0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 -0.000 0.000) 0.000 2.606 ( 0.000 -0.000 0.000) 0.000 2.914 ( 0.000 -0.000 -0.000) 0.000 2.966 ( -0.000 -0.000 -0.000) 0.000 3.161 ( -0.000 0.000 0.000) 0.000 3.240 ( 0.000 -0.000 0.000) 0.000 3.513 ( 0.000 -0.000 -0.000) 0.000 3.716 ( 0.000 -0.000 -0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 -0.000 -0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.334 ( -0.000 0.000 -0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 -0.000) 0.000 5.314 ( 0.000 -0.000 -0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 -0.000) 0.000 6.287 ( 0.000 -0.000 0.000) 0.000 6.436 ( 0.000 -0.000 -0.000) 0.000 7.043 ( 0.000 0.000 -0.000) 0.000 7.483 ( 0.000 0.000 -0.000) 0.000 7.814 ( 0.000 0.000 -0.000) 0.000 7.951 ( 0.000 -0.000 -0.000) 0.000 7.978 ( -0.000 0.000 0.000) 0.000 8.218 ( 0.000 -0.000 0.000) 0.000 8.326 ( 0.000 0.000 -0.000) 0.000 8.377 ( -0.000 0.000 -0.000) 0.000 8.816 ( -0.000 -0.000 -0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 -0.000 -0.000) 0.000 9.335 ( 0.000 -0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 -0.000) 0.000 9.768 ( 0.000 -0.000 -0.000) 0.000 9.807 ( -0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 -0.000) 0.000 10.659 ( 0.000 -0.000 -0.000) 0.000 11.179 ( 0.000 -0.000 -0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 -0.000 -0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 -0.000 -0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.972 ( 0.000 0.000 -0.000) 0.000 14.569 ( 0.000 0.000 0.000) 0.000 15.607 ( 0.000 0.000 -0.000) 0.000 16.037 ( 0.000 -0.000 -0.000) 0.000 16.061 ( 0.000 0.000 0.000) 0.000 16.554 ( 0.000 -0.000 -0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 20.532 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.000 -0.000 26.240) 26.240 1.030 ( -0.000 -0.000 26.240) 26.240 2.036 ( -0.000 -0.000 49.441) 49.441 2.709 ( -0.000 0.000 -0.612) 0.612 2.709 ( 0.000 -0.000 -0.612) 0.612 2.821 ( 0.000 0.000 -14.413) 14.413 3.124 ( 0.000 0.000 -11.218) 11.218 3.160 ( 0.000 0.000 -9.714) 9.714 3.160 ( 0.000 -0.000 -9.714) 9.714 3.519 ( 0.000 0.000 -0.332) 0.332 3.519 ( 0.000 0.000 -0.332) 0.332 3.947 ( -0.000 -0.000 10.210) 10.210 4.123 ( -0.000 -0.000 6.436) 6.436 4.223 ( 0.000 0.000 0.204) 0.204 4.223 ( 0.000 0.000 0.204) 0.204 4.656 ( 0.000 0.000 -11.402) 11.402 4.953 ( 0.000 0.000 -8.106) 8.106 4.953 ( 0.000 -0.000 -8.106) 8.106 5.543 ( -0.000 -0.000 5.164) 5.164 5.667 ( 0.000 -0.000 5.337) 5.337 5.667 ( 0.000 -0.000 5.337) 5.337 6.382 ( 0.000 0.000 -5.658) 5.658 6.382 ( 0.000 -0.000 -5.658) 5.658 6.595 ( 0.000 0.000 -10.333) 10.333 7.060 ( 0.000 -0.000 5.468) 5.468 7.060 ( 0.000 -0.000 5.468) 5.468 8.088 ( 0.000 0.000 -4.018) 4.018 8.088 ( 0.000 0.000 -4.018) 4.018 8.114 ( -0.000 -0.000 7.660) 7.660 8.269 ( 0.000 0.000 -10.099) 10.099 8.519 ( 0.000 0.000 -5.130) 5.130 8.519 ( 0.000 0.000 -5.130) 5.130 8.999 ( 0.000 0.000 -2.993) 2.993 8.999 ( 0.000 -0.000 -2.993) 2.993 9.072 ( 0.000 0.000 -5.833) 5.833 9.306 ( -0.000 -0.000 0.870) 0.870 9.405 ( 0.000 -0.000 4.949) 4.949 9.405 ( 0.000 -0.000 4.949) 4.949 10.187 ( -0.000 -0.000 1.012) 1.012 10.187 ( 0.000 -0.000 1.012) 1.012 10.343 ( -0.000 -0.000 7.564) 7.564 10.534 ( 0.000 -0.000 10.089) 10.089 10.534 ( 0.000 0.000 10.089) 10.089 10.558 ( 0.000 0.000 -1.955) 1.955 11.423 ( -0.000 -0.000 3.872) 3.872 12.453 ( 0.000 0.000 -1.262) 1.262 12.693 ( -0.000 0.000 -14.815) 14.815 12.693 ( 0.000 -0.000 -14.815) 14.815 14.113 ( 0.000 0.000 -1.595) 1.595 14.113 ( 0.000 -0.000 -1.595) 1.595 14.215 ( -0.000 -0.000 2.605) 2.605 15.157 ( 0.000 0.000 -1.432) 1.432 15.157 ( 0.000 -0.000 -1.432) 1.432 16.632 ( 0.000 0.000 17.434) 17.434 16.632 ( 0.000 -0.000 17.434) 17.434 17.288 ( 0.000 0.000 -15.098) 15.098 20.570 ( 0.000 0.000 -0.089) 0.089 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 2.265 8.547 23.689) 25.285 1.440 ( 12.478 0.557 23.564) 26.670 2.507 ( -6.849 -11.733 -1.040) 13.625 2.650 ( -4.551 6.451 -0.875) 7.943 2.694 ( 2.762 0.722 21.440) 21.629 2.737 ( -4.722 -5.034 3.948) 7.951 2.942 ( -1.573 -2.328 -12.076) 12.399 2.950 ( -3.163 6.142 -8.484) 10.941 3.185 ( 12.259 1.046 -6.823) 14.069 3.471 ( -3.842 -2.145 5.271) 6.866 3.584 ( 2.209 2.014 0.309) 3.005 4.014 ( -2.597 -1.719 2.277) 3.859 4.151 ( -4.238 -3.330 -3.512) 6.433 4.190 ( -3.691 0.141 5.382) 6.527 4.265 ( 2.637 1.593 2.743) 4.125 4.499 ( -2.424 -1.937 -11.261) 11.680 4.826 ( 3.408 -3.192 -8.124) 9.370 4.948 ( 4.430 8.227 -5.226) 10.706 5.562 ( -4.888 -4.245 5.659) 8.599 5.706 ( 2.017 1.207 2.465) 3.406 5.770 ( 3.418 2.491 0.627) 4.276 6.202 ( -8.407 -5.361 -6.225) 11.754 6.366 ( 3.744 -1.314 -4.140) 5.734 6.511 ( 2.304 5.893 -8.009) 10.207 7.053 ( -6.382 -3.395 8.178) 10.915 7.174 ( 0.375 -0.196 5.247) 5.264 8.008 ( -5.192 -3.571 -2.230) 6.685 8.082 ( -3.101 -1.039 -3.568) 4.840 8.103 ( 4.474 0.570 -1.164) 4.658 8.190 ( -2.280 -0.448 3.961) 4.592 8.457 ( -2.395 5.180 -7.804) 9.668 8.469 ( 4.939 -3.362 -5.033) 7.812 8.866 ( -7.185 -7.064 -3.896) 10.803 8.952 ( -0.683 6.317 -1.840) 6.615 9.116 ( 8.685 1.297 -3.035) 9.291 9.270 ( -2.980 -0.479 -2.179) 3.723 9.421 ( 0.029 -4.007 3.351) 5.224 9.510 ( 2.544 3.733 4.913) 6.674 10.084 ( -8.339 -2.698 -1.541) 8.899 10.234 ( 2.373 0.013 -0.481) 2.421 10.428 ( 0.771 4.696 -2.983) 5.617 10.526 ( -1.943 -13.863 6.165) 15.296 10.599 ( -3.157 3.220 5.892) 7.419 10.754 ( 6.508 4.156 10.063) 12.685 11.556 ( 8.957 9.171 1.615) 12.921 12.245 ( -20.381 1.363 -5.941) 21.273 12.413 ( 4.343 -20.545 -7.248) 22.214 12.770 ( 10.856 14.901 -11.683) 21.826 13.857 ( -12.694 -0.793 0.045) 12.718 14.143 ( 13.583 -10.229 -6.597) 18.239 14.409 ( 5.528 13.889 -4.874) 15.723 15.113 ( -3.339 -1.314 5.931) 6.932 15.278 ( 7.135 3.401 4.666) 9.179 16.630 ( -18.108 -2.065 14.327) 23.183 16.865 ( -0.236 -13.136 5.368) 14.192 17.274 ( 15.646 14.294 -5.243) 21.831 20.567 ( -0.038 -0.019 -0.364) 0.366 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 2.846 8.875 19.757) 21.845 1.897 ( 14.307 2.285 19.535) 24.321 2.254 ( -9.288 -11.833 -7.271) 16.708 2.366 ( -12.169 -16.154 -10.718) 22.889 2.617 ( -8.012 9.096 -0.003) 12.121 2.732 ( -5.621 5.546 -8.453) 11.568 2.933 ( 6.093 -1.462 -3.003) 6.948 3.193 ( 8.179 -0.410 5.737) 9.999 3.331 ( 9.067 3.801 17.098) 19.724 3.528 ( -0.148 0.453 5.203) 5.225 3.606 ( 0.132 0.199 0.823) 0.857 3.941 ( -6.855 -1.223 -1.929) 7.226 3.986 ( -3.177 -3.222 -8.779) 9.877 4.146 ( -11.454 -1.452 -5.278) 12.695 4.278 ( 1.249 -4.017 2.664) 4.979 4.394 ( -3.206 2.356 2.070) 4.485 4.822 ( 12.099 -4.173 -3.777) 13.344 5.013 ( 2.585 12.290 -3.358) 13.000 5.531 ( -3.774 -4.352 2.575) 6.310 5.749 ( 1.015 -4.081 1.299) 4.402 5.803 ( 2.413 4.868 -4.788) 7.242 6.024 ( -3.273 -1.492 -3.573) 5.070 6.335 ( 3.073 -6.206 -3.537) 7.776 6.511 ( 1.344 10.330 -5.119) 11.607 7.066 ( -6.298 -5.137 10.447) 13.236 7.215 ( -3.899 -2.184 7.042) 8.340 7.865 ( -4.498 -2.866 -3.249) 6.245 8.064 ( 0.078 1.554 -1.190) 1.958 8.169 ( -1.800 -1.876 0.605) 2.669 8.196 ( 6.294 2.273 0.791) 6.739 8.360 ( -1.663 2.631 -6.193) 6.931 8.448 ( 2.408 -1.674 -5.238) 6.003 8.709 ( -7.444 -0.963 0.511) 7.523 8.999 ( 4.645 -0.304 -0.606) 4.694 9.184 ( 3.719 0.987 -0.790) 3.928 9.228 ( 1.648 6.254 -2.847) 7.066 9.424 ( -0.203 -3.745 2.088) 4.293 9.636 ( 6.118 2.500 2.400) 7.032 9.947 ( -7.005 -1.298 -2.441) 7.531 10.167 ( -6.765 -3.373 -5.395) 9.287 10.394 ( -2.845 -1.599 1.195) 3.475 10.480 ( 3.063 -7.733 -2.239) 8.613 10.610 ( -4.624 2.472 -0.835) 5.309 10.993 ( 8.208 3.158 9.733) 13.118 11.781 ( 8.204 14.397 3.666) 16.971 11.987 ( -14.764 0.376 -1.509) 14.846 12.234 ( 0.636 -19.649 -4.075) 20.077 12.829 ( 7.073 10.782 -10.246) 16.470 13.739 ( -0.028 -1.856 -8.285) 8.490 14.182 ( 15.792 -4.634 -6.541) 17.710 14.437 ( -4.081 9.315 -1.458) 10.274 15.179 ( -0.312 -4.055 9.246) 10.100 15.490 ( 6.511 8.843 8.562) 13.925 16.509 ( -21.839 1.404 4.468) 22.335 16.731 ( -0.511 -13.461 -5.112) 14.408 17.576 ( 12.862 7.055 8.851) 17.133 20.561 ( 0.062 0.050 -0.590) 0.595 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -13.627 -18.105 -6.124) 23.473 1.896 ( -14.487 -10.794 -11.120) 21.214 2.167 ( -2.183 11.003 11.735) 16.234 2.298 ( 10.020 -1.507 13.588) 16.951 2.647 ( 1.788 9.246 4.635) 10.496 2.712 ( 0.521 7.281 1.264) 7.408 2.980 ( 6.872 -3.144 0.336) 7.565 3.234 ( 5.988 -4.636 -4.186) 8.652 3.403 ( -14.222 -11.066 -4.308) 18.527 3.547 ( -4.049 0.298 -1.643) 4.380 3.698 ( 1.783 7.864 4.830) 9.399 3.804 ( -1.229 -5.677 -7.252) 9.292 3.865 ( -0.977 0.108 -3.118) 3.269 4.048 ( -3.083 4.412 9.102) 10.574 4.311 ( -0.815 -0.120 2.558) 2.687 4.407 ( 1.492 1.504 1.083) 2.379 4.926 ( 11.922 -5.734 1.436) 13.307 5.083 ( -0.058 13.980 -2.752) 14.248 5.479 ( -3.245 -4.597 1.188) 5.751 5.721 ( -1.378 -4.146 1.387) 4.584 5.766 ( 2.583 1.005 -8.573) 9.010 6.040 ( 3.355 5.267 1.037) 6.330 6.275 ( 3.073 -6.347 -3.530) 7.886 6.539 ( 0.771 8.656 -3.653) 9.427 7.083 ( -4.818 -5.677 8.152) 11.041 7.245 ( -4.839 -3.361 9.435) 11.124 7.795 ( -1.034 -0.556 -1.074) 1.591 8.022 ( -4.092 2.564 -3.928) 6.225 8.175 ( 3.013 0.189 0.133) 3.022 8.239 ( -1.230 3.381 -3.393) 4.946 8.359 ( 6.693 -0.670 1.822) 6.969 8.385 ( 0.309 2.415 -4.890) 5.463 8.671 ( -3.389 -2.818 2.791) 5.217 9.022 ( 2.198 1.319 -0.955) 2.735 9.202 ( -0.883 3.581 -1.804) 4.106 9.308 ( 5.202 1.706 0.213) 5.479 9.453 ( 3.679 1.670 2.256) 4.628 9.721 ( 4.031 -2.465 -0.604) 4.764 9.819 ( -6.979 -3.943 -3.098) 8.594 9.999 ( -2.618 -0.228 -3.789) 4.611 10.362 ( -5.297 1.155 -0.533) 5.448 10.417 ( 1.421 -4.267 -5.983) 7.485 10.528 ( -1.807 0.161 -4.278) 4.647 11.241 ( 6.754 2.716 11.494) 13.606 11.810 ( -9.604 3.615 -2.757) 10.626 12.043 ( 0.150 -5.327 4.595) 7.037 12.090 ( 5.442 1.303 3.570) 6.637 12.837 ( 5.273 7.052 -9.961) 13.295 13.583 ( 4.238 -8.647 -14.875) 17.720 14.221 ( 8.126 4.972 -12.997) 16.114 14.513 ( 1.540 3.643 10.887) 11.584 15.251 ( -1.151 -6.351 8.560) 10.721 15.750 ( 4.336 11.956 9.861) 16.093 16.258 ( -18.586 1.304 -5.443) 19.410 16.573 ( -4.636 -11.252 -1.630) 12.279 17.863 ( 9.612 0.914 10.269) 14.095 20.555 ( 0.248 0.167 -0.629) 0.697 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -18.819 -18.255 -8.954) 27.705 1.488 ( -18.865 -12.901 -8.750) 24.472 2.310 ( -7.178 3.037 7.532) 10.839 2.569 ( 7.241 4.437 11.743) 14.492 2.794 ( -3.121 5.252 0.577) 6.136 2.874 ( 6.089 7.113 8.575) 12.697 2.936 ( -10.211 -10.724 -7.162) 16.449 3.072 ( -1.503 -2.835 0.316) 3.224 3.248 ( 6.504 -6.850 -0.271) 9.450 3.497 ( -0.965 0.282 1.375) 1.703 3.645 ( 1.450 -4.414 -6.538) 8.021 3.767 ( -0.004 4.563 -6.818) 8.204 3.854 ( -1.829 5.945 -0.924) 6.289 4.161 ( 2.496 -0.127 3.375) 4.200 4.311 ( -2.437 0.849 0.028) 2.580 4.546 ( 9.031 5.329 6.496) 12.335 5.038 ( 9.380 -5.609 0.928) 10.969 5.133 ( -1.997 12.774 -1.680) 13.038 5.431 ( -2.657 -6.087 2.966) 7.274 5.680 ( 0.133 -0.159 -7.447) 7.450 5.713 ( -1.102 -1.879 1.916) 2.902 6.134 ( 1.480 5.733 2.626) 6.477 6.277 ( 10.372 -3.099 -3.035) 11.242 6.548 ( 0.223 6.477 -4.293) 7.774 7.065 ( -3.742 -3.275 2.169) 5.425 7.289 ( -4.678 -6.032 11.239) 13.586 7.759 ( -5.319 -1.005 -2.388) 5.916 7.939 ( 0.590 2.909 -4.691) 5.551 8.178 ( 1.727 1.466 -2.238) 3.184 8.274 ( 1.894 6.799 0.755) 7.098 8.383 ( 3.012 3.294 -1.698) 4.776 8.487 ( 6.124 0.099 4.776) 7.767 8.642 ( 0.147 -5.591 2.014) 5.945 9.063 ( -0.221 6.840 -1.033) 6.921 9.150 ( -3.749 -1.965 -1.900) 4.639 9.337 ( -1.938 -1.604 0.508) 2.566 9.540 ( 5.536 -1.163 -3.414) 6.608 9.648 ( -0.528 0.766 -2.329) 2.508 9.770 ( 0.942 -1.916 1.711) 2.736 10.001 ( 3.699 -0.367 -0.430) 3.742 10.236 ( -7.244 3.944 -6.783) 10.679 10.332 ( -2.625 -4.858 -1.516) 5.726 10.512 ( 3.932 1.606 -1.947) 4.672 11.411 ( -10.637 -0.978 12.028) 16.087 11.751 ( 7.382 5.311 -3.679) 9.810 11.970 ( 2.347 -10.119 1.800) 10.543 12.382 ( 5.878 12.528 12.601) 18.716 12.807 ( 3.397 6.662 -10.235) 12.676 13.347 ( 2.958 -12.382 -17.643) 21.756 14.153 ( 2.124 3.686 -10.973) 11.769 14.737 ( 6.743 3.602 9.851) 12.469 15.272 ( -3.211 -6.849 6.189) 9.774 15.970 ( -17.861 10.472 -0.155) 20.706 15.991 ( 4.057 1.471 0.951) 4.419 16.432 ( -5.648 -11.004 2.407) 12.601 18.074 ( 7.117 -0.576 6.931) 9.951 20.554 ( 0.419 0.260 -0.454) 0.670 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -19.943 -16.273 -1.935) 25.813 1.077 ( -22.731 -12.109 -0.485) 25.760 2.067 ( -34.603 -18.499 3.897) 39.430 2.689 ( -1.772 -2.769 6.271) 7.081 2.726 ( -2.275 2.089 -3.522) 4.684 2.909 ( 9.887 5.933 1.864) 11.680 3.059 ( 5.829 5.708 1.818) 8.358 3.176 ( 8.193 2.375 0.501) 8.545 3.297 ( 3.142 -0.880 4.401) 5.479 3.431 ( -1.128 1.234 -8.402) 8.566 3.677 ( -0.967 3.597 -5.182) 6.382 3.729 ( 8.064 -4.096 3.474) 9.689 3.816 ( -2.128 3.176 -1.947) 4.290 4.202 ( 4.048 -2.678 -3.589) 6.036 4.286 ( -4.435 1.743 3.382) 5.843 4.786 ( 11.733 7.976 1.942) 14.319 5.067 ( 4.524 -1.696 -5.217) 7.111 5.186 ( -1.689 7.098 2.456) 7.699 5.411 ( -0.215 -6.286 3.397) 7.149 5.571 ( -2.810 -0.470 -6.983) 7.542 5.706 ( -4.835 -2.823 5.549) 7.883 6.258 ( 5.611 7.108 3.454) 9.692 6.365 ( 12.838 -2.374 -3.711) 13.573 6.528 ( 0.459 6.019 -6.106) 8.586 7.014 ( -4.501 0.796 -0.414) 4.590 7.310 ( -5.869 -7.333 7.909) 12.279 7.569 ( -10.640 -4.894 -4.038) 12.388 7.999 ( 7.452 4.296 -0.680) 8.628 8.208 ( 2.871 1.869 -0.833) 3.525 8.339 ( 4.940 4.796 -2.749) 7.414 8.462 ( 5.271 3.530 1.238) 6.464 8.573 ( 0.347 2.922 1.364) 3.244 8.706 ( 8.425 -5.253 4.894) 11.069 8.977 ( -9.399 0.085 -4.010) 10.219 9.107 ( -3.836 -0.420 1.464) 4.127 9.292 ( -1.966 -1.851 0.527) 2.751 9.568 ( 5.977 7.305 -4.173) 10.320 9.587 ( -0.894 -10.289 -3.716) 10.976 9.814 ( -2.378 4.503 2.057) 5.492 10.043 ( 5.276 -3.216 2.650) 6.723 10.170 ( -1.997 5.112 0.930) 5.566 10.242 ( -3.468 -4.230 -1.432) 5.654 10.571 ( 5.824 2.827 -1.507) 6.647 11.269 ( -17.031 -7.181 1.475) 18.542 11.965 ( 16.459 8.961 -2.405) 18.894 12.028 ( 2.401 -1.483 11.380) 11.725 12.602 ( 0.387 3.553 -1.409) 3.842 12.841 ( 3.104 13.904 6.480) 15.651 13.062 ( 3.455 -13.376 -17.090) 21.976 14.053 ( -0.227 1.397 -9.491) 9.596 14.924 ( 4.860 0.432 5.281) 7.190 15.241 ( -3.386 -3.749 1.211) 5.195 15.738 ( -12.121 -1.551 -3.439) 12.694 16.112 ( 1.487 5.421 -0.046) 5.622 16.389 ( -5.085 -8.678 12.982) 16.423 18.188 ( 4.294 2.449 -2.157) 5.393 20.557 ( 0.471 0.272 -0.173) 0.571 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -18.366 -9.270 11.478) 23.558 0.854 ( -19.289 -9.495 19.818) 29.240 1.577 ( -38.270 -23.931 19.306) 49.092 2.622 ( 0.385 2.738 -7.341) 7.845 2.787 ( 1.286 -2.709 5.617) 6.367 3.049 ( 7.325 1.339 -6.741) 10.045 3.151 ( 7.105 1.195 0.318) 7.211 3.220 ( -0.220 4.703 -2.995) 5.580 3.311 ( 1.325 6.535 -8.175) 10.550 3.483 ( 4.630 5.889 2.730) 7.973 3.597 ( 4.445 -4.415 -5.626) 8.421 3.718 ( -1.219 2.623 -1.715) 3.362 3.956 ( 0.955 -2.048 12.054) 12.264 4.144 ( 2.371 1.723 -7.272) 7.841 4.309 ( -0.811 -2.253 2.984) 3.826 4.909 ( 1.821 2.100 -4.707) 5.466 5.042 ( 6.388 2.745 -7.395) 10.151 5.225 ( -1.853 3.354 -1.480) 4.107 5.415 ( 2.202 -5.032 1.775) 5.772 5.462 ( -3.346 1.271 -1.200) 3.775 5.700 ( -6.856 -3.851 7.752) 11.042 6.379 ( 9.678 0.080 -4.977) 10.883 6.469 ( 2.093 4.203 -1.445) 4.912 6.533 ( 10.714 5.486 -1.758) 12.165 6.966 ( -5.757 4.810 -1.190) 7.596 7.196 ( -8.318 -6.762 -1.152) 10.781 7.501 ( -2.297 -3.431 14.421) 15.000 8.103 ( 6.876 3.897 -2.283) 8.227 8.212 ( 2.935 -2.222 -4.041) 5.466 8.416 ( 8.948 2.596 -4.039) 10.155 8.485 ( 0.219 -0.036 -6.615) 6.619 8.664 ( 5.468 8.109 3.193) 10.288 8.783 ( -1.918 -0.134 0.442) 1.973 8.911 ( 1.879 -3.199 8.066) 8.878 9.082 ( -4.979 5.308 1.566) 7.444 9.257 ( 1.307 -9.299 -0.125) 9.391 9.425 ( -2.355 -9.286 -4.712) 10.676 9.605 ( -10.892 5.555 1.329) 12.299 9.895 ( 11.208 5.223 2.396) 12.595 10.122 ( -0.122 -1.385 2.997) 3.304 10.173 ( -0.602 -1.487 0.682) 1.743 10.265 ( 3.131 2.872 7.426) 8.556 10.624 ( 4.309 1.480 -3.274) 5.610 10.987 ( -15.585 -11.581 -5.173) 20.094 11.968 ( -13.747 -4.210 -13.380) 19.640 12.173 ( 11.231 10.380 -5.531) 16.263 12.763 ( 10.770 7.258 13.770) 18.928 12.896 ( 12.274 -8.988 1.615) 15.298 13.092 ( -1.371 11.443 9.006) 14.626 13.951 ( 0.460 1.729 -6.009) 6.269 14.972 ( -1.866 -5.253 0.619) 5.609 15.176 ( -2.528 3.350 -4.959) 6.497 15.558 ( -6.346 -8.316 -3.913) 11.169 16.148 ( 1.823 2.351 0.224) 2.983 16.473 ( -4.975 -8.184 17.047) 19.553 18.081 ( -5.546 3.910 -21.390) 22.441 20.564 ( 0.361 0.203 0.045) 0.417 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 2.553 1.930 22.622) 22.847 1.751 ( -2.313 11.516 21.388) 24.401 2.460 ( -6.127 -9.455 -4.867) 12.273 2.545 ( 1.035 -12.413 -3.829) 13.032 2.661 ( 2.689 -8.861 -11.725) 14.941 2.848 ( -0.026 9.727 -0.786) 9.759 2.907 ( 14.501 0.880 -8.340) 16.752 3.021 ( -12.748 10.077 -3.372) 16.596 3.199 ( -0.705 4.561 29.635) 29.992 3.529 ( 0.944 -4.369 3.766) 5.845 3.584 ( -0.659 -0.469 2.500) 2.628 3.994 ( -0.472 -6.748 -2.822) 7.329 4.145 ( 4.250 -5.440 -3.635) 7.802 4.154 ( -0.358 -0.085 -4.822) 4.836 4.302 ( -1.604 1.303 0.140) 2.071 4.474 ( 0.689 2.754 3.743) 4.697 4.720 ( -6.385 -2.616 -7.283) 10.033 4.874 ( 5.558 9.306 -4.290) 11.657 5.630 ( -2.683 -3.424 -3.396) 5.518 5.667 ( 2.151 -3.398 4.887) 6.329 5.789 ( -0.496 7.334 -2.600) 7.797 6.195 ( 8.070 -5.650 -5.162) 11.122 6.231 ( -10.952 -4.908 -3.061) 12.386 6.442 ( 3.412 7.933 -5.551) 10.265 7.168 ( -0.081 -7.646 10.402) 12.910 7.266 ( -0.037 -0.257 8.284) 8.288 7.962 ( 1.180 -7.562 -5.149) 9.225 8.001 ( -1.352 -2.097 -2.828) 3.771 8.120 ( -0.521 5.556 1.294) 5.728 8.241 ( -0.162 -3.845 0.859) 3.943 8.340 ( 3.054 1.048 -5.404) 6.295 8.435 ( -2.970 7.551 -7.373) 10.963 8.782 ( 0.029 -8.766 -1.963) 8.983 8.954 ( 4.506 0.885 -3.170) 5.580 9.091 ( -3.604 12.702 -1.872) 13.335 9.243 ( -0.124 -2.904 -1.879) 3.461 9.442 ( -0.290 -6.108 4.342) 7.499 9.571 ( 0.055 3.469 2.909) 4.528 10.106 ( 8.003 -5.788 -3.184) 10.377 10.136 ( -6.955 -3.523 -3.874) 8.706 10.383 ( 0.516 4.378 -4.012) 5.961 10.554 ( -5.104 -10.947 0.633) 12.095 10.729 ( 1.278 2.922 2.769) 4.223 10.859 ( 1.209 5.896 8.814) 10.673 11.573 ( 2.476 10.508 3.408) 11.321 12.130 ( 3.547 -16.929 -4.486) 17.869 12.427 ( -14.932 -1.511 -2.331) 15.188 12.608 ( 10.612 15.425 -10.753) 21.591 13.789 ( 1.182 -7.589 -11.094) 13.493 13.965 ( -4.854 -0.397 -5.680) 7.482 14.447 ( 2.604 10.831 0.642) 11.158 15.220 ( -2.038 -2.814 10.730) 11.278 15.374 ( 2.158 7.238 9.260) 11.950 16.676 ( 4.772 -17.547 -1.833) 18.276 16.966 ( -6.098 -0.428 -4.914) 7.843 17.295 ( 1.578 15.125 16.753) 22.626 20.560 ( 0.004 -0.085 -0.700) 0.705 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 7.491 2.011 17.277) 18.938 2.050 ( -2.662 5.958 13.897) 15.353 2.240 ( -9.874 -8.877 -1.745) 13.392 2.273 ( -7.561 -13.044 -5.249) 15.964 2.652 ( 8.485 -2.312 -0.300) 8.800 2.802 ( -6.643 8.139 -6.575) 12.394 2.910 ( -6.290 7.785 -0.623) 10.028 3.045 ( 9.002 -1.148 0.956) 9.125 3.495 ( -0.757 -4.176 1.010) 4.363 3.527 ( 5.208 -3.849 6.497) 9.173 3.662 ( 1.183 5.064 6.684) 8.468 3.861 ( -4.103 -6.720 -5.815) 9.788 4.027 ( -7.148 2.337 -5.198) 9.142 4.173 ( 5.684 -5.625 1.782) 8.193 4.281 ( -4.965 6.860 -0.256) 8.472 4.457 ( -5.719 -4.647 -2.402) 7.751 4.670 ( 7.628 -2.688 3.573) 8.842 4.997 ( 6.344 13.122 -1.939) 14.703 5.533 ( -1.263 -2.933 -3.781) 4.949 5.701 ( 2.191 -0.423 -2.077) 3.048 5.768 ( -2.270 0.469 -2.056) 3.098 6.060 ( -6.210 -1.427 -2.134) 6.720 6.189 ( 4.766 -5.153 -2.320) 7.393 6.483 ( 3.588 7.081 -4.042) 8.908 7.214 ( -3.822 -9.261 9.692) 13.940 7.352 ( -3.133 -2.096 9.386) 10.115 7.843 ( -3.103 -2.990 -3.138) 5.331 7.985 ( 6.718 -3.204 -3.289) 8.137 8.178 ( 0.445 7.325 -2.194) 7.660 8.203 ( -2.560 -0.865 1.426) 3.055 8.295 ( 0.921 0.899 -7.031) 7.148 8.371 ( -0.045 0.740 -3.261) 3.345 8.756 ( 0.319 0.112 0.837) 0.902 8.956 ( 1.746 -2.176 -1.574) 3.203 9.143 ( 2.789 5.079 0.319) 5.804 9.223 ( -0.311 6.200 -0.773) 6.255 9.463 ( -0.433 -3.509 4.001) 5.340 9.619 ( 1.710 0.232 1.657) 2.393 9.979 ( -6.364 -1.834 -4.225) 7.856 10.080 ( 2.604 -6.532 -6.638) 9.670 10.352 ( 0.443 3.482 -6.146) 7.078 10.391 ( -1.412 -11.014 -3.780) 11.730 10.686 ( -8.009 1.207 -2.422) 8.454 11.061 ( 7.258 4.873 7.623) 11.599 11.797 ( 8.282 11.159 5.346) 14.890 12.024 ( 0.458 -8.547 0.743) 8.592 12.231 ( -13.111 -2.918 -0.238) 13.434 12.682 ( 8.016 7.845 -9.105) 14.447 13.557 ( -2.529 -5.791 -13.033) 14.484 13.948 ( 8.294 5.458 -7.947) 12.718 14.541 ( -0.292 2.617 5.741) 6.316 15.307 ( -3.561 -2.236 11.324) 12.080 15.618 ( 5.745 9.188 10.758) 15.269 16.502 ( 0.216 -3.299 -16.515) 16.843 16.823 ( -13.590 -12.518 8.119) 20.182 17.633 ( 7.337 9.583 12.174) 17.142 20.550 ( 0.159 -0.025 -0.865) 0.880 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -15.848 -17.730 -5.181) 24.339 1.922 ( -16.232 -10.665 -2.710) 19.610 2.356 ( 8.744 1.994 12.655) 15.511 2.423 ( -0.015 10.395 12.964) 16.617 2.744 ( -2.776 10.424 -0.165) 10.788 2.786 ( 8.581 -0.766 5.432) 10.185 2.919 ( -0.818 3.207 1.037) 3.469 3.095 ( 1.380 -4.340 -0.805) 4.625 3.389 ( 1.386 -10.256 -2.415) 10.627 3.590 ( -0.837 -0.428 -2.286) 2.471 3.633 ( -10.056 -5.306 -6.676) 13.185 3.794 ( 1.661 7.013 0.967) 7.272 3.876 ( -5.050 0.766 -7.249) 8.867 4.165 ( -5.379 -4.110 -2.365) 7.170 4.299 ( 5.305 0.671 1.845) 5.657 4.446 ( 0.711 4.416 5.098) 6.782 4.796 ( 9.199 -5.516 3.266) 11.213 5.128 ( 2.268 12.787 -0.522) 12.997 5.469 ( -0.016 -3.214 -1.924) 3.746 5.668 ( 0.492 4.000 -6.209) 7.402 5.726 ( -1.006 -4.207 1.625) 4.621 6.014 ( 4.035 -0.112 -3.219) 5.163 6.186 ( 0.368 -2.130 1.326) 2.535 6.513 ( 2.779 4.844 -4.096) 6.926 7.188 ( -5.078 -7.514 4.419) 10.088 7.402 ( -4.352 -3.265 8.845) 10.384 7.791 ( -0.712 1.057 -0.596) 1.407 8.018 ( 5.846 -2.534 -1.850) 6.635 8.077 ( -3.612 2.351 -9.093) 10.063 8.247 ( 0.168 1.836 -0.024) 1.844 8.272 ( 4.171 1.192 -1.723) 4.668 8.385 ( 3.222 2.125 2.589) 4.648 8.737 ( -5.691 -0.817 -0.047) 5.749 8.973 ( 5.640 -0.398 0.433) 5.670 9.228 ( 6.187 -0.928 -0.442) 6.272 9.265 ( -2.766 8.687 0.858) 9.157 9.483 ( -2.001 1.723 2.607) 3.711 9.669 ( 3.566 -2.968 2.861) 5.451 9.821 ( -6.932 -5.682 -5.057) 10.291 9.962 ( -0.177 -0.175 -5.026) 5.032 10.294 ( 2.412 -0.246 -7.997) 8.357 10.327 ( 5.908 -2.660 -3.801) 7.512 10.541 ( -9.845 0.108 -2.872) 10.256 11.291 ( 11.478 4.047 6.071) 13.600 11.900 ( -5.902 4.858 0.806) 7.687 11.988 ( -6.108 -11.227 -0.964) 12.817 12.221 ( 5.598 8.639 11.545) 15.468 12.686 ( 5.879 2.713 -8.925) 11.026 13.341 ( -2.526 -5.230 -10.490) 11.990 13.980 ( 9.088 6.913 -11.330) 16.086 14.644 ( 1.604 -0.074 8.117) 8.274 15.379 ( -4.759 -2.171 9.997) 11.283 15.871 ( 5.207 7.690 7.720) 12.076 16.268 ( -4.302 3.902 -15.571) 16.619 16.660 ( -12.973 -16.915 8.376) 22.904 17.898 ( 6.541 4.902 8.547) 11.827 20.543 ( 0.424 0.126 -0.768) 0.886 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -19.682 -15.065 -0.253) 24.787 1.616 ( -21.007 -9.502 2.205) 23.161 2.531 ( -4.562 2.034 8.763) 10.087 2.645 ( 6.575 7.125 7.598) 12.318 2.807 ( -0.849 -4.375 -8.407) 9.515 2.881 ( 3.641 3.799 4.776) 7.107 2.951 ( 1.517 -2.690 0.341) 3.107 3.094 ( 0.395 3.142 4.379) 5.404 3.273 ( -15.980 -7.143 4.232) 18.009 3.481 ( 7.338 -5.473 -0.248) 9.158 3.526 ( -3.031 2.644 -2.387) 4.677 3.713 ( -2.421 2.211 -10.018) 10.541 3.853 ( 0.880 4.612 -5.580) 7.293 4.073 ( 5.117 -5.255 -4.320) 8.512 4.361 ( -0.043 2.009 1.170) 2.326 4.585 ( 3.924 6.664 4.701) 9.051 4.884 ( 9.349 -5.729 -1.086) 11.018 5.213 ( -0.439 7.742 1.322) 7.867 5.427 ( -0.714 -1.739 -1.611) 2.475 5.625 ( -1.309 0.925 -3.401) 3.759 5.745 ( 1.301 -0.117 3.696) 3.920 6.051 ( 10.565 -1.123 -4.793) 11.656 6.210 ( -0.635 1.998 3.065) 3.713 6.511 ( 1.693 3.090 -4.784) 5.941 7.123 ( -4.167 -2.560 0.493) 4.915 7.425 ( -3.540 -4.469 6.190) 8.415 7.783 ( -4.163 1.352 -2.773) 5.182 7.910 ( -3.119 1.982 -4.355) 5.711 8.077 ( 8.402 -4.229 -2.360) 9.698 8.266 ( 1.502 3.446 -0.236) 3.766 8.323 ( 5.528 2.927 -3.162) 7.009 8.516 ( 4.691 2.026 6.497) 8.266 8.646 ( -4.158 -4.288 -0.325) 5.982 9.063 ( 4.795 0.591 1.401) 5.030 9.204 ( -5.767 1.258 -0.563) 5.930 9.328 ( 5.041 3.560 -1.841) 6.440 9.447 ( -5.467 -1.020 -1.145) 5.678 9.627 ( -3.615 -4.584 -3.338) 6.725 9.824 ( 4.029 2.113 9.512) 10.544 9.939 ( 2.717 0.137 -3.250) 4.239 10.235 ( 0.384 2.458 -4.570) 5.203 10.344 ( 2.449 -1.740 -2.280) 3.772 10.412 ( -2.304 0.527 -3.056) 3.864 11.537 ( 16.589 4.504 0.659) 17.202 11.687 ( -15.468 -6.986 -5.031) 17.703 11.998 ( -0.490 1.682 9.372) 9.535 12.510 ( 6.335 5.830 6.892) 11.028 12.672 ( 8.412 0.109 -2.886) 8.894 13.150 ( -7.664 -0.028 -6.874) 10.296 13.972 ( 6.166 3.010 -9.809) 11.970 14.764 ( 6.036 1.743 1.460) 6.450 15.406 ( -7.373 -1.817 7.869) 10.935 15.951 ( -3.419 -3.418 -3.093) 5.739 16.125 ( -2.461 9.146 -5.123) 10.768 16.533 ( -7.751 -15.734 11.581) 21.018 18.071 ( 4.941 4.134 2.650) 6.966 20.543 ( 0.651 0.289 -0.452) 0.844 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -20.566 -8.150 8.122) 23.565 1.381 ( -22.576 -6.326 12.597) 26.615 2.437 ( -23.202 -10.642 4.398) 25.902 2.672 ( -3.000 0.648 -4.410) 5.372 2.795 ( -4.764 -7.084 2.203) 8.816 2.828 ( 5.730 1.696 -0.580) 6.004 2.990 ( 5.196 -1.970 0.161) 5.559 3.160 ( 0.222 6.344 2.254) 6.736 3.332 ( 7.364 2.832 6.105) 9.975 3.407 ( -5.781 5.101 -4.817) 9.091 3.533 ( 1.653 -2.278 -10.462) 10.834 3.676 ( 5.419 2.681 -0.555) 6.071 3.837 ( 4.075 -0.331 2.605) 4.848 4.074 ( 4.640 -0.917 -3.341) 5.791 4.362 ( -1.421 -0.807 0.226) 1.650 4.739 ( 7.474 9.437 -0.590) 12.052 4.908 ( 7.065 -5.027 -5.012) 10.016 5.265 ( -0.803 2.192 2.371) 3.327 5.384 ( -0.677 -1.186 -2.465) 2.818 5.561 ( -3.581 1.006 -1.947) 4.199 5.819 ( -1.585 -1.579 7.739) 8.056 6.114 ( 10.889 -0.544 -5.823) 12.360 6.291 ( 4.964 5.121 2.859) 7.684 6.480 ( 0.925 2.671 -5.495) 6.180 7.074 ( -3.088 1.839 -1.116) 3.763 7.373 ( -5.040 -5.295 -2.988) 7.897 7.646 ( -8.219 -1.760 1.404) 8.522 7.954 ( 4.169 4.572 1.426) 6.350 8.097 ( 6.701 -3.623 -4.693) 8.947 8.290 ( 1.902 1.557 -3.125) 3.976 8.390 ( 6.576 1.626 0.223) 6.777 8.567 ( 0.770 -2.061 -1.738) 2.804 8.687 ( 5.222 0.066 6.674) 8.474 9.067 ( -3.080 -0.477 -2.270) 3.856 9.136 ( -5.594 -4.038 2.943) 7.501 9.334 ( -5.711 1.813 -2.156) 6.368 9.467 ( 5.608 7.422 0.510) 9.316 9.531 ( 1.278 -2.253 -1.213) 2.861 9.889 ( -2.131 -0.946 -2.634) 3.518 10.062 ( 5.071 1.420 13.373) 14.372 10.225 ( -0.041 0.810 -0.394) 0.901 10.257 ( -6.420 -0.988 -0.826) 6.548 10.453 ( 9.100 2.208 -3.681) 10.062 11.369 ( -14.895 -8.693 -6.984) 18.607 11.755 ( 16.692 5.628 -3.583) 17.976 12.158 ( -0.033 2.299 8.614) 8.915 12.533 ( 9.006 -2.671 -10.292) 13.934 12.819 ( -0.833 -10.498 11.081) 15.287 13.103 ( -2.889 22.332 6.132) 23.338 13.925 ( 2.740 1.053 -8.244) 8.751 14.829 ( 8.220 2.894 -7.483) 11.486 15.379 ( -9.697 -1.156 6.390) 11.671 15.770 ( -9.608 -8.247 -3.789) 13.216 16.119 ( 0.370 2.491 -0.884) 2.669 16.548 ( -2.479 -13.072 14.036) 19.340 18.121 ( 1.260 6.120 -7.559) 9.807 20.551 ( 0.695 0.368 -0.094) 0.792 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -17.547 1.027 17.166) 24.568 1.315 ( -19.710 -3.313 20.612) 28.711 2.155 ( -26.454 -11.801 18.492) 34.367 2.535 ( -4.510 -0.555 -4.295) 6.253 2.789 ( 2.529 -5.302 -1.349) 6.027 2.851 ( 7.442 -1.490 -8.337) 11.274 3.060 ( 6.389 -3.155 3.207) 7.814 3.173 ( -0.892 6.516 -7.345) 9.859 3.334 ( -4.426 5.650 -3.546) 8.006 3.392 ( 3.392 -5.856 -8.955) 11.225 3.512 ( 5.943 8.235 1.129) 10.218 3.758 ( 2.870 3.920 4.760) 6.802 3.978 ( 9.230 0.930 1.762) 9.442 4.083 ( -1.061 -0.081 2.354) 2.583 4.332 ( -0.102 -3.740 -0.805) 3.827 4.810 ( 2.617 -0.717 -8.531) 8.953 4.895 ( 7.355 4.158 -6.149) 10.449 5.251 ( -5.217 3.480 -3.707) 7.284 5.352 ( 2.718 -7.384 2.659) 8.305 5.547 ( -2.263 5.074 2.690) 6.173 5.853 ( -6.311 -3.702 7.825) 10.713 6.156 ( 10.340 -0.695 -6.186) 12.070 6.428 ( 2.115 1.821 -4.335) 5.156 6.488 ( 9.061 7.823 2.687) 12.269 7.022 ( -4.498 3.979 -4.787) 7.680 7.201 ( -4.352 -7.001 -3.629) 9.006 7.658 ( -0.157 0.271 9.230) 9.235 8.045 ( 3.345 2.475 0.174) 4.165 8.084 ( 4.235 -0.944 -4.356) 6.148 8.291 ( 4.779 1.111 -4.064) 6.371 8.443 ( 0.574 -1.421 0.517) 1.617 8.599 ( 7.892 -0.476 -1.035) 7.974 8.809 ( 2.057 2.549 1.385) 3.556 8.998 ( -3.910 1.875 0.343) 4.350 9.077 ( 2.450 -11.657 0.597) 11.927 9.260 ( -6.803 4.107 0.895) 7.996 9.435 ( -5.904 2.008 -0.019) 6.236 9.710 ( 0.863 7.714 -1.755) 7.958 9.834 ( 7.358 -2.409 3.912) 8.674 10.151 ( -3.007 -4.499 -0.509) 5.435 10.238 ( -2.769 4.401 3.635) 6.345 10.316 ( 5.671 -0.859 11.050) 12.450 10.522 ( 6.597 0.932 -2.544) 7.132 11.043 ( -16.075 -8.421 -5.006) 18.825 11.937 ( 11.190 5.815 -3.112) 12.989 12.096 ( -10.638 -0.004 -4.770) 11.659 12.449 ( 10.690 -12.036 -12.889) 20.622 13.006 ( 7.799 1.778 14.854) 16.871 13.387 ( -2.194 21.010 13.707) 25.181 13.871 ( 3.672 4.705 -7.017) 9.212 14.823 ( 6.848 1.838 -9.965) 12.230 15.334 ( -9.676 0.785 5.585) 11.200 15.514 ( -12.136 -12.806 -5.587) 18.506 16.163 ( 2.518 2.071 3.358) 4.680 16.611 ( -0.143 -16.181 14.713) 21.870 17.962 ( -8.088 6.910 -18.649) 21.470 20.561 ( 0.519 0.305 0.080) 0.607 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -3.065 1.079 19.513) 19.782 2.120 ( -3.007 10.337 15.543) 18.907 2.294 ( 13.274 -5.695 -7.560) 16.302 2.400 ( -1.474 -13.066 -6.836) 14.820 2.514 ( -2.966 -7.893 1.880) 8.639 2.638 ( 12.837 0.731 -2.757) 13.150 2.927 ( -3.826 9.579 -1.748) 10.462 3.188 ( -6.344 7.498 -0.510) 9.835 3.485 ( -1.336 -2.219 5.525) 6.102 3.536 ( -3.957 -5.209 2.647) 7.056 3.663 ( 0.679 4.833 5.946) 7.692 3.893 ( 3.165 -6.291 -4.383) 8.294 3.942 ( 6.275 -4.039 -5.091) 9.034 4.100 ( 1.717 -3.818 -1.422) 4.421 4.329 ( 0.529 4.747 0.196) 4.781 4.475 ( 7.422 -3.373 4.685) 9.403 4.756 ( -14.007 -4.120 -5.302) 15.534 4.894 ( 0.228 12.529 1.419) 12.611 5.556 ( 0.330 -1.277 -4.091) 4.298 5.689 ( -1.989 1.985 -4.018) 4.903 5.825 ( -0.369 2.087 2.258) 3.096 6.000 ( 5.551 -4.897 -4.042) 8.434 6.311 ( -10.200 -3.686 -1.829) 10.999 6.386 ( 4.293 6.287 -3.606) 8.424 7.209 ( 3.602 -8.878 7.605) 12.232 7.358 ( 2.704 -1.668 10.359) 10.835 7.842 ( 2.554 -2.837 -2.607) 4.623 7.974 ( -4.083 -3.299 -4.508) 6.919 8.175 ( -0.119 3.350 -2.474) 4.166 8.199 ( 1.363 -0.717 0.213) 1.554 8.296 ( -1.992 2.823 -1.134) 3.636 8.395 ( 1.099 1.570 -7.627) 7.864 8.710 ( 1.349 -3.893 1.139) 4.275 8.963 ( -6.547 2.217 0.532) 6.932 9.171 ( 3.733 -0.592 -1.786) 4.180 9.208 ( -0.960 9.174 0.912) 9.270 9.448 ( -1.094 -2.703 0.339) 2.935 9.651 ( -3.282 2.488 3.852) 5.639 9.937 ( 5.486 -5.047 -3.437) 8.209 10.084 ( 0.047 -5.261 -6.695) 8.515 10.339 ( -0.933 -1.469 -6.343) 6.578 10.511 ( -3.574 -5.416 -5.837) 8.728 10.633 ( 12.136 2.299 -1.970) 12.508 11.055 ( -7.971 5.523 7.673) 12.366 11.738 ( -4.010 5.539 7.432) 10.099 11.973 ( 2.895 -9.858 2.476) 10.569 12.419 ( 12.633 4.902 -3.715) 14.050 12.559 ( -12.589 3.179 -8.694) 15.626 13.625 ( -0.891 1.302 -12.490) 12.589 13.957 ( -9.321 3.428 -10.721) 14.615 14.512 ( 2.035 2.138 7.931) 8.463 15.394 ( 1.276 2.913 13.502) 13.871 15.520 ( -2.670 2.189 9.030) 9.667 16.418 ( 5.514 -10.467 -11.860) 16.752 16.875 ( 9.381 -7.899 2.835) 12.588 17.661 ( -8.811 12.139 12.777) 19.704 20.550 ( -0.150 -0.042 -0.865) 0.879 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -5.534 -17.077 0.506) 17.959 2.164 ( -3.056 1.609 5.536) 6.525 2.297 ( -3.377 -7.456 1.949) 8.414 2.363 ( 2.966 10.662 11.035) 15.628 2.497 ( 8.106 -2.867 3.257) 9.194 2.814 ( 11.087 -1.389 2.285) 11.405 2.908 ( -6.716 8.096 -0.857) 10.553 3.194 ( -5.638 6.983 5.345) 10.446 3.369 ( -3.243 -11.520 -7.243) 13.989 3.527 ( 2.633 -1.355 -0.217) 2.970 3.723 ( -0.506 5.491 -2.319) 5.982 3.832 ( -1.779 -3.076 -1.306) 3.786 3.908 ( 5.258 -3.553 -9.824) 11.696 4.156 ( 4.280 0.483 5.879) 7.288 4.408 ( 2.340 3.389 4.752) 6.288 4.449 ( -14.001 -6.700 -6.006) 16.644 4.612 ( 6.273 0.225 1.264) 6.403 5.049 ( 3.098 11.703 4.840) 13.038 5.467 ( -1.604 -0.153 -5.586) 5.814 5.654 ( 0.777 4.574 -5.380) 7.104 5.798 ( -5.241 -5.427 2.004) 7.806 5.978 ( 3.302 -4.538 -4.314) 7.078 6.209 ( -4.352 0.825 2.361) 5.019 6.429 ( 3.776 4.865 -3.707) 7.188 7.232 ( 2.002 -11.139 2.144) 11.519 7.474 ( -1.061 -2.374 7.429) 7.871 7.843 ( 0.805 -1.489 1.560) 2.302 7.858 ( -1.031 0.264 -5.005) 5.117 8.167 ( 0.550 5.066 -7.119) 8.755 8.199 ( 2.742 -2.958 -2.249) 4.618 8.277 ( -4.608 1.664 3.946) 6.291 8.336 ( 1.433 0.180 -2.561) 2.940 8.753 ( 3.341 1.730 2.130) 4.323 8.908 ( -2.536 -4.011 -0.025) 4.745 9.204 ( -1.521 6.844 -0.257) 7.015 9.301 ( -0.521 11.439 2.439) 11.708 9.444 ( 4.910 -7.010 3.853) 9.386 9.660 ( -3.702 0.378 2.274) 4.362 9.909 ( 4.453 -5.089 -5.489) 8.709 9.957 ( -3.067 -3.574 -5.046) 6.902 10.206 ( 1.588 -5.465 -11.159) 12.527 10.342 ( -5.020 1.115 -6.623) 8.385 10.696 ( 1.901 -1.259 -2.648) 3.495 11.097 ( -0.430 5.582 2.361) 6.076 11.916 ( 7.839 2.509 7.874) 11.391 11.992 ( -3.487 -1.051 8.551) 9.294 12.344 ( -10.317 -0.941 -3.518) 10.941 12.515 ( 8.916 2.204 -6.715) 11.377 13.439 ( -4.301 0.350 -10.169) 11.047 13.840 ( 0.797 10.542 -9.448) 14.179 14.626 ( 0.168 -3.257 8.103) 8.734 15.510 ( -6.680 -0.756 11.714) 13.506 15.722 ( 7.404 6.523 9.213) 13.500 16.259 ( 3.526 -1.896 -13.789) 14.358 16.875 ( -1.745 -17.764 4.435) 18.393 17.823 ( -1.543 11.193 8.670) 14.242 20.537 ( 0.011 0.051 -0.895) 0.896 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -13.094 -12.826 0.028) 18.330 2.054 ( -15.068 -7.473 3.117) 17.105 2.402 ( 7.073 -1.508 7.295) 10.272 2.592 ( 5.229 4.997 7.296) 10.273 2.666 ( 10.800 -0.961 2.665) 11.165 2.877 ( -5.963 3.476 1.423) 7.047 2.932 ( 1.632 1.924 4.493) 5.153 3.130 ( -3.301 -9.062 -5.914) 11.313 3.289 ( 1.583 2.085 6.083) 6.622 3.552 ( 2.108 0.963 -1.358) 2.687 3.678 ( -5.241 1.936 -3.675) 6.688 3.757 ( 0.117 -3.576 -8.347) 9.081 3.832 ( 0.057 5.640 -3.651) 6.719 4.129 ( -10.976 -7.778 -7.878) 15.589 4.296 ( 3.028 2.629 2.404) 4.676 4.526 ( 2.790 3.183 4.395) 6.102 4.690 ( 6.207 -2.837 -0.122) 6.825 5.212 ( 0.803 8.879 3.917) 9.738 5.407 ( 1.717 0.085 -3.079) 3.527 5.631 ( 0.533 4.423 -4.398) 6.260 5.730 ( -1.699 -4.084 1.228) 4.591 5.919 ( 0.622 -2.254 -3.158) 3.930 6.239 ( -1.182 1.298 4.256) 4.604 6.448 ( 3.228 3.056 -4.475) 6.308 7.175 ( 0.766 -8.120 -2.192) 8.445 7.485 ( -1.844 -1.091 -0.062) 2.144 7.826 ( -0.248 1.350 -0.327) 1.411 7.884 ( 3.698 -1.679 1.390) 4.292 8.049 ( -4.410 0.630 -7.642) 8.845 8.197 ( 3.693 0.883 -3.608) 5.238 8.297 ( -2.854 0.148 3.928) 4.858 8.405 ( 4.075 1.276 6.002) 7.366 8.771 ( -4.250 -0.556 -2.795) 5.117 8.909 ( 6.417 -0.790 2.320) 6.869 9.202 ( -2.968 0.110 0.748) 3.062 9.384 ( -1.728 7.221 2.077) 7.710 9.571 ( 0.577 1.940 6.503) 6.811 9.648 ( 3.060 -0.914 1.993) 3.764 9.786 ( -5.631 -5.880 -4.945) 9.525 9.880 ( 2.829 -0.149 -4.674) 5.466 10.091 ( 6.035 -2.030 -8.243) 10.416 10.266 ( -0.136 3.538 -3.828) 5.215 10.620 ( -6.915 -0.491 -2.102) 7.244 11.190 ( 9.788 4.676 -2.818) 11.208 11.967 ( -3.787 -8.448 -0.244) 9.261 12.079 ( -7.240 4.111 6.689) 10.680 12.339 ( 5.544 4.483 9.692) 12.032 12.503 ( 6.116 -2.720 -7.781) 10.264 13.319 ( -5.261 3.027 -1.168) 6.181 13.832 ( 3.889 11.848 -9.893) 15.918 14.667 ( 1.694 -5.570 1.535) 6.021 15.557 ( -5.536 -1.013 8.395) 10.107 15.932 ( 4.064 4.181 4.553) 7.398 16.155 ( 0.710 2.772 -6.525) 7.125 16.735 ( -7.090 -19.873 4.954) 21.674 17.974 ( 2.545 7.173 3.566) 8.405 20.530 ( 0.332 0.287 -0.648) 0.783 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -17.568 -7.192 6.167) 19.960 1.879 ( -17.934 -5.723 9.133) 20.923 2.558 ( 8.073 -1.762 4.334) 9.330 2.638 ( -1.345 -11.724 -10.464) 15.771 2.733 ( 5.513 -1.897 3.433) 6.766 2.815 ( -0.586 -1.973 -3.063) 3.691 3.022 ( -0.891 5.759 5.925) 8.311 3.136 ( 6.599 1.411 3.407) 7.559 3.443 ( 4.095 2.264 9.160) 10.286 3.522 ( -0.342 0.683 -6.379) 6.424 3.528 ( -14.203 -3.491 -0.062) 14.626 3.617 ( -5.896 3.831 -7.290) 10.129 3.835 ( -6.036 5.620 -3.113) 8.815 3.932 ( 4.301 -2.173 -2.080) 5.249 4.336 ( 3.044 -1.060 -3.509) 4.765 4.626 ( 3.409 4.792 1.317) 6.027 4.723 ( 6.734 -4.928 -2.374) 8.676 5.267 ( 0.145 -0.941 1.278) 1.593 5.415 ( -0.882 5.291 -2.130) 5.771 5.613 ( -0.271 0.752 -1.052) 1.321 5.772 ( 3.239 3.761 3.442) 6.040 5.911 ( 4.780 -0.754 -1.187) 4.982 6.275 ( -1.837 1.184 2.735) 3.501 6.437 ( 2.508 1.567 -5.220) 6.000 7.106 ( 0.698 -3.183 -3.292) 4.632 7.428 ( -0.491 -0.615 -6.253) 6.303 7.812 ( -3.326 2.802 -2.388) 4.962 7.921 ( 4.275 -3.924 -2.911) 6.492 7.958 ( -2.307 0.368 4.262) 4.861 8.213 ( 4.967 1.347 -4.556) 6.873 8.308 ( -1.687 -0.468 4.148) 4.502 8.555 ( 4.476 1.804 6.603) 8.179 8.651 ( -4.950 -3.575 -3.571) 7.074 9.019 ( 4.328 -0.742 1.779) 4.738 9.190 ( 3.523 -1.881 1.148) 4.156 9.397 ( -6.786 5.628 0.927) 8.865 9.543 ( -7.548 1.957 -0.666) 7.826 9.613 ( -4.681 -3.344 -1.135) 5.864 9.844 ( 5.686 -0.122 -0.748) 5.736 9.907 ( 7.783 2.352 7.274) 10.910 10.103 ( 8.356 -0.393 -3.518) 9.075 10.278 ( 1.983 6.300 -1.842) 6.857 10.498 ( -9.429 0.430 -0.754) 9.469 11.305 ( 14.329 5.601 -8.859) 17.753 11.767 ( -12.643 -10.345 0.177) 16.337 12.160 ( -1.050 4.702 8.038) 9.371 12.368 ( 4.877 -6.011 -11.273) 13.675 12.680 ( 9.984 1.530 15.158) 18.215 13.303 ( -9.649 11.819 3.572) 15.670 13.835 ( 3.718 5.334 -6.429) 9.144 14.641 ( 6.645 -1.147 -9.066) 11.299 15.574 ( -5.848 -0.927 6.024) 8.447 15.954 ( -4.886 -2.747 -0.473) 5.625 16.126 ( -0.638 -1.234 -0.809) 1.607 16.628 ( -4.394 -14.020 9.576) 17.538 18.058 ( 3.461 4.745 -3.239) 6.707 20.533 ( 0.628 0.541 -0.243) 0.864 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -18.148 0.367 11.923) 21.718 1.789 ( -18.632 -2.811 16.088) 24.777 2.368 ( -2.017 -12.544 -12.156) 17.584 2.670 ( 6.425 -1.561 -0.368) 6.622 2.707 ( 3.104 -10.708 -7.055) 13.193 2.813 ( 2.032 -2.012 2.958) 4.114 3.091 ( -3.669 1.174 3.695) 5.338 3.271 ( 6.495 5.123 -0.903) 8.321 3.310 ( -19.673 -2.471 4.217) 20.271 3.420 ( 0.491 1.408 -7.039) 7.195 3.486 ( -6.629 6.367 -4.547) 10.255 3.644 ( 5.564 2.630 6.790) 9.164 3.816 ( 2.097 2.112 2.295) 3.758 4.040 ( 4.194 4.958 4.394) 7.841 4.278 ( 4.108 -4.607 -8.583) 10.572 4.705 ( 4.828 5.953 -4.248) 8.763 4.723 ( 6.076 -5.564 -2.779) 8.695 5.279 ( 2.709 -5.354 2.088) 6.353 5.381 ( -4.156 4.535 -3.267) 6.965 5.612 ( -2.811 3.645 1.196) 4.756 5.890 ( 3.269 2.547 3.382) 5.349 5.990 ( 5.553 0.576 2.553) 6.138 6.299 ( 1.637 2.698 0.780) 3.250 6.405 ( 2.136 1.495 -5.472) 6.061 7.066 ( 0.698 0.396 -3.090) 3.193 7.288 ( -2.110 -3.317 -10.993) 11.675 7.753 ( -5.998 1.548 0.899) 6.260 7.939 ( 6.416 -0.249 -1.580) 6.613 8.017 ( -0.811 1.654 5.239) 5.554 8.206 ( 3.268 -0.744 -2.882) 4.421 8.391 ( 3.304 0.462 5.882) 6.762 8.522 ( -2.900 -3.594 -3.986) 6.101 8.697 ( 5.371 1.517 3.629) 6.657 9.002 ( -0.890 -5.625 -1.122) 5.804 9.271 ( -7.188 1.213 1.171) 7.383 9.366 ( 3.100 2.353 1.160) 4.062 9.476 ( -0.750 3.225 0.181) 3.316 9.568 ( -4.450 3.074 1.928) 5.742 9.830 ( 1.115 -1.569 -3.581) 4.065 10.139 ( 9.337 -4.910 -0.692) 10.572 10.177 ( 4.780 3.084 8.336) 10.091 10.338 ( 1.257 8.102 0.279) 8.204 10.407 ( -6.758 1.692 2.342) 7.349 11.308 ( 1.159 0.349 -12.213) 12.273 11.645 ( 0.711 -2.211 2.956) 3.760 12.231 ( 6.183 -8.977 -11.761) 16.035 12.280 ( -1.038 1.956 6.269) 6.649 12.955 ( 2.429 -6.857 16.490) 18.023 13.368 ( -2.105 27.047 -0.041) 27.129 13.838 ( 0.622 -0.326 0.135) 0.715 14.607 ( 10.275 5.204 -13.929) 18.074 15.539 ( -7.728 -3.340 2.930) 8.915 15.801 ( -10.012 -10.042 0.561) 14.191 16.124 ( 0.995 -2.321 2.543) 3.584 16.643 ( -3.155 -10.788 11.411) 16.017 18.026 ( 1.468 3.829 -11.671) 12.370 20.545 ( 0.710 0.633 0.071) 0.954 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -15.059 7.042 17.090) 23.842 1.768 ( -18.045 -2.615 16.515) 24.601 2.167 ( 4.132 -8.200 -8.038) 12.203 2.538 ( 4.828 -8.812 -12.899) 16.351 2.714 ( 3.815 -5.162 -0.639) 6.451 2.841 ( -2.453 -3.028 5.433) 6.686 3.054 ( -6.760 -4.587 3.619) 8.936 3.157 ( -9.413 -1.423 0.810) 9.554 3.265 ( -1.926 7.997 -5.848) 10.093 3.435 ( -5.928 5.684 1.928) 8.436 3.473 ( 7.800 6.253 -1.489) 10.107 3.793 ( 4.786 1.381 5.125) 7.147 3.941 ( 5.824 5.001 3.559) 8.461 4.152 ( -0.545 1.667 3.113) 3.574 4.182 ( 7.149 -9.207 -6.775) 13.482 4.638 ( 1.629 -7.134 -7.565) 10.525 4.788 ( 6.288 9.256 -5.711) 12.563 5.297 ( -1.889 -3.603 -0.831) 4.153 5.329 ( -0.675 1.062 2.646) 2.930 5.629 ( -1.587 4.440 1.455) 4.934 5.954 ( 1.652 -0.343 0.508) 1.762 6.049 ( -2.120 -0.682 3.013) 3.747 6.340 ( 3.088 0.155 -4.993) 5.873 6.462 ( 9.866 7.959 2.489) 12.918 7.025 ( -4.448 1.832 -5.793) 7.530 7.110 ( 1.369 -6.136 -5.058) 8.069 7.738 ( -0.272 1.561 2.242) 2.745 8.007 ( 2.912 2.580 0.867) 3.986 8.087 ( 0.173 2.920 3.498) 4.560 8.221 ( 2.281 0.287 -0.603) 2.377 8.431 ( 0.094 -4.887 0.100) 4.889 8.513 ( 4.816 0.703 0.748) 4.925 8.764 ( 2.608 -4.227 -2.236) 5.447 8.972 ( 1.848 -0.025 1.695) 2.508 9.141 ( -9.517 2.653 -0.945) 9.925 9.360 ( -5.967 -0.713 0.718) 6.053 9.532 ( -2.955 3.067 1.384) 4.478 9.674 ( 8.136 7.218 -1.521) 10.983 9.783 ( 3.019 -3.967 1.406) 5.180 10.113 ( 0.178 -4.117 -2.511) 4.825 10.291 ( 0.544 1.979 1.047) 2.304 10.424 ( 2.328 3.340 -0.423) 4.094 10.488 ( 1.605 2.093 12.852) 13.120 11.105 ( -10.308 -3.124 -5.519) 12.103 11.774 ( 13.657 7.115 -1.903) 15.516 12.108 ( 7.786 -12.059 -9.187) 17.042 12.240 ( -14.177 -3.750 2.351) 14.852 13.076 ( 1.177 -3.014 6.226) 7.017 13.620 ( 13.237 26.407 -4.751) 29.918 13.853 ( -7.386 2.171 8.829) 11.714 14.618 ( 10.405 7.050 -10.880) 16.623 15.400 ( -7.695 -11.198 -2.549) 13.824 15.642 ( -14.233 -5.336 6.094) 16.376 16.181 ( 4.151 -1.492 4.390) 6.223 16.669 ( -1.798 -12.229 10.281) 16.077 17.858 ( -3.669 3.466 -15.483) 16.285 20.558 ( 0.521 0.490 0.080) 0.719 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 19.518 -7.061 -6.287) 21.687 2.004 ( 18.601 -12.186 -5.378) 22.878 2.220 ( -4.550 -0.307 15.375) 16.037 2.515 ( 0.343 5.836 10.616) 12.119 2.553 ( -8.965 0.648 1.692) 9.146 2.645 ( -7.895 -0.294 6.323) 10.119 3.031 ( -2.180 8.147 0.707) 8.463 3.236 ( 1.103 3.442 -3.014) 4.706 3.481 ( 0.717 -1.479 -1.043) 1.947 3.514 ( 1.980 -7.341 -6.207) 9.816 3.613 ( 5.694 -3.682 -1.189) 6.884 3.780 ( 3.631 1.628 -8.092) 9.017 3.814 ( 0.952 -2.815 -1.493) 3.325 4.119 ( -1.010 -3.934 7.205) 8.271 4.357 ( 1.879 6.723 -0.882) 7.036 4.444 ( 1.932 -2.427 5.320) 6.158 4.823 ( -13.733 -5.096 -5.548) 15.664 5.030 ( -1.205 9.339 5.040) 10.680 5.525 ( -0.338 -0.214 0.090) 0.410 5.645 ( -1.227 4.294 -8.641) 9.726 5.815 ( 6.353 0.121 1.753) 6.591 5.976 ( -6.840 -2.627 1.371) 7.454 6.303 ( 1.812 4.898 -5.357) 7.482 6.396 ( -5.226 -1.899 -0.539) 5.586 7.149 ( 3.507 -7.627 -0.099) 8.395 7.443 ( 3.803 -1.318 10.329) 11.086 7.802 ( 1.102 1.612 -0.399) 1.993 7.931 ( -0.540 -3.199 -3.469) 4.749 8.153 ( -0.313 -5.950 -2.342) 6.402 8.164 ( -0.982 3.085 -1.714) 3.663 8.302 ( -0.803 -0.137 -4.379) 4.455 8.398 ( -4.574 5.807 4.134) 8.469 8.722 ( -0.103 -1.094 2.588) 2.812 9.048 ( 5.406 1.901 0.864) 5.795 9.102 ( -6.900 -2.111 -2.339) 7.585 9.312 ( -1.085 5.697 4.184) 7.151 9.458 ( -2.676 2.535 -1.139) 3.858 9.756 ( 0.130 3.065 0.675) 3.141 9.791 ( 3.065 -5.935 -4.922) 8.297 9.963 ( 0.587 -1.092 -1.801) 2.186 10.214 ( -1.644 -6.051 -10.353) 12.104 10.451 ( -2.668 -0.051 -5.905) 6.480 10.506 ( 8.870 1.461 -0.200) 8.991 11.303 ( -11.761 5.723 6.285) 14.511 11.733 ( 6.034 -8.335 0.108) 10.290 12.124 ( -7.581 2.347 14.892) 16.875 12.247 ( 12.761 5.191 -3.433) 14.198 12.590 ( -10.004 -1.152 -9.583) 13.901 13.478 ( 1.617 5.973 -14.942) 16.172 13.962 ( -9.114 2.235 -9.611) 13.432 14.640 ( -1.735 1.988 9.994) 10.336 15.500 ( 9.994 5.183 9.324) 14.618 15.722 ( -9.936 -3.477 9.741) 14.342 16.139 ( 5.970 -6.709 -10.260) 13.635 16.738 ( 11.147 -9.261 5.371) 15.456 17.946 ( -6.740 8.617 5.460) 12.227 20.543 ( -0.426 0.103 -0.753) 0.871 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 5.923 -13.661 -1.910) 15.012 2.114 ( 18.436 -9.094 1.319) 20.599 2.341 ( -8.322 -0.121 6.824) 10.763 2.489 ( -1.795 2.507 5.647) 6.434 2.592 ( -4.512 -1.386 7.724) 9.052 2.784 ( 6.133 5.420 6.291) 10.323 3.035 ( -4.538 2.857 -0.017) 5.362 3.232 ( 1.751 0.718 -4.553) 4.931 3.298 ( -7.082 -7.453 -6.024) 11.916 3.476 ( 2.286 0.326 -1.111) 2.563 3.720 ( 6.675 -3.411 -2.766) 7.990 3.738 ( -0.195 8.784 -0.986) 8.841 3.810 ( 2.828 -0.081 -2.054) 3.496 4.127 ( 0.885 -4.230 -0.696) 4.377 4.421 ( 0.393 -0.561 1.901) 2.021 4.485 ( 0.201 -1.104 -1.530) 1.897 4.614 ( -5.815 1.877 -1.569) 6.309 5.165 ( 1.785 6.963 6.748) 9.859 5.455 ( -5.395 1.163 -3.718) 6.655 5.606 ( 1.527 5.423 -5.096) 7.597 5.855 ( -8.097 -7.119 0.426) 10.789 5.895 ( 3.197 -1.316 1.122) 3.635 6.276 ( -1.329 4.648 -1.076) 4.952 6.376 ( 1.624 1.479 -2.369) 3.231 7.105 ( 3.543 -7.402 -4.282) 9.256 7.513 ( -0.163 -2.353 -0.444) 2.400 7.790 ( 0.156 1.146 -3.611) 3.792 7.929 ( -1.902 1.878 3.763) 4.616 8.090 ( -0.280 -7.025 -0.337) 7.038 8.156 ( -0.844 5.505 -2.955) 6.304 8.288 ( 4.221 0.048 0.682) 4.276 8.423 ( -5.973 1.170 6.360) 8.803 8.757 ( 2.202 0.658 2.078) 3.098 8.962 ( -8.938 -3.064 -0.313) 9.454 9.192 ( 10.533 2.047 1.661) 10.858 9.397 ( -5.586 0.771 -1.876) 5.943 9.447 ( 3.331 8.380 5.993) 10.827 9.704 ( 0.777 -5.135 -4.922) 7.155 9.774 ( 1.550 1.433 -1.732) 2.730 9.933 ( -4.420 -3.808 0.521) 5.857 10.037 ( -0.664 -1.047 -8.224) 8.317 10.332 ( -4.484 1.677 -5.380) 7.201 10.603 ( 7.017 0.727 -1.561) 7.225 11.203 ( -10.090 4.352 -3.320) 11.479 11.862 ( 9.570 -4.604 8.242) 13.443 12.248 ( -5.525 4.522 11.800) 13.791 12.335 ( 5.497 -5.888 -2.887) 8.557 12.371 ( -4.834 3.478 -7.707) 9.739 13.375 ( 0.624 3.732 -6.398) 7.433 13.828 ( -3.392 10.343 -7.449) 13.190 14.690 ( -3.337 -4.368 2.630) 6.093 15.675 ( -1.274 -4.681 2.574) 5.492 15.788 ( 4.501 7.319 10.357) 13.457 16.095 ( 3.967 0.076 -2.509) 4.694 16.799 ( 2.333 -17.268 5.771) 18.356 17.971 ( -2.422 7.291 -0.695) 7.714 20.530 ( -0.330 0.287 -0.620) 0.759 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -3.625 -8.412 3.993) 9.993 2.242 ( -12.531 -4.587 5.911) 14.595 2.301 ( 14.401 -7.358 4.408) 16.762 2.584 ( 3.632 -3.124 3.563) 5.970 2.620 ( -0.061 -3.389 -1.190) 3.592 2.902 ( -1.571 -2.002 -3.236) 4.117 2.994 ( 3.166 -0.709 3.510) 4.780 3.103 ( -5.955 3.954 -1.836) 7.380 3.267 ( 7.860 -3.283 -2.231) 8.805 3.492 ( 0.730 1.069 -1.143) 1.727 3.698 ( -1.626 1.525 -3.183) 3.886 3.793 ( -4.228 11.714 2.486) 12.699 3.816 ( -0.496 1.258 -0.824) 1.583 4.079 ( -0.029 -3.632 -3.219) 4.853 4.326 ( -5.723 -2.080 -3.054) 6.812 4.527 ( 3.862 0.776 0.890) 4.039 4.612 ( 3.061 0.280 -1.886) 3.606 5.298 ( -1.603 2.464 1.854) 3.475 5.385 ( 1.028 2.913 1.055) 3.264 5.599 ( 0.473 4.123 -3.704) 5.563 5.738 ( -2.144 -3.647 0.135) 4.233 5.913 ( -2.275 0.513 1.680) 2.874 6.307 ( -0.614 1.402 2.760) 3.156 6.369 ( 2.933 2.815 -5.232) 6.626 7.045 ( 3.552 -4.409 -4.860) 7.461 7.437 ( -0.275 0.142 -8.457) 8.463 7.770 ( 2.272 -0.196 -1.908) 2.973 7.930 ( -2.488 1.382 -1.430) 3.185 8.046 ( -3.414 -2.511 3.318) 5.382 8.147 ( -0.282 4.735 -2.567) 5.394 8.389 ( -0.754 -1.731 6.714) 6.974 8.452 ( 1.100 -1.668 6.447) 6.750 8.796 ( -4.165 1.771 -2.656) 5.248 8.868 ( 1.743 -3.788 2.910) 5.085 9.290 ( -8.058 1.356 0.197) 8.174 9.356 ( 11.554 -2.243 0.084) 11.770 9.602 ( 3.846 4.490 -2.426) 6.391 9.663 ( 0.997 0.275 3.288) 3.447 9.779 ( 1.684 1.722 -2.030) 3.151 9.810 ( -5.820 -3.513 -0.512) 6.817 10.012 ( -0.577 3.595 1.398) 3.901 10.266 ( -1.445 4.789 -2.171) 5.454 10.636 ( 0.387 1.645 -1.425) 2.211 11.098 ( 0.050 4.380 -7.528) 8.710 11.988 ( -2.802 -6.189 6.046) 9.095 12.201 ( -2.098 0.035 -2.728) 3.442 12.273 ( 3.236 -5.134 -7.104) 9.343 12.477 ( 3.687 4.853 12.031) 13.487 13.417 ( 1.015 4.391 6.394) 7.822 13.803 ( -1.226 14.279 -6.979) 15.941 14.567 ( -1.572 -7.430 -9.224) 11.948 15.658 ( -1.153 -3.630 2.742) 4.693 15.985 ( 1.778 6.016 5.358) 8.250 16.132 ( 0.843 -2.365 1.869) 3.130 16.736 ( -3.748 -16.603 7.724) 18.692 17.978 ( 2.734 4.047 -5.284) 7.195 20.525 ( -0.017 0.619 -0.287) 0.683 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -10.043 -2.936 7.039) 12.611 2.158 ( -12.031 -3.388 9.639) 15.784 2.424 ( 1.623 -13.393 -5.281) 14.487 2.490 ( 5.316 -4.427 -0.006) 6.918 2.639 ( 6.520 -8.371 1.701) 10.746 2.751 ( -4.610 -4.853 -7.835) 10.305 3.067 ( 3.048 1.651 -1.213) 3.672 3.162 ( 3.073 6.024 4.018) 7.865 3.331 ( 6.842 0.865 -2.044) 7.193 3.462 ( 1.555 -2.093 -4.515) 5.214 3.653 ( -5.237 6.492 -0.352) 8.348 3.770 ( -9.237 6.260 2.586) 11.454 3.904 ( 2.706 0.546 3.371) 4.357 4.019 ( -9.762 7.576 5.436) 13.500 4.190 ( 0.833 -6.184 -10.297) 12.040 4.568 ( 4.939 -1.221 -3.360) 6.097 4.633 ( 3.073 0.515 -0.482) 3.153 5.238 ( -1.118 -3.576 -2.017) 4.255 5.471 ( -2.366 3.746 1.664) 4.733 5.608 ( 3.846 2.819 0.569) 4.802 5.795 ( 6.287 4.778 2.905) 8.414 5.904 ( -4.009 1.144 2.136) 4.685 6.317 ( 0.325 -1.656 -0.448) 1.746 6.364 ( 0.539 3.981 -3.112) 5.081 7.012 ( 3.171 -1.703 -3.454) 4.988 7.309 ( -0.145 0.686 -11.781) 11.801 7.799 ( 4.700 -0.498 -0.235) 4.732 7.877 ( -3.568 1.805 -1.468) 4.260 8.064 ( -2.615 1.449 5.302) 6.087 8.150 ( 0.620 3.201 -1.819) 3.733 8.391 ( -3.682 -3.294 5.182) 7.160 8.561 ( 3.790 -3.490 2.300) 5.642 8.678 ( -7.140 -0.890 0.278) 7.201 8.974 ( 8.417 0.049 2.340) 8.736 9.195 ( -5.632 -2.669 0.677) 6.269 9.468 ( 3.433 0.205 0.563) 3.484 9.574 ( -0.295 4.140 -5.212) 6.663 9.636 ( -3.042 -3.841 -0.476) 4.923 9.779 ( 3.624 -1.188 -3.040) 4.877 9.884 ( 2.844 3.598 7.688) 8.952 10.095 ( 1.982 5.751 4.676) 7.673 10.306 ( 1.021 8.563 0.369) 8.631 10.611 ( -6.850 2.631 2.086) 7.628 11.074 ( 9.391 5.055 -11.109) 15.400 11.875 ( -12.268 -8.365 3.672) 15.296 12.113 ( 3.301 -7.598 -10.640) 13.485 12.274 ( 1.777 3.330 3.835) 5.381 12.754 ( 9.837 2.608 13.448) 16.865 13.553 ( -6.230 12.447 4.997) 14.789 13.804 ( 0.392 3.084 0.425) 3.137 14.387 ( 5.954 0.701 -16.475) 17.532 15.658 ( -1.455 -3.547 2.538) 4.598 16.002 ( -7.080 -8.001 -0.268) 10.687 16.105 ( 0.751 -3.843 1.561) 4.215 16.748 ( -4.456 -6.563 14.074) 16.156 17.941 ( 4.711 0.596 -10.809) 11.806 20.531 ( 0.339 0.884 0.051) 0.948 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -7.449 -1.406 1.784) 7.788 2.112 ( -8.945 -5.761 3.417) 11.175 2.231 ( -9.513 -5.836 4.924) 12.199 2.510 ( -2.227 -8.355 -9.909) 13.151 2.603 ( 4.884 -5.635 1.708) 7.650 2.689 ( 7.434 -6.967 1.836) 10.352 3.068 ( 1.382 -0.051 -4.086) 4.314 3.269 ( 2.635 9.148 -3.025) 9.989 3.333 ( 0.682 2.095 -5.247) 5.691 3.465 ( 5.145 0.852 0.260) 5.221 3.606 ( -8.072 1.532 2.042) 8.466 3.798 ( -6.097 5.138 8.547) 11.689 3.895 ( -7.224 -3.946 6.240) 10.329 4.014 ( 5.628 -4.108 -14.294) 15.902 4.154 ( -0.369 9.363 8.953) 12.960 4.548 ( 4.737 -4.492 -5.234) 8.367 4.672 ( 3.122 4.347 -2.376) 5.855 5.209 ( 3.400 -4.988 0.303) 6.045 5.446 ( -4.843 2.790 -0.224) 5.594 5.693 ( -0.204 4.925 2.140) 5.373 5.892 ( -0.112 -0.963 0.143) 0.980 5.987 ( 8.465 6.082 5.524) 11.797 6.310 ( 1.943 0.676 -1.157) 2.360 6.341 ( -2.187 2.876 -2.604) 4.454 7.009 ( 3.061 -1.366 -1.369) 3.621 7.150 ( -2.333 0.060 -11.035) 11.279 7.785 ( -1.379 -0.566 -2.588) 2.987 7.926 ( 2.739 4.793 4.316) 7.007 8.111 ( -1.183 1.776 2.868) 3.575 8.178 ( 0.371 2.751 2.810) 3.950 8.418 ( 1.393 0.028 0.781) 1.597 8.491 ( -3.131 -7.944 0.828) 8.579 8.690 ( 1.078 0.511 1.749) 2.118 9.014 ( -4.273 -0.469 0.037) 4.298 9.244 ( 12.128 -2.087 3.589) 12.819 9.388 ( -6.917 -2.443 -2.798) 7.851 9.561 ( -6.807 0.250 0.840) 6.863 9.622 ( 2.422 7.110 -1.363) 7.634 9.769 ( 2.914 -1.312 -3.755) 4.931 10.018 ( 4.336 0.023 3.606) 5.640 10.220 ( 3.586 3.197 3.344) 5.853 10.384 ( 0.337 8.769 0.097) 8.776 10.592 ( -7.717 2.948 6.981) 10.816 11.092 ( 10.386 5.082 -11.348) 16.201 11.735 ( -9.847 -5.910 4.503) 12.336 11.967 ( 3.870 -9.553 -8.973) 13.666 12.387 ( 0.691 3.838 6.182) 7.309 13.047 ( 7.988 -4.252 13.803) 16.505 13.464 ( -7.519 15.725 -14.909) 22.937 13.937 ( 2.749 1.543 11.893) 12.304 14.348 ( 9.991 10.980 -11.939) 19.051 15.583 ( -6.569 -7.853 -2.651) 10.575 15.849 ( -3.769 -13.849 4.485) 15.037 16.117 ( 0.818 -2.243 1.201) 2.672 16.823 ( -9.479 -4.194 14.476) 17.804 17.825 ( 5.075 -1.139 -15.605) 16.449 20.545 ( 0.508 0.885 0.180) 1.036 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 6.518 -4.252 -9.712) 12.445 2.004 ( -8.321 -2.999 4.619) 9.978 2.203 ( -8.078 -1.632 6.005) 10.197 2.282 ( -8.573 -6.949 -2.799) 11.385 2.653 ( 3.131 -6.750 3.874) 8.389 2.757 ( 4.715 -2.714 1.776) 5.723 3.015 ( -0.936 -1.305 -3.395) 3.756 3.229 ( -1.292 7.771 -8.195) 11.367 3.334 ( 8.803 3.402 -8.975) 13.023 3.555 ( -5.040 3.113 5.020) 7.764 3.597 ( -3.363 -1.814 12.188) 12.773 3.788 ( 7.228 -4.780 -10.086) 13.297 3.863 ( -4.351 -2.348 4.680) 6.808 4.003 ( 0.056 5.436 3.145) 6.281 4.283 ( -3.299 -0.797 8.425) 9.083 4.500 ( 2.585 -4.367 -4.266) 6.630 4.721 ( 4.960 11.430 -5.088) 13.459 5.250 ( 4.652 -5.428 3.213) 7.838 5.400 ( -4.518 2.532 -0.769) 5.236 5.705 ( -4.852 2.769 1.082) 5.690 5.891 ( 3.761 -0.597 -3.612) 5.248 6.137 ( 0.056 -0.315 3.885) 3.898 6.280 ( -3.377 2.416 -3.223) 5.256 6.427 ( 11.071 8.576 3.124) 14.348 6.960 ( -1.590 -4.861 -8.046) 9.534 7.060 ( 0.094 0.962 2.701) 2.868 7.765 ( -0.185 2.434 0.147) 2.446 8.037 ( 1.394 4.009 3.185) 5.307 8.138 ( -0.257 0.856 1.486) 1.734 8.246 ( -0.513 2.892 4.178) 5.107 8.368 ( 1.125 -3.121 -3.875) 5.101 8.510 ( 0.069 -2.028 3.866) 4.366 8.680 ( 0.091 -4.971 -2.713) 5.664 9.007 ( 0.701 3.490 3.103) 4.723 9.248 ( -8.245 1.066 -2.196) 8.599 9.401 ( 2.003 -3.449 0.335) 4.003 9.507 ( 3.545 -0.996 0.648) 3.739 9.672 ( -0.429 6.774 -0.775) 6.831 9.737 ( 0.901 -0.325 -3.017) 3.165 10.064 ( 0.510 -0.346 -0.212) 0.652 10.294 ( 2.418 -0.416 1.330) 2.791 10.433 ( -0.316 6.554 -0.421) 6.575 10.630 ( -1.455 -0.429 3.801) 4.092 11.098 ( 0.989 4.041 -2.789) 5.008 11.706 ( 2.322 0.488 2.064) 3.145 11.864 ( 4.713 -9.933 -4.301) 11.806 12.431 ( -11.000 -1.445 6.025) 12.625 13.101 ( -4.269 -6.697 0.372) 7.951 13.459 ( 14.863 19.233 -12.896) 27.516 14.124 ( -0.424 9.722 8.440) 12.882 14.439 ( 7.448 9.479 -3.205) 12.474 15.370 ( -7.475 -13.570 -3.130) 15.805 15.823 ( -5.298 -8.120 9.429) 13.525 16.131 ( 4.904 -4.083 0.019) 6.381 16.781 ( -11.860 -6.550 4.514) 14.281 17.710 ( 4.305 0.827 -8.805) 9.836 20.557 ( 0.377 0.637 0.019) 0.741 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 25.234 -9.735 -1.242) 27.075 1.610 ( 21.178 -11.561 -1.700) 24.188 2.435 ( -0.193 1.750 12.813) 12.933 2.669 ( -7.668 1.694 3.220) 8.487 2.694 ( -4.215 -1.194 6.930) 8.199 2.848 ( -8.514 0.858 3.680) 9.315 3.026 ( 3.080 5.046 -5.715) 8.222 3.112 ( 15.847 -7.018 -2.286) 17.482 3.310 ( 4.136 -1.655 -3.656) 5.762 3.433 ( -0.101 -0.115 -6.163) 6.165 3.589 ( -3.949 -3.220 -5.065) 7.184 3.723 ( 0.475 8.436 4.322) 9.491 3.774 ( -0.527 -3.212 -1.195) 3.467 4.196 ( -4.057 -3.930 4.477) 7.207 4.327 ( 5.353 6.447 -3.611) 9.125 4.536 ( -6.852 1.857 2.611) 7.564 4.873 ( -11.670 -4.811 -5.567) 13.795 5.151 ( -0.009 5.128 4.316) 6.703 5.546 ( 3.396 3.510 2.470) 5.473 5.575 ( -1.920 -0.150 -6.931) 7.193 5.791 ( 3.671 0.388 4.093) 5.512 6.062 ( -8.042 -3.601 0.716) 8.840 6.282 ( -1.260 10.404 -4.741) 11.503 6.416 ( -3.783 -3.411 -2.146) 5.527 7.044 ( 1.545 -5.082 -4.027) 6.666 7.478 ( 3.737 -2.711 2.765) 5.382 7.788 ( 5.041 1.785 -0.862) 5.417 7.874 ( 0.322 0.245 0.216) 0.459 8.124 ( -2.880 -5.323 2.702) 6.628 8.214 ( -3.347 4.737 -1.675) 6.037 8.308 ( -5.972 1.605 -1.316) 6.322 8.547 ( -2.886 2.978 5.167) 6.625 8.725 ( 1.910 -1.436 1.457) 2.799 9.016 ( 1.630 -1.251 2.789) 3.464 9.130 ( -3.025 0.761 -2.382) 3.924 9.376 ( 3.507 1.855 0.828) 4.053 9.498 ( 1.150 3.625 -5.952) 7.063 9.605 ( -2.823 -5.010 1.230) 5.881 9.792 ( 1.078 0.702 -2.753) 3.039 10.031 ( -3.059 4.857 3.784) 6.875 10.091 ( -2.873 -4.787 -4.644) 7.262 10.399 ( 5.443 -0.422 -1.104) 5.570 10.449 ( -2.190 2.375 -2.871) 4.322 11.537 ( -11.714 1.039 -10.439) 15.725 11.609 ( 6.765 -4.453 13.786) 15.989 12.124 ( 7.360 4.352 0.050) 8.551 12.446 ( -8.197 3.436 12.951) 15.707 12.554 ( -9.358 -4.402 -7.676) 12.879 13.288 ( 6.842 6.179 -13.196) 16.097 13.955 ( -5.976 0.817 -7.989) 10.010 14.804 ( -5.587 4.509 3.891) 8.166 15.471 ( 11.627 1.093 3.609) 12.224 15.844 ( -0.677 -9.539 1.771) 9.726 16.015 ( -0.029 2.582 2.741) 3.766 16.642 ( 9.686 -8.330 10.398) 16.472 18.070 ( -5.075 4.157 -4.424) 7.913 20.543 ( -0.653 0.288 -0.418) 0.827 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 17.522 -14.406 2.682) 22.842 1.854 ( 20.719 -6.325 6.494) 22.615 2.532 ( -10.788 -2.413 2.941) 11.439 2.604 ( -2.040 4.021 7.648) 8.878 2.716 ( -8.692 -4.891 -1.222) 10.048 2.836 ( 1.059 2.974 5.287) 6.157 2.987 ( 3.198 -0.712 -5.669) 6.548 3.110 ( 2.637 -5.723 -7.608) 9.879 3.248 ( -3.334 -2.483 -7.287) 8.390 3.457 ( 10.598 4.412 2.106) 11.672 3.588 ( 6.525 -0.733 0.203) 6.570 3.757 ( 1.828 3.924 -2.109) 4.815 3.869 ( -2.482 8.883 9.856) 13.499 4.112 ( -6.009 -6.444 -1.320) 8.910 4.406 ( 6.119 3.711 -4.857) 8.649 4.462 ( -5.867 -0.343 -0.792) 5.930 4.671 ( -7.245 -1.411 -3.565) 8.197 5.254 ( 2.426 3.542 4.982) 6.577 5.466 ( -3.049 0.412 -5.450) 6.259 5.608 ( -1.424 4.977 0.896) 5.254 5.881 ( -2.768 -8.309 1.524) 8.889 5.918 ( -3.642 1.351 2.065) 4.400 6.287 ( 0.454 12.224 -5.417) 13.378 6.357 ( -1.268 -4.031 0.207) 4.231 6.976 ( 1.927 -3.063 -4.639) 5.883 7.429 ( 1.207 -2.951 -8.378) 8.964 7.765 ( -1.515 2.381 -3.910) 4.821 7.964 ( 0.335 -0.692 3.087) 3.181 8.140 ( -2.690 -1.658 6.445) 7.178 8.197 ( -0.416 5.199 -1.952) 5.569 8.270 ( 0.209 1.498 2.634) 3.038 8.568 ( -5.441 -2.341 5.416) 8.026 8.748 ( 2.979 -1.284 0.672) 3.313 9.032 ( -5.282 -0.683 -1.134) 5.445 9.112 ( 3.345 -1.570 2.489) 4.456 9.442 ( 6.404 3.121 -3.482) 7.930 9.477 ( -4.169 2.136 -0.772) 4.748 9.581 ( 3.380 -1.042 2.874) 4.557 9.756 ( 1.029 -0.263 -4.580) 4.701 9.968 ( -6.044 -3.313 1.016) 6.967 10.095 ( -5.090 6.759 4.688) 9.673 10.342 ( -4.177 1.973 -3.126) 5.578 10.515 ( 7.240 1.983 0.193) 7.509 11.266 ( -10.788 2.723 -11.541) 16.031 11.849 ( 10.374 -3.035 10.698) 15.208 12.160 ( 3.265 -7.190 -4.703) 9.191 12.349 ( -6.855 2.692 -4.115) 8.436 12.547 ( -7.542 4.958 10.503) 13.849 13.310 ( 6.803 1.128 0.726) 6.934 13.851 ( -2.518 9.760 -5.999) 11.730 14.703 ( -8.311 -2.445 -7.733) 11.613 15.593 ( 7.277 -5.082 0.063) 8.876 15.923 ( 3.353 5.453 8.018) 10.260 16.081 ( 2.106 0.150 3.224) 3.853 16.771 ( 1.379 -15.505 12.447) 19.931 17.948 ( -0.632 2.828 -11.305) 11.670 20.534 ( -0.634 0.555 -0.206) 0.868 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 10.115 -9.734 5.501) 15.077 2.137 ( 15.909 -5.605 9.002) 19.120 2.404 ( -7.946 -8.600 -0.151) 11.710 2.511 ( -4.305 -4.988 -7.464) 9.957 2.641 ( -6.382 -1.643 2.098) 6.916 2.857 ( -1.123 -6.205 -7.006) 9.425 2.971 ( 2.503 3.219 6.723) 7.863 3.127 ( 5.623 -1.729 -0.242) 5.888 3.153 ( 2.467 4.561 -2.785) 5.886 3.512 ( -3.862 1.966 -3.342) 5.473 3.732 ( 7.699 2.451 5.054) 9.530 3.786 ( -1.703 8.606 -0.714) 8.802 3.921 ( -6.547 -1.841 -3.110) 7.478 4.096 ( 3.468 8.359 6.822) 11.333 4.262 ( -3.466 -8.492 -9.395) 13.130 4.487 ( 1.861 2.423 -1.883) 3.589 4.590 ( -0.865 0.048 -0.566) 1.035 5.339 ( -4.049 -2.181 -0.505) 4.626 5.404 ( 4.324 3.637 0.951) 5.730 5.614 ( -3.492 3.336 -0.293) 4.838 5.739 ( -3.408 -2.059 -0.819) 4.065 6.006 ( -1.624 1.913 6.600) 7.061 6.296 ( 0.656 0.949 -4.212) 4.367 6.341 ( 0.798 4.859 -0.454) 4.945 6.943 ( 2.231 -0.879 -2.396) 3.390 7.301 ( 0.956 -0.042 -11.474) 11.513 7.733 ( 0.571 1.021 -1.527) 1.923 7.947 ( -3.100 -0.550 0.083) 3.149 8.132 ( -2.883 2.641 0.687) 3.970 8.190 ( -3.517 4.670 -0.513) 5.869 8.429 ( 7.685 -1.956 8.260) 11.451 8.522 ( -5.892 -6.040 3.430) 9.109 8.777 ( 2.198 1.548 -2.343) 3.566 8.935 ( -8.378 -3.422 2.618) 9.421 9.182 ( 10.175 -2.440 -0.492) 10.476 9.388 ( -7.124 0.461 -0.673) 7.170 9.530 ( 6.218 4.699 -2.283) 8.121 9.650 ( 0.912 -4.595 -0.695) 4.736 9.735 ( 2.472 1.103 0.893) 2.851 9.932 ( -4.759 3.927 4.218) 7.474 10.125 ( -4.678 4.786 3.768) 7.680 10.309 ( -1.531 5.536 -0.152) 5.746 10.629 ( 4.838 4.416 3.042) 7.222 11.041 ( -5.962 3.760 -11.802) 13.747 12.005 ( 4.176 -13.166 -2.751) 14.083 12.089 ( 5.761 1.623 1.371) 6.140 12.245 ( -8.926 0.714 -0.713) 8.983 12.652 ( -1.985 5.756 10.540) 12.172 13.474 ( 9.006 -1.716 8.849) 12.741 13.864 ( -2.027 15.415 -3.015) 15.837 14.419 ( -8.334 -3.506 -15.308) 17.779 15.623 ( 4.050 -7.378 1.519) 8.552 16.078 ( 1.432 4.980 0.959) 5.270 16.110 ( -0.514 -5.271 2.546) 5.876 16.823 ( -1.930 -12.228 15.262) 19.652 17.832 ( 3.900 0.759 -12.706) 13.313 20.532 ( -0.378 0.888 0.049) 0.966 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.060 -11.439 -6.059) 12.945 2.252 ( -2.726 -7.870 -1.054) 8.396 2.339 ( 7.157 -7.301 -2.855) 10.615 2.419 ( 6.477 -6.032 5.004) 10.167 2.534 ( -7.162 -2.869 4.304) 8.835 2.778 ( -7.056 0.074 2.906) 7.631 3.060 ( -1.799 1.913 1.593) 3.072 3.174 ( 5.925 2.434 2.014) 6.715 3.278 ( 7.651 3.283 1.958) 8.553 3.377 ( -3.871 -0.220 -8.859) 9.671 3.725 ( -7.404 -3.321 -10.937) 13.619 3.830 ( 6.138 3.637 -2.909) 7.705 3.912 ( 0.470 5.368 7.092) 8.907 4.047 ( -2.125 -4.713 -7.372) 9.004 4.269 ( -4.682 11.397 8.522) 14.981 4.466 ( 2.758 -3.834 -3.003) 5.596 4.621 ( 0.924 2.335 2.059) 3.247 5.221 ( -4.902 -4.071 -2.072) 6.701 5.533 ( 5.678 2.328 2.344) 6.569 5.568 ( -1.342 -0.141 -1.111) 1.748 5.791 ( 4.488 6.500 2.747) 8.363 6.043 ( -6.947 2.422 4.587) 8.670 6.260 ( 1.313 -0.905 -2.071) 2.614 6.383 ( 0.499 5.668 -1.208) 5.817 6.947 ( 1.741 -1.191 -0.316) 2.133 7.179 ( 0.027 2.197 -9.326) 9.581 7.753 ( 2.411 0.035 0.347) 2.436 7.918 ( -1.766 2.514 0.139) 3.075 8.135 ( -1.014 2.068 -0.055) 2.304 8.197 ( -1.149 4.406 1.854) 4.917 8.454 ( -3.093 -2.167 0.585) 3.822 8.528 ( -0.556 -5.192 2.038) 5.606 8.767 ( -2.489 -1.258 2.370) 3.660 8.912 ( 2.763 -1.895 3.483) 4.833 9.273 ( -6.261 -0.874 -0.785) 6.370 9.329 ( 12.460 -0.889 -0.925) 12.526 9.554 ( -2.834 0.419 -4.145) 5.039 9.588 ( 2.550 -3.845 -0.872) 4.696 9.766 ( -2.234 3.458 0.247) 4.124 10.017 ( -0.369 4.549 7.149) 8.482 10.168 ( -0.204 5.413 1.858) 5.727 10.363 ( 1.135 7.624 0.791) 7.748 10.773 ( -1.272 6.197 9.348) 11.287 10.869 ( 1.042 3.635 -14.270) 14.762 11.876 ( 2.180 -10.225 -6.910) 12.532 12.064 ( -13.571 -5.145 3.614) 14.957 12.279 ( 8.253 3.591 2.846) 9.440 12.841 ( 4.082 5.874 10.165) 12.430 13.683 ( 9.267 5.532 2.938) 11.185 13.816 ( -9.447 -5.467 -6.069) 12.489 14.220 ( 0.233 13.794 -5.836) 14.979 15.632 ( 2.753 -7.516 1.060) 8.074 15.939 ( -4.344 -19.223 -3.400) 19.998 16.143 ( -2.409 5.607 -0.029) 6.103 16.980 ( -0.875 -3.247 19.321) 19.611 17.698 ( 3.548 -3.404 -15.395) 16.161 20.538 ( -0.019 1.063 0.195) 1.081 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.401 -15.020 -14.859) 21.132 2.023 ( 0.906 -12.435 -16.843) 20.955 2.392 ( 1.133 -2.480 5.679) 6.299 2.551 ( -0.073 -3.411 11.599) 12.090 2.586 ( -6.551 2.321 11.438) 13.384 2.734 ( -6.521 -0.707 6.077) 8.942 3.044 ( -2.435 3.070 -1.302) 4.129 3.201 ( 0.888 -0.664 -10.863) 10.920 3.288 ( -0.785 2.524 -4.885) 5.554 3.379 ( 8.355 -10.316 -9.830) 16.519 3.468 ( 5.095 -1.432 -1.386) 5.471 3.854 ( -0.324 8.980 -8.140) 12.124 3.993 ( 3.129 1.140 6.240) 7.073 4.048 ( -4.435 -0.767 7.873) 9.069 4.385 ( -5.786 11.482 9.007) 15.698 4.430 ( 1.292 -2.722 -3.543) 4.652 4.669 ( -0.781 3.968 1.599) 4.349 5.156 ( 1.067 -4.422 0.904) 4.638 5.509 ( -4.154 0.755 -1.080) 4.358 5.665 ( 9.528 0.849 -1.006) 9.619 5.906 ( -1.998 -1.403 2.261) 3.327 6.050 ( 0.658 9.781 3.440) 10.389 6.263 ( 2.012 0.830 -0.615) 2.262 6.393 ( -2.645 5.041 -0.973) 5.776 6.940 ( 0.991 -3.203 -1.890) 3.849 7.113 ( -2.319 2.950 -1.121) 3.916 7.768 ( 0.568 1.702 -1.259) 2.192 7.982 ( 2.801 3.812 4.914) 6.821 8.133 ( 0.247 1.773 -1.200) 2.155 8.252 ( 1.276 0.528 2.599) 2.943 8.391 ( -4.516 1.901 -4.365) 6.562 8.516 ( 0.472 -3.905 5.607) 6.849 8.739 ( -5.829 -2.442 2.172) 6.683 9.027 ( 6.999 0.602 1.571) 7.198 9.167 ( -2.296 -3.461 0.227) 4.159 9.404 ( -3.536 -3.769 -0.970) 5.258 9.536 ( 12.924 3.226 -4.075) 13.930 9.583 ( 1.013 -2.274 -0.844) 2.628 9.749 ( -5.560 5.638 -0.217) 7.922 10.109 ( -3.123 3.800 4.655) 6.772 10.228 ( 2.617 3.040 0.517) 4.045 10.435 ( 1.079 6.632 -0.112) 6.720 10.704 ( -2.552 2.103 -10.113) 10.640 10.957 ( 4.339 4.517 7.038) 9.422 11.767 ( 1.320 -5.551 -4.137) 7.048 11.905 ( -12.095 -7.930 3.830) 14.961 12.463 ( 6.156 5.070 7.122) 10.692 13.062 ( 8.842 5.863 4.903) 11.688 13.456 ( -14.728 -4.471 -14.292) 21.004 13.880 ( 14.789 9.487 -4.928) 18.248 14.387 ( 0.850 12.934 10.683) 16.797 15.538 ( -5.768 -10.727 -5.618) 13.412 15.783 ( 4.315 -19.286 4.736) 20.322 16.126 ( -2.686 3.343 -2.212) 4.825 17.163 ( -13.982 -2.208 19.063) 23.744 17.496 ( 10.007 -5.347 -18.199) 21.446 20.549 ( 0.219 0.965 0.155) 1.002 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 7.637 -12.671 -15.466) 21.403 1.741 ( 6.737 -13.042 -20.046) 24.846 2.415 ( -6.272 -2.535 5.072) 8.455 2.557 ( -16.350 0.752 10.343) 19.362 2.700 ( -1.160 -2.733 13.454) 13.777 2.820 ( -1.131 4.012 8.398) 9.376 2.965 ( 12.981 -20.625 -19.083) 30.952 3.023 ( -3.195 2.842 -0.957) 4.382 3.187 ( 0.497 8.773 -8.439) 12.183 3.370 ( 7.932 -1.064 -4.331) 9.100 3.633 ( 7.687 2.632 5.665) 9.905 3.800 ( -1.697 6.685 -6.744) 9.647 4.031 ( -9.012 -2.909 5.905) 11.160 4.146 ( 1.583 2.188 8.144) 8.580 4.346 ( -1.858 -0.739 -5.387) 5.746 4.514 ( -5.679 0.417 11.516) 12.847 4.726 ( 1.568 13.380 -0.224) 13.473 5.203 ( 5.452 -3.723 3.951) 7.694 5.436 ( -4.127 -0.730 -2.811) 5.047 5.740 ( 7.628 -0.198 -4.404) 8.810 5.816 ( -7.353 -2.969 -0.487) 7.945 6.174 ( -1.348 4.114 1.848) 4.707 6.325 ( -0.118 2.456 0.166) 2.465 6.424 ( 6.085 11.193 3.412) 13.189 6.876 ( -1.644 -3.361 -2.885) 4.724 7.129 ( -1.925 -0.362 5.145) 5.505 7.783 ( 0.631 2.597 -0.401) 2.703 8.097 ( 0.027 0.932 3.982) 4.090 8.133 ( 2.546 2.416 -3.068) 4.661 8.279 ( 1.484 -1.556 0.753) 2.278 8.346 ( -1.822 4.307 1.760) 4.996 8.578 ( -1.012 -0.631 4.701) 4.850 8.639 ( -6.380 -4.198 -2.254) 7.963 9.052 ( -0.293 1.879 0.379) 1.939 9.242 ( 8.739 -4.693 -0.449) 9.930 9.326 ( -1.384 2.329 -0.298) 2.726 9.530 ( -4.045 -5.382 0.656) 6.765 9.631 ( 5.333 -0.380 -4.588) 7.045 9.750 ( -1.263 10.582 0.116) 10.658 10.106 ( -5.032 3.088 -0.533) 5.928 10.270 ( 1.913 -0.768 -0.119) 2.065 10.464 ( 0.732 2.498 -2.994) 3.968 10.578 ( 0.340 -0.075 -7.666) 7.674 11.120 ( 4.892 -0.497 7.785) 9.208 11.733 ( -2.510 1.378 1.097) 3.066 11.796 ( -3.488 -6.948 4.459) 8.963 12.621 ( -4.697 1.793 8.173) 9.596 13.097 ( -9.343 -5.695 -7.633) 13.341 13.251 ( 13.167 15.869 -11.157) 23.445 14.068 ( 14.956 12.200 -5.754) 20.140 14.613 ( -4.237 8.143 14.302) 16.994 15.303 ( -4.916 -15.337 -3.444) 16.470 15.836 ( 9.071 -13.442 7.183) 17.736 16.079 ( -2.772 1.747 -2.554) 4.155 16.904 ( -19.711 -10.066 -10.943) 24.690 17.607 ( 10.734 2.196 9.263) 14.347 20.558 ( 0.173 0.675 -0.051) 0.699 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 23.959 -11.099 4.404) 26.770 1.344 ( 21.489 -7.428 11.409) 25.438 2.474 ( 24.731 -6.076 12.871) 28.534 2.640 ( 3.850 -3.075 -5.748) 7.570 2.849 ( 6.251 1.205 6.727) 9.261 2.883 ( -5.035 4.428 2.272) 7.079 2.970 ( -8.502 -4.368 1.719) 9.712 3.048 ( -8.937 3.274 -8.354) 12.664 3.177 ( -3.117 -8.965 -9.666) 13.547 3.396 ( -2.633 3.493 -6.426) 7.774 3.552 ( -1.862 1.140 -0.399) 2.220 3.714 ( 1.573 1.925 -2.681) 3.656 3.951 ( -1.817 7.287 12.094) 14.236 4.232 ( 7.083 5.435 -5.466) 10.468 4.274 ( -5.227 -5.374 3.695) 8.358 4.672 ( -11.179 6.178 -3.385) 13.213 4.889 ( -9.708 -5.418 -7.025) 13.151 5.203 ( 1.636 2.157 1.666) 3.179 5.490 ( 0.511 -1.582 -4.941) 5.213 5.559 ( 6.418 3.418 3.731) 8.173 5.817 ( 2.709 -3.115 6.263) 7.501 6.168 ( -11.298 0.798 -0.002) 11.326 6.346 ( -4.898 13.564 -5.609) 15.473 6.392 ( -2.099 -4.199 -2.091) 5.139 6.951 ( 0.173 -5.089 -3.255) 6.043 7.365 ( 4.445 -5.504 -6.581) 9.662 7.719 ( 9.257 2.070 4.077) 10.325 7.948 ( -4.223 4.007 2.723) 6.427 8.170 ( -3.167 -2.454 1.038) 4.139 8.261 ( -4.933 5.574 -2.878) 7.980 8.405 ( -6.175 2.984 -1.095) 6.945 8.591 ( 2.472 -0.973 1.977) 3.311 8.738 ( -3.341 -4.126 1.356) 5.480 9.005 ( 4.602 1.098 1.916) 5.104 9.162 ( 3.446 -0.905 2.644) 4.437 9.303 ( -2.917 0.257 -1.702) 3.386 9.467 ( 0.164 5.215 -0.546) 5.246 9.653 ( 6.040 5.293 -5.763) 9.884 9.740 ( -7.794 -8.440 2.521) 11.762 10.102 ( -4.834 -4.259 2.610) 6.951 10.159 ( -0.582 6.432 5.707) 8.618 10.313 ( 7.605 0.077 1.100) 7.685 10.497 ( -6.588 3.311 -2.045) 7.651 11.352 ( 9.869 -5.864 -6.108) 13.004 11.780 ( -10.528 4.441 -2.946) 11.800 12.114 ( 0.923 -5.543 -1.675) 5.863 12.526 ( -7.968 2.882 5.601) 10.158 12.785 ( -11.448 1.563 6.809) 13.411 13.109 ( 9.269 4.592 -1.869) 10.512 13.916 ( -2.290 3.243 -7.474) 8.463 14.902 ( -7.233 5.000 -6.567) 10.974 15.349 ( 11.302 -4.867 2.161) 12.494 15.780 ( 8.078 -2.497 4.003) 9.355 16.086 ( -1.969 1.993 0.592) 2.863 16.669 ( 6.633 -8.836 18.239) 21.324 18.007 ( -3.774 -0.422 -16.214) 16.653 20.551 ( -0.676 0.384 -0.075) 0.781 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 20.100 -9.113 8.512) 23.654 1.721 ( 18.022 -3.555 15.140) 23.805 2.533 ( -1.097 -7.861 -5.451) 9.629 2.685 ( -6.472 -8.816 -9.293) 14.352 2.797 ( -5.181 2.210 3.975) 6.894 2.879 ( -0.536 2.724 -0.912) 2.922 2.917 ( -1.535 -0.985 -6.317) 6.575 3.018 ( -2.279 -0.340 3.665) 4.329 3.110 ( 12.564 -3.494 0.402) 13.047 3.369 ( 11.797 3.730 5.152) 13.402 3.593 ( -1.268 4.868 1.416) 5.225 3.735 ( 1.867 4.821 -2.094) 5.578 4.083 ( -2.515 -1.033 1.955) 3.349 4.178 ( -10.292 1.275 6.661) 12.326 4.266 ( 4.256 0.339 -8.281) 9.317 4.542 ( -7.569 6.907 -4.409) 11.155 4.662 ( -5.493 -6.083 -5.381) 9.805 5.269 ( 4.264 3.789 -0.303) 5.712 5.431 ( -1.429 -3.030 -1.304) 3.595 5.681 ( 0.350 4.436 3.108) 5.428 5.856 ( 0.083 -8.661 1.791) 8.845 6.046 ( -8.527 4.915 2.142) 10.072 6.328 ( -3.804 12.485 -4.976) 13.968 6.339 ( 0.142 -2.906 -0.321) 2.927 6.902 ( 1.301 -2.502 -0.955) 2.977 7.262 ( 2.163 -2.971 -10.076) 10.726 7.760 ( -1.645 2.601 -2.453) 3.936 8.033 ( -2.839 1.850 4.042) 5.274 8.156 ( 3.536 0.265 -1.809) 3.981 8.233 ( -1.653 1.376 4.326) 4.831 8.337 ( -3.712 2.646 -2.258) 5.087 8.643 ( -1.747 -5.479 3.470) 6.717 8.674 ( 3.625 -3.393 -2.506) 5.562 9.045 ( -0.399 0.934 -1.276) 1.631 9.189 ( -7.717 -1.062 5.246) 9.392 9.321 ( 9.374 6.624 -1.496) 11.576 9.566 ( -2.293 3.325 2.464) 4.731 9.601 ( -2.490 -6.346 1.968) 7.095 9.669 ( 2.037 2.253 -3.329) 4.507 10.046 ( -4.832 -1.908 2.215) 5.648 10.249 ( -1.574 4.995 3.226) 6.151 10.391 ( -5.092 2.235 -0.271) 5.568 10.483 ( 4.911 3.306 5.519) 8.094 11.218 ( -5.600 2.447 -13.363) 14.694 11.788 ( 8.203 -1.991 1.705) 8.611 11.988 ( 2.432 -10.528 -7.802) 13.328 12.544 ( -12.884 4.642 5.808) 14.875 12.778 ( -7.313 7.898 8.649) 13.808 13.248 ( 8.423 -6.172 6.337) 12.214 13.894 ( -1.197 15.146 -2.318) 15.369 14.671 ( -10.624 -0.188 -13.712) 17.348 15.460 ( 9.443 -8.211 2.085) 12.686 15.972 ( 9.332 5.847 4.905) 12.055 16.078 ( 0.188 -1.420 -1.019) 1.758 16.850 ( 0.223 -17.679 17.589) 24.939 17.770 ( 1.061 3.009 -17.380) 17.671 20.546 ( -0.690 0.640 0.064) 0.943 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 12.571 -4.984 6.724) 15.102 2.072 ( 12.373 -3.363 10.863) 16.805 2.285 ( -3.529 -11.812 -8.148) 14.777 2.435 ( -4.750 -11.713 -10.593) 16.491 2.695 ( -5.607 -1.413 -1.552) 5.987 2.880 ( 6.642 3.095 -0.222) 7.331 2.983 ( 0.014 1.227 7.272) 7.375 3.053 ( 2.068 -1.887 -0.076) 2.800 3.197 ( -0.268 8.045 5.210) 9.588 3.537 ( -7.033 1.171 -4.556) 8.461 3.712 ( 3.058 2.692 1.407) 4.310 3.786 ( 11.908 1.937 2.876) 12.403 3.937 ( -3.115 -2.322 -3.925) 5.522 4.084 ( -3.341 -6.255 -12.820) 14.651 4.252 ( -4.099 9.684 4.696) 11.517 4.482 ( -1.360 -0.014 -1.468) 2.001 4.601 ( 0.446 1.268 2.493) 2.832 5.349 ( 6.037 3.362 -2.634) 7.395 5.363 ( -3.874 -3.528 0.389) 5.254 5.672 ( -5.075 -1.476 -0.953) 5.371 5.810 ( -4.212 2.303 3.524) 5.955 6.110 ( 0.975 3.691 5.219) 6.466 6.264 ( -1.962 -4.381 -0.781) 4.863 6.363 ( -0.159 12.269 -3.868) 12.866 6.922 ( 0.972 -1.647 3.369) 3.874 7.149 ( 1.960 0.497 -9.087) 9.309 7.735 ( -1.177 1.651 -0.393) 2.066 7.998 ( -4.695 1.297 -0.708) 4.922 8.152 ( 0.051 2.213 -2.173) 3.102 8.242 ( -3.141 2.119 -1.870) 4.225 8.399 ( 7.103 -1.748 3.703) 8.198 8.563 ( -2.349 -6.811 1.094) 7.287 8.721 ( 4.151 1.339 -1.338) 4.562 9.008 ( -1.624 -0.120 -1.053) 1.939 9.151 ( -6.083 -3.338 3.930) 7.974 9.451 ( -3.180 -3.206 -0.803) 4.586 9.482 ( 4.537 7.112 0.992) 8.494 9.611 ( -2.879 -2.912 -1.028) 4.222 9.734 ( 4.946 3.026 2.533) 6.327 10.036 ( -1.351 2.024 2.584) 3.549 10.257 ( -6.292 3.628 1.111) 7.348 10.354 ( -1.210 4.307 -0.480) 4.499 10.654 ( 4.993 2.495 4.524) 7.184 11.021 ( -7.028 6.201 -7.509) 12.010 11.810 ( 3.233 -9.365 -5.497) 11.330 11.986 ( 12.564 0.826 0.736) 12.612 12.416 ( -12.776 -3.286 0.310) 13.195 12.906 ( -8.261 7.910 14.529) 18.491 13.379 ( 11.541 -2.975 0.700) 11.939 14.002 ( -3.465 14.097 2.614) 14.750 14.360 ( -10.518 2.944 -11.812) 16.088 15.513 ( 6.660 -10.887 1.862) 12.898 15.996 ( -0.293 -7.379 -6.073) 9.561 16.162 ( 3.743 4.949 2.563) 6.713 16.903 ( 3.212 -15.287 9.209) 18.133 17.661 ( 1.080 3.105 -6.632) 7.402 20.545 ( -0.510 0.885 0.144) 1.032 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -4.212 -11.740 -14.341) 19.006 2.045 ( -1.159 -15.776 -16.454) 22.825 2.202 ( 7.729 -4.818 5.435) 10.606 2.460 ( 8.104 -0.969 14.711) 16.823 2.682 ( -2.419 2.658 5.779) 6.805 2.970 ( -4.221 6.634 4.391) 9.006 3.049 ( 2.927 -4.072 -1.167) 5.149 3.145 ( 9.018 -1.419 8.302) 12.340 3.283 ( -7.504 -6.196 -10.310) 14.178 3.296 ( -4.206 3.755 -1.919) 5.956 3.524 ( -4.771 -7.839 -12.744) 15.704 3.830 ( -0.154 5.800 -3.578) 6.817 3.934 ( 0.141 2.889 -5.422) 6.145 4.077 ( 0.872 7.386 6.473) 9.860 4.313 ( 8.230 0.666 -3.171) 8.845 4.516 ( -3.563 3.931 9.115) 10.546 4.679 ( 1.311 2.401 5.123) 5.807 5.247 ( -6.970 -4.319 -0.428) 8.210 5.439 ( 7.989 0.890 -2.065) 8.299 5.596 ( -3.430 0.134 -1.567) 3.773 5.871 ( -0.356 7.435 4.814) 8.865 6.122 ( -1.898 -3.151 -2.687) 4.555 6.271 ( -0.370 -0.128 5.549) 5.563 6.400 ( 0.302 12.289 -3.953) 12.913 6.951 ( -1.755 -2.958 3.324) 4.783 7.120 ( 2.253 2.662 -0.775) 3.572 7.743 ( 0.644 1.020 -0.184) 1.221 7.962 ( -1.760 3.538 0.242) 3.959 8.131 ( 0.035 0.196 -3.325) 3.331 8.216 ( 0.482 1.199 -0.734) 1.486 8.473 ( 2.273 1.563 1.718) 3.249 8.525 ( -1.468 -3.169 -1.386) 3.757 8.765 ( 2.717 1.053 1.719) 3.383 8.988 ( -4.418 -2.408 3.143) 5.932 9.142 ( 8.014 -3.616 -0.074) 8.792 9.353 ( -6.803 -2.446 -1.754) 7.439 9.519 ( -3.400 -6.686 -0.683) 7.532 9.585 ( 0.388 8.421 -0.761) 8.465 9.816 ( 1.250 4.838 0.083) 4.998 10.104 ( 1.987 1.513 4.790) 5.402 10.232 ( -3.279 3.674 0.526) 4.952 10.391 ( 1.628 5.058 -0.100) 5.315 10.659 ( 3.238 2.346 -12.990) 13.592 11.009 ( -4.497 2.395 9.439) 10.726 11.730 ( 1.325 -1.133 -3.704) 4.094 12.180 ( 5.800 -0.462 2.940) 6.519 12.249 ( -3.852 -6.665 3.364) 8.401 13.019 ( -5.778 6.544 8.407) 12.120 13.495 ( 10.755 5.023 -7.180) 13.873 13.866 ( -12.791 -2.193 -7.411) 14.945 14.373 ( -0.705 16.116 8.462) 18.216 15.528 ( 5.313 -10.800 1.031) 12.080 15.800 ( -3.772 -17.780 -5.637) 19.030 16.198 ( -2.216 5.145 -2.463) 6.120 17.002 ( 16.280 -7.529 -0.886) 17.959 17.615 ( -9.410 -1.621 5.084) 10.817 20.549 ( -0.225 0.972 0.129) 1.006 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -2.108 -16.559 -17.171) 23.948 1.660 ( -0.829 -17.076 -21.005) 27.083 2.378 ( 7.718 -2.726 6.771) 10.623 2.709 ( 3.048 0.792 12.524) 12.914 2.756 ( -2.243 -17.580 -19.744) 26.531 2.815 ( -0.016 -0.274 4.793) 4.800 2.969 ( -9.201 -1.167 3.135) 9.791 3.101 ( -0.413 1.787 1.085) 2.131 3.234 ( -4.552 1.492 -3.215) 5.769 3.309 ( -1.952 3.721 3.592) 5.527 3.451 ( 5.401 4.304 2.778) 7.444 3.808 ( 0.588 6.991 -8.194) 10.787 3.969 ( 6.119 3.039 1.880) 7.086 4.139 ( -0.057 1.014 -0.341) 1.071 4.368 ( 2.584 -1.284 -0.234) 2.895 4.632 ( -4.146 9.937 7.895) 13.351 4.783 ( -1.189 2.997 7.699) 8.347 5.160 ( -3.832 -3.925 2.645) 6.090 5.506 ( 7.674 -2.764 -2.147) 8.434 5.532 ( -1.606 1.388 -3.960) 4.493 5.947 ( -2.430 -1.728 -1.757) 3.461 6.105 ( 5.746 6.992 2.971) 9.525 6.313 ( -4.376 1.645 4.517) 6.500 6.437 ( -0.202 10.598 -2.991) 11.014 6.932 ( -3.334 -2.727 2.119) 4.800 7.179 ( -0.729 -0.049 5.123) 5.175 7.746 ( 1.858 2.382 -3.333) 4.498 8.038 ( 3.313 3.233 5.720) 7.358 8.078 ( 1.421 0.118 -5.663) 5.840 8.245 ( 1.325 1.258 1.898) 2.635 8.443 ( -4.654 0.086 -1.400) 4.860 8.557 ( 1.547 4.922 2.856) 5.897 8.805 ( -1.659 -2.572 1.459) 3.390 8.974 ( 1.738 -0.900 2.047) 2.832 9.204 ( -7.424 -2.107 -3.280) 8.386 9.295 ( 16.826 -1.977 0.164) 16.943 9.426 ( -3.291 -5.661 -0.287) 6.554 9.598 ( -3.907 6.088 -1.585) 7.406 9.848 ( -1.997 5.932 -0.138) 6.261 10.190 ( 1.476 -0.853 2.758) 3.242 10.218 ( -0.830 2.138 -1.743) 2.881 10.429 ( 1.599 3.102 -4.271) 5.516 10.551 ( 2.957 6.173 -10.609) 12.626 11.073 ( -0.879 -9.617 8.438) 12.824 11.762 ( -1.124 10.542 3.269) 11.094 12.031 ( -11.525 -13.193 3.675) 17.899 12.480 ( 13.067 3.631 8.922) 16.233 13.072 ( 0.162 11.499 -4.503) 12.350 13.367 ( -7.867 -2.728 -14.683) 16.880 13.790 ( 3.750 8.124 -0.039) 8.948 14.621 ( 1.561 11.033 13.608) 17.588 15.440 ( -4.582 -11.508 -7.189) 14.322 15.639 ( 5.368 -18.785 4.157) 19.974 16.156 ( -3.097 4.384 -3.522) 6.420 17.065 ( 15.720 -7.530 -17.504) 24.702 17.577 ( -15.465 -3.472 20.196) 25.673 20.556 ( 0.005 0.846 0.046) 0.847 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 4.625 -17.333 -15.048) 23.415 1.291 ( 5.485 -16.977 -21.986) 28.314 2.245 ( 10.641 -34.746 -25.467) 44.374 2.509 ( 0.071 -0.459 6.334) 6.351 2.850 ( -3.176 -3.749 3.682) 6.140 2.916 ( -2.034 3.808 9.701) 10.618 2.997 ( -4.753 6.169 11.029) 13.502 3.105 ( -4.815 8.883 0.654) 10.125 3.171 ( -3.994 5.846 -4.221) 8.243 3.358 ( -0.781 3.396 6.555) 7.424 3.616 ( 7.351 3.769 2.919) 8.761 3.740 ( -0.404 3.305 -8.006) 8.671 4.091 ( -1.160 -4.279 -2.324) 5.006 4.128 ( 9.072 2.096 1.538) 9.437 4.329 ( -4.017 -0.661 -2.276) 4.664 4.761 ( -3.127 7.416 9.319) 12.313 4.873 ( -5.037 8.231 6.898) 11.862 5.175 ( 2.500 -2.625 3.864) 5.298 5.435 ( -3.971 -2.838 -2.127) 5.324 5.565 ( 8.495 -1.754 -4.559) 9.799 5.825 ( -2.721 -5.291 -5.352) 8.003 6.287 ( -3.775 6.098 3.914) 8.171 6.351 ( 2.639 5.243 4.924) 7.661 6.485 ( 2.493 11.970 -0.144) 12.227 6.886 ( -4.638 -2.672 1.405) 5.534 7.205 ( -2.254 -4.150 4.233) 6.342 7.720 ( 3.974 -2.228 -7.774) 9.010 8.053 ( 1.049 3.663 -2.224) 4.412 8.173 ( 1.724 2.876 4.907) 5.943 8.323 ( 0.938 4.880 4.995) 7.046 8.417 ( -1.289 1.906 2.886) 3.691 8.600 ( -2.358 2.421 -1.100) 3.554 8.733 ( -8.200 -1.962 1.236) 8.522 9.031 ( 1.540 1.562 -4.994) 5.455 9.109 ( 6.055 -3.662 0.180) 7.079 9.355 ( -0.746 -1.832 -1.590) 2.538 9.503 ( 11.678 -0.757 3.524) 12.221 9.535 ( -5.244 -2.683 -1.569) 6.096 9.851 ( -3.318 9.417 -1.810) 10.147 10.160 ( -2.906 1.224 -2.682) 4.139 10.227 ( 2.503 -1.709 -1.882) 3.567 10.338 ( -0.536 0.772 -10.859) 10.900 10.568 ( 0.259 4.488 1.025) 4.610 11.093 ( 5.116 -14.708 5.843) 16.632 11.864 ( -7.128 -4.070 5.033) 9.629 11.911 ( -5.642 5.154 10.351) 12.866 12.751 ( 4.361 5.038 7.360) 9.928 13.023 ( -2.924 14.918 -19.489) 24.716 13.126 ( 0.566 -0.709 -5.132) 5.212 13.932 ( 10.088 8.180 -0.720) 13.008 14.880 ( -0.351 6.747 13.545) 15.136 15.199 ( -3.696 -14.808 -3.566) 15.673 15.678 ( 9.278 -11.020 1.887) 14.528 16.116 ( -2.352 2.707 -0.643) 3.643 16.779 ( -7.784 -11.341 -21.123) 25.207 17.762 ( 0.783 -0.786 23.032) 23.059 20.561 ( 0.018 0.587 -0.073) 0.592 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.000 -0.000 19.423) 19.423 1.921 ( -0.000 -0.000 19.423) 19.423 2.481 ( 0.000 0.000 -0.142) 0.142 2.656 ( 0.000 0.000 -6.389) 6.389 2.656 ( 0.000 -0.000 -6.389) 6.389 2.731 ( 0.000 0.000 -7.646) 7.646 2.834 ( 0.000 -0.000 1.846) 1.846 2.834 ( 0.000 0.000 1.846) 1.846 3.488 ( -0.000 -0.000 16.494) 16.494 3.598 ( 0.000 -0.000 1.150) 1.150 3.598 ( 0.000 0.000 1.150) 1.150 4.014 ( 0.000 0.000 -6.414) 6.414 4.112 ( -0.000 0.000 -4.649) 4.649 4.112 ( 0.000 -0.000 -4.649) 4.649 4.230 ( -0.000 -0.000 2.155) 2.155 4.634 ( -0.000 -0.000 15.575) 15.575 4.680 ( 0.000 0.000 -7.456) 7.456 4.680 ( 0.000 0.000 -7.456) 7.456 5.602 ( 0.000 0.000 -7.794) 7.794 5.602 ( 0.000 -0.000 -7.794) 7.794 5.819 ( -0.000 -0.000 8.440) 8.440 6.232 ( 0.000 0.000 -8.518) 8.518 6.248 ( 0.000 -0.000 -1.402) 1.402 6.248 ( 0.000 0.000 -1.402) 1.402 7.374 ( -0.000 -0.000 10.011) 10.011 7.374 ( -0.000 -0.000 10.011) 10.011 7.961 ( 0.000 0.000 -4.391) 4.391 8.000 ( -0.000 0.000 -5.488) 5.488 8.000 ( 0.000 0.000 -5.488) 5.488 8.266 ( 0.000 0.000 -3.105) 3.105 8.266 ( 0.000 0.000 -3.105) 3.105 8.345 ( -0.000 -0.000 1.177) 1.177 8.811 ( 0.000 0.000 -5.497) 5.497 8.949 ( 0.000 0.000 1.412) 1.412 8.949 ( 0.000 -0.000 1.412) 1.412 9.230 ( 0.000 0.000 -3.457) 3.457 9.567 ( -0.000 0.000 3.907) 3.907 9.567 ( 0.000 -0.000 3.907) 3.907 10.104 ( 0.000 0.000 -6.324) 6.324 10.104 ( 0.000 -0.000 -6.324) 6.324 10.243 ( 0.000 0.000 -5.181) 5.181 10.612 ( 0.000 0.000 -11.374) 11.374 10.817 ( -0.000 0.000 3.719) 3.719 10.817 ( 0.000 -0.000 3.719) 3.719 11.598 ( -0.000 -0.000 12.958) 12.958 12.258 ( 0.000 0.000 -7.114) 7.114 12.258 ( 0.000 -0.000 -7.114) 7.114 12.494 ( -0.000 -0.000 4.032) 4.032 13.719 ( 0.000 0.000 -14.995) 14.995 13.719 ( 0.000 -0.000 -14.995) 14.995 14.506 ( -0.000 -0.000 12.392) 12.392 15.433 ( -0.000 -0.000 12.733) 12.733 15.433 ( 0.000 -0.000 12.733) 12.733 16.545 ( 0.000 0.000 -22.143) 22.143 17.258 ( 0.000 -0.000 13.419) 13.419 17.258 ( 0.000 0.000 13.419) 13.419 20.549 ( 0.000 0.000 -1.016) 1.016 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.930 -0.856 11.289) 11.360 2.177 ( 4.289 2.997 12.049) 13.136 2.352 ( -11.302 -8.245 3.240) 14.360 2.484 ( -10.069 -11.828 -2.258) 15.697 2.613 ( -2.543 7.935 0.160) 8.334 2.712 ( 1.706 -3.034 3.218) 4.740 2.793 ( -0.469 7.891 2.489) 8.287 3.074 ( 12.002 0.788 3.667) 12.574 3.528 ( -2.337 -2.949 -3.255) 4.975 3.609 ( -1.684 6.195 -2.593) 6.924 3.614 ( 3.666 -2.954 -0.811) 4.778 3.870 ( -3.911 -4.322 -8.733) 10.499 3.948 ( -8.132 -1.531 -3.195) 8.870 4.157 ( 4.149 5.024 -2.264) 6.898 4.330 ( -2.530 -2.559 10.208) 10.823 4.486 ( -2.235 -6.913 -4.353) 8.469 4.701 ( 7.710 7.581 -7.774) 13.317 4.865 ( 3.262 3.236 12.462) 13.282 5.492 ( 1.416 -0.058 -6.109) 6.271 5.545 ( 2.982 2.286 -8.850) 9.615 5.889 ( -2.735 -4.356 5.997) 7.901 6.052 ( -7.365 -0.910 -2.815) 7.938 6.227 ( 4.141 -4.315 -3.536) 6.948 6.324 ( 4.158 7.624 -2.133) 8.942 7.379 ( -8.096 -3.025 1.465) 8.766 7.495 ( -0.289 -1.210 7.433) 7.536 7.829 ( -3.646 -2.323 -3.143) 5.345 7.966 ( 0.389 5.738 -4.071) 7.046 8.002 ( 8.258 -1.126 -6.292) 10.442 8.232 ( -2.349 -0.875 2.176) 3.320 8.279 ( 0.247 0.015 0.518) 0.574 8.335 ( 0.580 0.059 -1.296) 1.421 8.749 ( -1.283 0.422 -1.028) 1.698 8.973 ( 2.067 1.235 3.997) 4.667 9.083 ( 8.420 3.114 2.022) 9.202 9.174 ( -2.053 -0.536 -1.781) 2.771 9.543 ( -6.486 -1.117 3.136) 7.290 9.658 ( 3.520 -0.271 3.651) 5.079 9.939 ( -5.509 -1.643 -5.692) 8.090 10.037 ( -0.492 -0.721 -8.275) 8.321 10.219 ( 3.251 2.220 -6.995) 8.026 10.390 ( 0.458 -3.552 -16.016) 16.411 10.683 ( -10.416 -3.728 0.510) 11.075 11.026 ( 12.074 6.715 0.894) 13.844 11.835 ( 1.720 2.251 15.798) 16.050 12.105 ( -3.962 -0.287 1.082) 4.117 12.245 ( 2.098 -3.886 -5.819) 7.305 12.550 ( -0.169 2.968 1.622) 3.387 13.447 ( -2.832 -3.174 -13.687) 14.332 13.686 ( 11.419 6.461 -13.671) 18.948 14.656 ( -1.192 -0.291 11.541) 11.606 15.537 ( -2.720 -6.013 13.112) 14.679 15.663 ( 2.827 6.055 12.647) 14.304 16.264 ( -1.395 0.396 -19.681) 19.734 17.138 ( -17.013 -10.067 9.770) 22.051 17.638 ( 13.577 7.113 8.664) 17.607 20.536 ( 0.173 0.104 -1.097) 1.116 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -14.261 -14.117 -0.343) 20.070 2.112 ( -17.512 -12.981 0.927) 21.818 2.451 ( -0.036 7.760 11.638) 13.988 2.531 ( 9.126 -2.209 10.850) 14.349 2.614 ( -3.261 5.545 1.973) 6.728 2.817 ( -2.742 10.166 8.428) 13.488 2.928 ( 8.305 -1.855 3.820) 9.327 3.139 ( -0.130 -5.404 -3.139) 6.250 3.471 ( 3.270 -1.778 0.277) 3.732 3.536 ( -0.435 0.399 -9.122) 9.141 3.596 ( -5.760 2.094 -2.601) 6.658 3.693 ( -3.749 -2.078 -7.118) 8.309 3.808 ( -4.271 -2.562 -3.920) 6.338 4.199 ( -0.496 -0.801 -1.057) 1.416 4.273 ( 1.424 -2.812 -3.084) 4.409 4.511 ( 0.125 -0.776 6.248) 6.297 4.757 ( 7.586 9.191 -7.706) 14.192 5.063 ( 1.863 2.258 10.446) 10.849 5.466 ( 4.116 -2.868 -5.377) 7.354 5.511 ( 3.851 6.540 -4.512) 8.829 5.843 ( -3.575 -6.789 2.460) 8.057 6.002 ( 1.700 -1.336 -1.146) 2.447 6.203 ( -0.376 1.058 -1.854) 2.168 6.387 ( 3.425 4.851 -2.373) 6.395 7.221 ( -8.390 -0.764 -5.534) 10.079 7.531 ( 0.536 -2.144 -0.570) 2.282 7.778 ( -1.801 0.062 0.196) 1.813 7.947 ( -2.432 1.924 -1.470) 3.432 8.036 ( 8.426 -1.944 -3.103) 9.187 8.221 ( -2.554 1.769 -1.724) 3.553 8.238 ( -0.630 -0.684 1.163) 1.489 8.431 ( 4.317 1.440 7.139) 8.466 8.747 ( -0.183 -0.080 0.198) 0.281 9.032 ( 1.476 -5.232 2.843) 6.134 9.155 ( -2.775 8.570 1.066) 9.071 9.240 ( 8.190 -1.112 2.262) 8.570 9.499 ( -5.270 1.252 2.503) 5.967 9.739 ( 2.223 -0.642 2.275) 3.245 9.798 ( -6.811 -1.283 -6.378) 9.418 9.908 ( 1.957 -2.144 -4.809) 5.617 10.145 ( 0.899 4.548 -8.843) 9.985 10.287 ( 8.237 -1.548 -8.267) 11.773 10.543 ( -8.452 -3.140 -0.638) 9.039 11.212 ( 14.030 7.411 -4.701) 16.549 11.911 ( -10.557 -0.152 7.562) 12.987 12.134 ( -0.410 -9.693 -2.609) 10.047 12.282 ( 6.092 6.430 14.183) 16.722 12.556 ( -1.168 4.242 -2.742) 5.184 13.253 ( -0.766 -3.445 -10.576) 11.149 13.733 ( 12.815 6.718 -10.111) 17.651 14.746 ( -0.961 -1.094 4.927) 5.137 15.586 ( -4.723 -7.792 9.077) 12.861 15.890 ( 1.961 7.626 9.872) 12.628 16.053 ( -1.887 0.617 -10.161) 10.353 16.981 ( -15.170 -11.138 9.108) 20.908 17.883 ( 8.975 5.422 1.268) 10.562 20.529 ( 0.526 0.305 -0.895) 1.082 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -18.814 -17.953 5.258) 26.531 1.826 ( -21.194 -10.279 6.825) 24.524 2.622 ( -3.570 4.414 10.628) 12.049 2.674 ( 6.332 2.406 2.813) 7.335 2.735 ( 3.368 1.464 1.510) 3.971 2.881 ( 1.187 -5.489 -7.068) 9.028 2.976 ( -3.255 10.284 7.280) 13.014 3.126 ( 3.244 -3.784 2.211) 5.452 3.372 ( -6.541 2.509 -6.973) 9.885 3.403 ( -16.602 -2.442 -1.690) 16.866 3.533 ( 1.045 -1.208 -6.726) 6.913 3.628 ( 6.425 -3.984 0.820) 7.604 3.762 ( 5.107 0.857 0.054) 5.179 4.124 ( 4.697 -9.800 -4.299) 11.687 4.312 ( 0.788 6.691 0.042) 6.737 4.560 ( -0.040 2.488 0.969) 2.671 4.806 ( 6.539 7.325 -7.435) 12.316 5.192 ( -0.596 1.668 5.876) 6.138 5.428 ( 3.962 -2.389 -3.380) 5.729 5.577 ( 2.352 3.170 -0.158) 3.951 5.823 ( 1.207 -4.456 3.788) 5.971 6.017 ( 7.896 -2.043 -3.460) 8.860 6.187 ( -2.734 5.724 -1.239) 6.463 6.411 ( 1.471 2.198 -2.282) 3.494 7.073 ( -5.484 2.360 -5.087) 7.843 7.466 ( -0.068 -0.610 -8.561) 8.583 7.745 ( -1.777 -0.529 -2.233) 2.903 7.934 ( -2.658 -2.510 6.471) 7.433 8.074 ( 6.568 -2.213 -4.133) 8.069 8.239 ( 6.079 2.440 -3.375) 7.369 8.249 ( -3.157 2.861 4.931) 6.516 8.580 ( 3.375 -0.052 5.805) 6.715 8.727 ( 0.187 -4.368 0.697) 4.427 9.085 ( 0.203 0.993 4.798) 4.903 9.156 ( -3.546 4.501 0.831) 5.790 9.326 ( 6.261 -4.446 0.249) 7.683 9.423 ( -8.154 -0.728 -4.813) 9.496 9.637 ( -2.503 -2.065 -1.790) 3.706 9.808 ( 0.029 7.260 -0.768) 7.300 9.972 ( 8.668 -1.344 5.340) 10.269 10.126 ( 0.610 6.092 -1.830) 6.390 10.301 ( 9.823 0.056 -5.925) 11.472 10.424 ( -6.408 -4.125 0.010) 7.620 11.323 ( 12.559 8.426 -12.953) 19.912 11.821 ( -11.626 -7.567 4.262) 14.512 12.120 ( 1.522 -2.165 7.362) 7.823 12.457 ( 1.526 2.684 -4.220) 5.229 12.658 ( 4.453 12.826 10.511) 17.170 13.109 ( -1.672 -8.052 -2.264) 8.530 13.799 ( 7.937 5.349 -7.398) 12.098 14.736 ( 3.479 -1.064 -7.152) 8.024 15.559 ( -7.164 -5.505 6.285) 11.006 15.949 ( -5.643 0.622 -0.192) 5.681 16.045 ( 0.902 1.729 4.797) 5.178 16.893 ( -8.829 -11.358 13.530) 19.749 17.955 ( 3.235 6.350 -8.139) 10.818 20.531 ( 0.866 0.482 -0.496) 1.108 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -20.534 -14.360 10.285) 27.085 1.671 ( -18.627 -7.946 16.495) 26.119 2.564 ( -4.092 -8.612 -9.065) 13.157 2.734 ( -5.095 -2.296 11.570) 12.849 2.784 ( 6.286 -0.401 -3.141) 7.038 2.888 ( 4.891 4.712 -8.387) 10.792 3.038 ( -13.962 -9.750 8.854) 19.193 3.062 ( -5.582 8.889 1.978) 10.682 3.258 ( -7.650 7.758 -2.880) 11.270 3.286 ( 1.881 4.513 -4.283) 6.500 3.463 ( 4.790 -4.546 -5.080) 8.331 3.657 ( 4.332 0.446 1.379) 4.567 3.922 ( 10.159 -5.024 3.504) 11.863 4.093 ( 5.126 -4.395 -0.633) 6.782 4.355 ( 0.562 3.337 -0.093) 3.385 4.588 ( 3.080 7.186 -4.163) 8.857 4.821 ( 4.331 4.953 -7.615) 10.063 5.215 ( -2.566 2.252 -0.583) 3.464 5.456 ( 3.675 -3.147 2.878) 5.630 5.562 ( -2.828 -3.600 -0.078) 4.578 5.901 ( 4.075 0.378 2.967) 5.056 6.065 ( 6.254 -1.067 -2.226) 6.723 6.217 ( 4.346 8.930 -1.156) 9.998 6.399 ( -0.215 0.134 -1.842) 1.859 6.991 ( -3.693 3.478 -2.961) 5.873 7.312 ( -2.853 -0.098 -11.055) 11.418 7.713 ( -0.239 -1.896 1.138) 2.224 7.997 ( -0.437 -1.811 7.717) 7.939 8.064 ( 6.061 -2.169 -6.307) 9.012 8.247 ( 1.270 -0.060 -1.112) 1.689 8.357 ( 4.486 5.890 1.849) 7.631 8.591 ( -1.323 -4.117 -0.841) 4.406 8.778 ( 3.740 -1.110 3.744) 5.407 9.044 ( -5.923 -0.393 -0.878) 6.001 9.225 ( -4.425 -0.559 2.040) 4.904 9.328 ( 1.052 -1.405 0.343) 1.789 9.357 ( 5.743 3.852 1.520) 7.081 9.569 ( -1.909 -4.930 -1.327) 5.451 9.828 ( -0.573 5.606 -2.336) 6.100 10.168 ( 1.479 2.669 2.924) 4.227 10.171 ( 5.117 4.765 3.647) 7.886 10.345 ( -3.529 -6.065 5.673) 9.023 10.381 ( 10.457 2.305 -2.408) 10.976 11.277 ( 0.779 3.878 -14.172) 14.714 11.718 ( -1.243 -4.456 0.994) 4.732 12.190 ( -5.850 2.991 -0.058) 6.570 12.481 ( 11.307 -1.517 -3.116) 11.826 12.844 ( -1.689 14.016 2.544) 14.345 13.166 ( 3.985 -7.719 19.023) 20.912 13.789 ( 1.123 4.165 -7.576) 8.718 14.667 ( 9.235 0.897 -14.536) 17.245 15.505 ( -9.872 -3.590 6.534) 12.371 15.856 ( -8.823 -7.151 1.495) 11.455 16.096 ( 0.048 2.025 1.815) 2.719 16.947 ( -2.551 -12.798 17.790) 22.063 17.842 ( -3.671 9.210 -17.597) 20.198 20.543 ( 0.958 0.528 -0.131) 1.102 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -4.460 -5.054 0.692) 6.776 2.319 ( 2.850 4.910 6.260) 8.451 2.433 ( 1.723 -13.195 4.915) 14.186 2.491 ( -4.066 -8.115 8.821) 12.657 2.603 ( 4.695 -2.486 5.815) 7.876 2.794 ( -5.878 10.504 4.597) 12.884 2.885 ( 8.375 -2.671 6.959) 11.212 3.151 ( -3.112 10.530 7.982) 13.575 3.423 ( -3.684 -10.071 -9.186) 14.120 3.522 ( 3.425 -0.954 -3.441) 4.948 3.604 ( 0.357 3.955 -5.636) 6.894 3.780 ( 0.916 -0.781 -9.540) 9.616 3.904 ( -1.572 -7.389 -3.002) 8.129 4.130 ( 2.815 7.068 -1.964) 7.858 4.413 ( -10.335 -3.062 -8.026) 13.439 4.483 ( 2.698 -0.997 5.641) 6.332 4.567 ( 5.616 4.832 -2.184) 7.724 5.045 ( 0.220 4.104 13.030) 13.663 5.394 ( -0.420 0.010 -5.624) 5.640 5.466 ( 0.213 6.689 -7.318) 9.917 5.945 ( -3.117 -6.764 2.566) 7.877 6.002 ( 0.859 -6.075 -3.266) 6.951 6.207 ( 0.168 2.270 0.602) 2.355 6.296 ( 1.274 6.866 -2.992) 7.597 7.338 ( 2.027 -8.606 -7.380) 11.517 7.505 ( -1.553 2.213 -5.954) 6.539 7.846 ( 2.923 -3.200 0.746) 4.397 7.871 ( -1.797 -0.220 1.116) 2.126 7.986 ( -1.574 7.092 -3.146) 7.916 8.231 ( 0.098 -4.925 -2.329) 5.448 8.320 ( 1.094 1.022 2.403) 2.831 8.348 ( -1.016 1.491 7.434) 7.650 8.743 ( 0.527 0.894 -0.295) 1.078 8.998 ( -1.616 -4.715 4.547) 6.746 9.130 ( 0.610 5.736 3.382) 6.687 9.199 ( -0.004 7.291 2.275) 7.637 9.593 ( 3.958 -6.496 3.908) 8.552 9.685 ( -3.055 0.409 2.577) 4.017 9.869 ( 2.122 -3.222 -7.566) 8.492 9.933 ( -1.782 -0.341 -5.341) 5.640 10.085 ( 0.835 -1.892 -14.942) 15.085 10.208 ( -2.419 4.024 -8.552) 9.756 10.705 ( 1.492 -5.417 -2.988) 6.364 10.972 ( -0.907 10.044 -4.029) 10.860 12.056 ( 6.330 -3.996 7.754) 10.778 12.107 ( -6.676 0.751 10.575) 12.528 12.216 ( 0.027 6.495 -2.180) 6.851 12.568 ( 1.461 -7.556 3.276) 8.364 13.317 ( -0.520 -0.081 -8.587) 8.603 13.516 ( -0.420 12.708 -11.803) 17.349 14.769 ( -0.089 -2.914 5.703) 6.405 15.714 ( -6.053 -5.137 11.806) 14.227 15.793 ( 6.437 1.341 10.254) 12.181 16.061 ( 0.291 4.436 -12.090) 12.881 17.234 ( -0.667 -20.506 6.335) 21.473 17.721 ( 0.207 14.396 3.926) 14.923 20.522 ( 0.000 0.244 -1.095) 1.122 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.531 -12.495 3.218) 16.041 2.264 ( -13.650 -11.326 5.813) 18.666 2.517 ( 6.406 -0.002 4.078) 7.594 2.597 ( 3.081 3.501 8.678) 9.852 2.725 ( 1.297 -1.268 4.602) 4.947 2.878 ( -0.117 1.110 6.066) 6.168 2.988 ( 0.021 -1.849 3.393) 3.864 3.172 ( -7.071 -3.632 -2.806) 8.430 3.353 ( 7.964 0.143 6.622) 10.358 3.499 ( -2.264 2.672 -3.939) 5.271 3.556 ( 3.015 1.762 -8.806) 9.474 3.663 ( -2.381 4.187 -6.913) 8.426 3.759 ( -3.953 -4.848 -6.299) 8.877 4.158 ( -5.032 -8.170 -4.609) 10.645 4.232 ( 1.419 7.813 -0.650) 7.967 4.568 ( 1.810 -0.520 2.468) 3.105 4.626 ( 6.136 5.107 -5.389) 9.632 5.219 ( -0.900 2.877 10.313) 10.745 5.352 ( 1.964 0.682 -4.467) 4.927 5.465 ( 3.952 8.539 -3.758) 10.132 5.857 ( -3.353 -8.805 1.463) 9.535 5.927 ( -0.109 -3.834 -2.646) 4.660 6.258 ( -1.963 4.335 2.108) 5.205 6.327 ( 4.848 3.933 -3.703) 7.259 7.180 ( -1.830 -3.752 -8.640) 9.595 7.410 ( 2.115 1.444 -10.601) 10.906 7.824 ( -3.205 -0.464 -1.180) 3.447 7.908 ( 5.405 -1.538 -0.653) 5.657 7.991 ( -1.000 3.262 1.294) 3.649 8.156 ( 0.496 -2.630 -4.201) 4.981 8.357 ( -4.920 -0.091 6.856) 8.439 8.488 ( 3.442 0.767 8.426) 9.135 8.745 ( -0.808 0.278 -0.950) 1.278 9.008 ( 2.686 -6.496 4.285) 8.232 9.215 ( 0.829 0.759 3.230) 3.420 9.294 ( -2.786 9.622 3.359) 10.565 9.614 ( -7.018 -0.047 1.144) 7.111 9.716 ( 7.982 -3.393 2.264) 8.964 9.760 ( -2.823 -1.526 -7.029) 7.726 9.822 ( -0.474 0.713 -3.032) 3.151 9.990 ( 7.457 1.987 -6.601) 10.155 10.161 ( 0.987 3.617 -4.116) 5.567 10.600 ( -6.029 -1.333 -3.026) 6.876 11.017 ( 9.715 7.834 -9.074) 15.430 12.055 ( -4.800 -4.200 -2.547) 6.868 12.107 ( -1.678 2.319 3.460) 4.491 12.422 ( 2.437 1.102 10.075) 10.424 12.550 ( 3.104 -7.697 6.142) 10.325 13.228 ( -7.044 6.743 -2.458) 10.056 13.553 ( 9.933 11.349 -5.696) 16.121 14.723 ( -0.987 -6.156 -7.096) 9.446 15.700 ( -4.962 -5.231 5.243) 8.915 15.971 ( 3.936 -0.457 4.920) 6.317 16.058 ( -1.755 7.156 4.561) 8.666 17.100 ( -7.218 -19.855 6.011) 21.964 17.858 ( 4.121 10.036 -2.298) 11.090 20.515 ( 0.414 0.542 -0.824) 1.069 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -15.277 -14.774 9.513) 23.284 2.112 ( -16.380 -7.799 11.066) 21.250 2.628 ( 5.154 -2.563 1.032) 5.848 2.667 ( -2.188 -6.319 -5.980) 8.971 2.747 ( 2.641 1.213 -3.612) 4.636 2.824 ( -3.097 -1.792 5.088) 6.220 3.077 ( 6.932 -1.521 4.339) 8.318 3.143 ( -1.729 1.316 1.442) 2.608 3.393 ( -0.397 0.521 -10.131) 10.152 3.435 ( -10.116 9.675 -3.144) 14.346 3.548 ( 4.365 0.498 4.251) 6.114 3.577 ( -3.353 -6.441 -2.350) 7.632 3.711 ( 2.477 7.558 1.721) 8.138 4.012 ( -3.538 -8.572 1.760) 9.439 4.291 ( 4.336 3.023 -3.888) 6.562 4.577 ( -0.171 1.246 -1.600) 2.035 4.669 ( 7.069 4.010 -5.864) 10.022 5.308 ( -4.674 5.517 1.324) 7.351 5.339 ( 5.029 -3.557 1.450) 6.328 5.561 ( 4.265 6.320 -0.296) 7.631 5.796 ( -0.232 -4.863 0.360) 4.882 5.923 ( 4.446 -0.547 1.272) 4.656 6.257 ( -3.208 5.695 -2.035) 6.846 6.362 ( 3.044 -0.343 -1.077) 3.247 7.057 ( -1.461 0.381 -5.471) 5.676 7.304 ( 2.427 0.799 -12.245) 12.509 7.769 ( -3.450 1.171 0.088) 3.644 7.933 ( 4.807 -2.704 -3.771) 6.681 8.027 ( -1.020 -0.017 4.151) 4.274 8.133 ( 4.971 1.564 -3.482) 6.268 8.374 ( -4.759 -0.221 6.132) 7.765 8.620 ( 1.784 -0.419 5.655) 5.945 8.698 ( -1.197 -4.954 -0.332) 5.107 9.095 ( 5.446 -4.100 4.363) 8.093 9.225 ( -0.745 -0.763 1.548) 1.879 9.330 ( -5.283 5.204 1.673) 7.602 9.470 ( -7.475 1.780 -6.021) 9.762 9.647 ( -3.806 -2.280 0.464) 4.461 9.807 ( 1.418 2.962 -2.739) 4.276 9.966 ( 12.078 4.417 8.905) 15.643 10.053 ( 9.237 1.274 -2.881) 9.760 10.166 ( 2.356 4.792 -2.673) 5.971 10.498 ( -6.924 -0.246 0.867) 6.982 11.063 ( 11.717 7.807 -13.110) 19.238 11.909 ( -9.348 -7.329 0.733) 11.901 12.186 ( 3.377 3.244 3.523) 5.860 12.363 ( -0.857 -8.082 -4.816) 9.447 12.808 ( 8.165 6.683 11.720) 15.770 13.179 ( -8.179 5.533 3.479) 10.469 13.716 ( 6.658 8.621 2.193) 11.111 14.520 ( 2.397 -5.158 -17.418) 18.323 15.682 ( -4.906 -3.320 5.089) 7.810 16.015 ( -3.250 -3.179 3.798) 5.924 16.129 ( -2.557 2.685 3.704) 5.241 17.005 ( -3.320 -18.033 11.048) 21.407 17.876 ( 0.957 8.412 -10.005) 13.106 20.519 ( 0.833 0.819 -0.388) 1.231 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -17.663 -10.783 12.668) 24.264 2.051 ( -15.861 -4.713 16.174) 23.138 2.407 ( -3.454 -12.946 -9.717) 16.551 2.652 ( 0.832 -5.227 -10.092) 11.395 2.697 ( 3.980 0.897 -3.379) 5.297 2.905 ( 3.290 1.542 2.814) 4.596 3.108 ( -3.494 -0.352 -1.452) 3.800 3.184 ( 7.946 -0.029 -1.554) 8.096 3.281 ( -0.291 1.229 -7.725) 7.827 3.322 ( -11.606 5.474 0.496) 12.842 3.509 ( -9.312 -4.089 9.291) 13.775 3.671 ( 1.876 7.262 6.361) 9.835 3.834 ( 3.901 -0.009 4.562) 6.003 4.024 ( 5.446 0.655 0.819) 5.546 4.286 ( 5.489 -4.607 -3.463) 7.959 4.560 ( 0.539 5.083 -5.337) 7.390 4.693 ( 5.365 1.526 -5.439) 7.791 5.285 ( -4.859 5.246 -0.393) 7.161 5.400 ( 5.314 -7.037 2.625) 9.201 5.594 ( -2.723 1.668 0.978) 3.340 5.816 ( 5.363 4.537 -3.105) 7.681 6.050 ( 6.665 0.534 6.229) 9.138 6.232 ( -0.586 7.402 -3.540) 8.226 6.361 ( 0.673 -3.187 -0.780) 3.349 7.007 ( -1.565 1.845 -1.747) 2.984 7.171 ( 1.156 -0.531 -11.166) 11.238 7.755 ( -3.039 0.320 1.350) 3.340 7.919 ( 4.490 -0.430 -2.834) 5.327 8.077 ( 0.092 0.281 4.298) 4.308 8.179 ( 4.673 0.712 -1.102) 4.854 8.417 ( -0.330 2.825 4.151) 5.032 8.590 ( -4.759 -5.381 0.873) 7.236 8.734 ( 5.550 -2.994 1.527) 6.488 9.071 ( -2.839 -4.045 -2.150) 5.389 9.241 ( -4.736 -1.638 -2.266) 5.500 9.368 ( -4.186 4.108 1.476) 6.048 9.392 ( 6.225 6.101 3.769) 9.497 9.592 ( -5.151 -2.337 1.378) 5.822 9.805 ( 1.397 0.946 -2.426) 2.955 10.117 ( 6.583 0.300 -4.239) 7.835 10.186 ( 2.233 5.670 -0.164) 6.096 10.263 ( 10.832 4.697 3.073) 12.200 10.486 ( -3.999 -0.354 10.487) 11.229 11.069 ( 8.617 7.750 -14.331) 18.431 11.772 ( -8.608 -7.815 4.217) 12.367 12.242 ( 5.160 -8.667 -6.849) 12.192 12.291 ( -0.523 4.817 1.817) 5.175 12.993 ( -0.464 17.489 -4.311) 18.019 13.278 ( 5.496 -7.866 17.092) 19.602 13.832 ( -5.425 6.809 5.313) 10.199 14.348 ( 10.931 2.361 -18.223) 21.380 15.640 ( -6.277 -4.811 2.892) 8.421 15.946 ( -8.665 -7.467 3.478) 11.955 16.150 ( -1.825 2.245 2.014) 3.525 17.022 ( -0.135 -18.089 12.406) 21.935 17.758 ( -3.215 9.003 -14.769) 17.593 20.534 ( 0.969 0.879 -0.077) 1.311 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 6.390 -9.616 2.577) 11.830 2.252 ( 14.330 -5.706 2.428) 15.614 2.463 ( -5.821 -4.085 6.092) 9.364 2.587 ( -0.277 -2.940 9.468) 9.918 2.728 ( -4.574 -0.259 6.414) 7.882 2.836 ( 5.595 -4.020 9.651) 11.858 3.005 ( -2.313 4.676 4.154) 6.668 3.159 ( 5.509 -1.366 -5.873) 8.167 3.325 ( -3.723 -7.888 -8.179) 11.958 3.474 ( 2.144 -3.541 -1.680) 4.468 3.578 ( -3.146 10.713 -1.942) 11.333 3.644 ( 0.476 4.391 -6.689) 8.015 3.845 ( 5.403 -3.741 0.622) 6.601 4.113 ( -5.147 0.871 -5.258) 7.409 4.362 ( 10.268 6.392 -3.109) 12.488 4.493 ( -11.242 -2.299 -4.633) 12.375 4.588 ( -0.338 -0.325 1.551) 1.620 5.215 ( 1.799 2.235 10.985) 11.353 5.374 ( -4.605 1.922 -4.748) 6.888 5.444 ( -2.162 7.397 -4.218) 8.785 5.919 ( 1.039 -0.920 0.188) 1.400 5.977 ( -3.895 -6.985 0.261) 8.001 6.163 ( 5.160 3.489 -3.634) 7.212 6.342 ( -3.351 2.958 0.124) 4.472 7.130 ( 3.808 -7.156 -8.019) 11.402 7.433 ( -2.533 2.247 -11.662) 12.143 7.785 ( 2.818 -3.189 -0.297) 4.266 7.934 ( -3.747 0.936 0.733) 3.932 8.019 ( -1.891 6.402 -2.491) 7.125 8.167 ( -0.851 -2.956 -2.232) 3.800 8.345 ( 6.071 -0.882 8.403) 10.404 8.504 ( -4.255 1.718 8.224) 9.417 8.747 ( -0.234 1.152 -0.259) 1.204 9.058 ( -5.722 -7.295 2.917) 9.719 9.173 ( 5.219 5.041 4.531) 8.554 9.317 ( -0.910 8.277 3.015) 8.856 9.512 ( 4.675 -6.686 1.062) 8.227 9.702 ( 2.383 -5.634 -7.162) 9.419 9.737 ( -0.673 0.647 -1.314) 1.612 9.917 ( -0.391 6.101 -0.871) 6.175 9.971 ( -7.197 -1.683 -4.620) 8.717 10.199 ( -3.594 6.109 -5.832) 9.178 10.578 ( 5.996 -1.838 -2.894) 6.907 11.029 ( -9.349 7.927 -9.413) 15.454 12.028 ( 4.856 -3.296 5.171) 7.822 12.165 ( 0.056 5.247 -5.106) 7.322 12.405 ( -2.475 0.823 13.296) 13.549 12.492 ( 1.232 -14.216 3.185) 14.621 13.253 ( 5.058 8.040 -0.265) 9.503 13.555 ( -9.781 11.432 -7.755) 16.926 14.739 ( 0.009 -4.599 -6.539) 7.995 15.746 ( 4.916 -3.506 0.467) 6.056 15.893 ( -1.910 -1.764 10.094) 10.424 16.068 ( 1.065 4.695 4.897) 6.867 17.146 ( 4.943 -16.583 7.903) 19.023 17.823 ( -2.512 7.944 -4.782) 9.606 20.515 ( -0.421 0.555 -0.813) 1.071 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -4.019 -10.011 6.654) 12.675 2.408 ( -4.442 -4.472 5.067) 8.087 2.447 ( 7.799 -4.918 5.503) 10.738 2.686 ( -1.588 -9.856 -1.189) 10.053 2.707 ( 2.351 -3.448 8.839) 9.775 2.923 ( -2.652 -7.441 -3.194) 8.521 3.023 ( -2.392 2.424 0.268) 3.416 3.095 ( 3.700 -4.935 2.555) 6.676 3.256 ( 9.550 -3.277 -5.541) 11.517 3.479 ( 2.930 -1.073 -0.907) 3.249 3.552 ( -2.054 7.654 -7.751) 11.085 3.665 ( -4.296 12.993 4.772) 14.493 3.790 ( -9.401 1.066 -2.218) 9.718 4.059 ( 5.499 0.753 -3.886) 6.775 4.319 ( -8.701 -1.316 -1.726) 8.967 4.491 ( 8.639 6.168 -2.751) 10.966 4.577 ( -0.147 -2.589 -1.518) 3.005 5.294 ( -2.577 0.217 -1.994) 3.266 5.388 ( 1.063 2.909 8.197) 8.763 5.440 ( 1.856 9.360 -3.478) 10.157 5.835 ( -2.678 -9.018 -0.798) 9.441 5.927 ( -3.364 0.869 1.125) 3.652 6.236 ( 6.136 3.031 -3.682) 7.772 6.331 ( -2.079 2.734 1.278) 3.664 7.038 ( 2.636 -4.202 -5.555) 7.448 7.275 ( -0.584 2.632 -12.300) 12.592 7.791 ( 2.824 -3.285 -0.386) 4.349 7.889 ( -3.087 1.502 -1.268) 3.660 8.026 ( -0.034 5.851 -1.442) 6.026 8.107 ( -1.660 -1.140 -1.814) 2.710 8.511 ( -2.911 -1.002 9.389) 9.881 8.546 ( 1.370 -1.687 4.908) 5.368 8.751 ( -0.117 1.318 -0.501) 1.415 9.004 ( -1.701 -7.834 4.806) 9.346 9.283 ( -2.583 2.198 2.948) 4.493 9.373 ( 4.237 1.099 0.422) 4.397 9.515 ( 4.272 -1.822 -7.794) 9.073 9.703 ( 5.170 3.019 3.632) 7.002 9.724 ( -1.251 0.516 -1.019) 1.694 9.835 ( -4.455 -0.906 -0.042) 4.546 9.964 ( -1.969 6.481 2.258) 7.140 10.154 ( -1.253 5.651 -2.939) 6.492 10.589 ( 1.436 1.813 -1.731) 2.889 10.890 ( -0.549 7.276 -11.289) 13.442 12.073 ( -3.233 0.616 -0.288) 3.303 12.132 ( 0.692 4.261 -2.676) 5.079 12.380 ( 1.091 -16.164 -0.745) 16.218 12.625 ( 4.593 -2.862 14.678) 15.644 13.404 ( -7.829 10.140 3.711) 13.338 13.522 ( 6.410 15.922 1.499) 17.229 14.521 ( -1.579 -9.357 -17.130) 19.583 15.749 ( -0.507 -3.867 2.818) 4.812 16.023 ( 1.521 0.195 7.167) 7.330 16.172 ( -0.138 2.076 4.690) 5.131 17.107 ( -4.296 -18.448 8.760) 20.869 17.811 ( 3.827 6.627 -8.423) 11.380 20.509 ( -0.016 0.957 -0.511) 1.085 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -8.997 -11.585 9.239) 17.335 2.349 ( -9.163 -6.903 7.550) 13.733 2.499 ( -3.081 -11.562 -7.156) 13.942 2.574 ( 6.379 -2.732 -0.602) 6.965 2.754 ( -6.603 -6.761 -1.309) 9.540 2.791 ( 4.631 -7.735 2.997) 9.501 3.011 ( 3.457 0.431 -3.424) 4.884 3.170 ( -0.227 0.363 2.585) 2.620 3.287 ( 2.948 0.530 -2.848) 4.133 3.413 ( 3.297 -2.623 -7.854) 8.912 3.526 ( -1.273 7.105 -2.217) 7.551 3.746 ( -7.163 8.214 9.611) 14.531 3.804 ( 2.514 12.767 0.985) 13.049 4.074 ( -1.526 -2.356 2.070) 3.488 4.191 ( -1.717 -6.191 -4.206) 7.679 4.523 ( 0.542 0.588 -4.432) 4.504 4.584 ( 4.398 3.273 -1.380) 5.653 5.259 ( 1.920 -2.154 -1.409) 3.211 5.435 ( -4.740 4.893 1.866) 7.063 5.558 ( 5.594 6.092 1.381) 8.386 5.794 ( 1.019 -2.150 1.899) 3.045 5.919 ( -1.468 1.510 2.282) 3.106 6.229 ( 2.086 1.901 -6.126) 6.745 6.365 ( -0.407 0.986 2.351) 2.582 7.004 ( 1.490 -1.104 -0.694) 1.981 7.144 ( 0.554 1.306 -11.052) 11.143 7.822 ( 3.483 -0.739 1.592) 3.900 7.839 ( -3.038 0.488 -2.027) 3.685 8.059 ( 1.319 4.459 -0.454) 4.672 8.094 ( 0.492 2.855 0.797) 3.005 8.488 ( -4.521 -4.292 2.884) 6.869 8.629 ( 2.519 -2.286 2.509) 4.227 8.731 ( -5.492 -1.747 2.502) 6.283 9.046 ( 5.342 -5.105 3.750) 8.286 9.244 ( -3.236 -2.933 0.684) 4.421 9.432 ( -4.059 4.540 -3.163) 6.863 9.450 ( 3.928 2.390 -3.058) 5.522 9.669 ( -3.168 -1.783 -0.589) 3.682 9.761 ( 3.812 -1.316 -2.857) 4.942 9.931 ( 3.349 3.137 6.375) 7.855 10.049 ( 3.710 8.228 3.332) 9.621 10.176 ( 0.615 8.138 -0.955) 8.217 10.607 ( -4.333 3.747 4.338) 7.185 10.832 ( 8.005 6.796 -12.458) 16.293 11.997 ( -7.335 -1.914 1.223) 7.679 12.124 ( 1.483 -5.463 -3.821) 6.829 12.308 ( 1.028 -4.998 2.226) 5.567 12.836 ( 8.248 2.139 5.287) 10.028 13.389 ( -8.040 11.542 1.717) 14.171 13.829 ( 5.165 12.311 14.331) 19.586 14.192 ( 1.084 -9.504 -21.790) 23.797 15.743 ( -2.044 -4.147 1.978) 5.029 16.075 ( -3.132 -2.805 2.954) 5.139 16.185 ( -0.280 -3.174 0.361) 3.206 17.093 ( -4.696 -13.015 15.294) 20.624 17.751 ( 2.946 3.502 -13.640) 14.387 20.515 ( 0.467 1.241 -0.142) 1.333 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -8.594 -15.353 0.092) 17.595 2.241 ( -3.575 -11.008 -2.533) 11.848 2.367 ( -7.558 -4.828 4.152) 9.883 2.503 ( -6.471 -3.494 -1.821) 7.577 2.702 ( -4.139 -1.346 4.315) 6.128 2.824 ( 7.088 -6.117 0.405) 9.371 3.025 ( 6.521 -1.845 -4.431) 8.097 3.114 ( -3.828 0.492 -4.528) 5.949 3.220 ( -1.397 3.024 -7.356) 8.075 3.448 ( 2.523 5.138 2.570) 6.274 3.601 ( 3.315 3.740 5.022) 7.085 3.843 ( 1.226 -0.255 0.043) 1.253 3.890 ( -0.244 7.346 0.701) 7.383 4.050 ( -8.413 -2.445 8.023) 11.880 4.151 ( 5.358 -0.886 0.826) 5.493 4.489 ( 2.607 0.861 -4.781) 5.513 4.614 ( 1.177 1.726 -1.888) 2.815 5.280 ( 5.647 -3.863 0.714) 6.879 5.411 ( -5.494 2.419 0.634) 6.037 5.653 ( 1.161 4.845 0.643) 5.023 5.816 ( -3.629 7.197 -0.295) 8.066 6.025 ( 9.894 -0.583 5.575) 11.372 6.191 ( 2.582 4.377 -6.414) 8.183 6.366 ( -3.031 -1.643 1.123) 3.626 7.022 ( -0.879 -0.165 -8.441) 8.489 7.044 ( 1.231 -0.255 5.132) 5.284 7.757 ( -1.368 -1.213 -3.320) 3.790 7.925 ( 1.479 4.225 4.913) 6.646 8.100 ( 1.984 2.295 0.208) 3.041 8.167 ( 1.633 4.620 2.963) 5.726 8.449 ( 0.498 -5.215 -0.343) 5.250 8.642 ( -3.362 -6.297 3.761) 8.069 8.687 ( -0.933 1.256 0.032) 1.565 9.048 ( -2.447 -4.295 -0.565) 4.975 9.245 ( 0.043 2.789 -3.622) 4.572 9.370 ( 3.206 -1.240 0.368) 3.457 9.478 ( -4.050 7.347 0.082) 8.390 9.633 ( -1.114 -2.945 1.121) 3.342 9.749 ( 3.019 -2.296 -3.420) 5.107 10.017 ( 2.342 3.258 -0.340) 4.027 10.202 ( 3.610 5.586 1.187) 6.756 10.254 ( 3.154 8.686 1.297) 9.331 10.642 ( -1.358 1.111 3.491) 3.907 10.873 ( 7.784 8.832 -4.405) 12.569 11.907 ( -10.837 -7.065 6.063) 14.287 12.023 ( 4.688 -11.397 -5.066) 13.324 12.376 ( 0.457 6.944 3.073) 7.607 12.944 ( 6.383 12.298 -10.935) 17.651 13.415 ( -6.395 -4.892 9.881) 12.746 13.940 ( 8.137 -0.778 -15.740) 17.736 14.136 ( 1.384 12.693 12.604) 17.941 15.668 ( -4.540 -7.433 -1.446) 8.829 16.017 ( -3.636 -5.481 2.530) 7.047 16.172 ( 1.159 -3.052 -0.677) 3.334 17.121 ( -10.651 -10.618 11.207) 18.756 17.626 ( 4.257 1.847 -11.665) 12.554 20.531 ( 0.694 1.199 0.023) 1.386 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 18.029 -15.185 6.211) 24.376 2.054 ( 16.603 -6.086 10.628) 20.631 2.589 ( -8.355 -1.215 0.934) 8.494 2.688 ( -0.712 -1.551 6.226) 6.456 2.742 ( -2.339 -4.576 -5.527) 7.547 2.915 ( 4.605 -2.113 3.692) 6.270 2.942 ( 3.142 -0.463 1.276) 3.423 3.100 ( -3.762 -6.940 -3.211) 8.522 3.213 ( -3.645 -3.700 -6.842) 8.590 3.414 ( 3.370 4.137 -0.833) 5.401 3.589 ( 4.559 4.295 -0.333) 6.272 3.654 ( 3.739 1.690 -1.516) 4.374 3.859 ( -0.458 9.456 8.014) 12.404 4.134 ( -9.837 -2.730 -5.668) 11.676 4.253 ( 8.385 6.730 -3.083) 11.185 4.507 ( -3.596 -5.894 -2.366) 7.299 4.623 ( -6.473 1.839 -3.473) 7.573 5.263 ( 4.457 1.790 0.951) 4.896 5.415 ( -3.944 0.650 1.872) 4.413 5.530 ( -6.336 7.002 -0.330) 9.449 5.921 ( -0.493 0.040 -0.686) 0.846 6.001 ( -3.081 0.414 2.147) 3.778 6.075 ( 2.430 1.313 -4.793) 5.532 6.389 ( -1.645 0.323 0.476) 1.742 6.985 ( 1.048 -4.517 -3.313) 5.699 7.307 ( -1.381 0.175 -13.147) 13.221 7.733 ( 1.315 -1.545 -0.441) 2.076 7.984 ( -3.274 1.089 -0.597) 3.502 8.060 ( -1.526 5.356 -1.993) 5.915 8.175 ( -4.743 3.266 -1.713) 6.009 8.353 ( 8.136 -2.272 8.031) 11.656 8.648 ( -2.349 0.942 5.054) 5.652 8.749 ( -0.550 -0.357 -0.469) 0.806 9.089 ( -0.865 -6.028 1.553) 6.285 9.190 ( 1.561 -1.418 5.525) 5.914 9.364 ( 5.120 -1.118 -5.990) 7.960 9.413 ( 0.267 6.138 1.343) 6.289 9.647 ( -0.307 -2.058 2.711) 3.418 9.712 ( 0.108 -0.686 -2.906) 2.988 9.992 ( -7.619 1.109 0.494) 7.715 10.072 ( -5.146 4.963 4.269) 8.327 10.227 ( -4.722 7.092 -4.550) 9.659 10.493 ( 5.035 1.162 1.070) 5.276 11.045 ( -10.068 5.233 -13.793) 17.860 11.965 ( 9.792 -1.648 1.360) 10.023 12.187 ( -1.170 0.281 -0.308) 1.242 12.361 ( -2.627 -7.127 -0.591) 7.619 12.628 ( -4.854 -1.934 8.716) 10.162 13.329 ( 6.420 10.930 13.077) 18.212 13.642 ( -7.767 4.560 -6.561) 11.143 14.574 ( -2.775 -1.112 -16.539) 16.807 15.683 ( 5.894 -4.219 3.489) 8.045 15.993 ( 1.259 -1.728 6.806) 7.134 16.122 ( 3.634 0.776 3.756) 5.283 17.144 ( 2.906 -10.025 14.737) 18.059 17.749 ( -0.303 0.922 -14.424) 14.456 20.520 ( -0.830 0.851 -0.388) 1.250 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 6.668 -14.587 6.397) 17.267 2.327 ( 12.363 -3.914 7.339) 14.901 2.507 ( -1.306 -4.333 -2.069) 4.976 2.539 ( -2.321 -14.544 -4.830) 15.500 2.738 ( -3.789 -6.483 3.665) 8.356 2.849 ( 0.525 -4.679 -5.425) 7.183 3.061 ( 3.324 4.478 0.482) 5.597 3.078 ( -0.498 -3.432 8.452) 9.136 3.133 ( 4.981 -0.288 -0.644) 5.030 3.419 ( -2.634 3.777 -5.111) 6.879 3.629 ( -0.825 8.784 -2.722) 9.234 3.733 ( 0.599 5.349 2.576) 5.967 3.891 ( -8.173 -1.424 -6.290) 10.411 4.044 ( 3.025 9.146 5.500) 11.093 4.269 ( -0.497 -7.625 -8.040) 11.091 4.449 ( 3.528 3.084 1.744) 4.999 4.571 ( -2.491 1.078 -0.512) 2.762 5.309 ( -1.777 2.614 -2.519) 4.042 5.406 ( 3.106 0.264 1.696) 3.549 5.540 ( -4.484 7.439 2.809) 9.129 5.790 ( -3.641 -7.326 -2.203) 8.472 6.027 ( -4.016 7.389 1.444) 8.533 6.138 ( 6.292 1.612 -1.534) 6.674 6.374 ( -1.224 -0.294 0.713) 1.447 6.967 ( 1.085 -2.016 1.746) 2.879 7.144 ( -0.361 1.062 -10.798) 10.856 7.749 ( 2.086 -2.068 1.885) 3.490 7.919 ( -3.731 1.582 -2.975) 5.027 8.063 ( -1.243 5.392 -0.679) 5.574 8.125 ( -3.020 3.794 -1.570) 5.097 8.521 ( 5.808 -2.554 2.287) 6.744 8.643 ( -4.405 -3.328 4.267) 6.978 8.731 ( 2.180 0.017 -1.644) 2.730 9.060 ( -3.962 -6.563 4.454) 8.866 9.232 ( 6.889 -4.635 0.198) 8.306 9.384 ( -5.336 1.575 0.478) 5.584 9.421 ( 3.702 3.625 -3.237) 6.110 9.681 ( 2.350 -0.346 -0.663) 2.466 9.738 ( 1.527 0.910 1.962) 2.648 9.926 ( -4.674 3.325 2.986) 6.467 10.094 ( -5.031 5.599 2.292) 7.869 10.189 ( -2.182 8.274 -2.626) 8.951 10.601 ( 3.114 5.924 4.670) 8.161 10.823 ( -5.732 4.965 -11.807) 14.033 12.038 ( 2.181 -1.330 -4.489) 5.165 12.141 ( 4.324 -1.226 -1.162) 4.642 12.288 ( -4.628 -7.847 3.478) 9.752 12.730 ( 0.315 0.757 9.831) 9.865 13.522 ( -3.737 7.467 -7.259) 11.064 13.692 ( 5.685 12.071 18.811) 23.063 14.258 ( -5.807 -6.171 -19.996) 21.717 15.735 ( 2.727 -5.235 2.081) 6.259 16.075 ( 2.176 -0.959 3.215) 3.998 16.191 ( 1.077 -2.356 0.890) 2.739 17.200 ( -4.087 -13.616 12.563) 18.972 17.645 ( 5.649 3.040 -11.380) 13.063 20.515 ( -0.488 1.250 -0.161) 1.352 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.447 -21.257 -7.171) 22.439 2.300 ( -2.854 -11.582 -12.184) 17.051 2.460 ( 4.487 -7.065 6.885) 10.837 2.565 ( 2.011 -1.249 7.484) 7.850 2.662 ( -0.223 -6.366 3.893) 7.465 2.847 ( -1.285 -3.006 4.119) 5.258 3.024 ( -8.236 2.703 0.520) 8.683 3.194 ( 1.080 0.014 1.742) 2.050 3.260 ( 9.103 3.671 2.776) 10.200 3.290 ( -4.461 -1.965 -5.566) 7.399 3.599 ( -7.019 7.836 -3.522) 11.094 3.731 ( 6.267 -2.922 -9.552) 11.792 3.874 ( 3.828 6.497 1.010) 7.608 4.098 ( 2.828 -8.440 -2.939) 9.374 4.190 ( -5.602 11.079 5.197) 13.459 4.502 ( -0.093 -3.563 0.248) 3.573 4.590 ( -0.323 6.783 2.973) 7.413 5.237 ( -3.336 -1.751 -1.113) 3.929 5.514 ( 7.330 2.655 -1.017) 7.862 5.544 ( -4.185 4.739 0.803) 6.373 5.771 ( 4.518 -0.611 3.283) 5.619 6.046 ( -6.211 7.565 2.479) 10.097 6.140 ( 0.754 0.281 -4.802) 4.869 6.389 ( 1.225 -0.102 1.018) 1.596 6.996 ( 0.148 -2.258 0.518) 2.322 7.069 ( -0.423 2.519 0.532) 2.609 7.776 ( 0.272 -2.163 -1.017) 2.406 7.883 ( 0.560 2.861 1.998) 3.534 8.081 ( -0.401 4.070 -0.641) 4.139 8.145 ( 0.555 6.262 1.678) 6.506 8.463 ( -2.057 -5.270 -4.774) 7.403 8.635 ( -0.488 -4.852 2.006) 5.273 8.788 ( 2.745 2.009 0.747) 3.483 9.028 ( -2.078 -6.602 5.289) 8.711 9.292 ( -7.046 -2.350 -0.194) 7.430 9.326 ( 10.766 0.005 -0.853) 10.800 9.423 ( -0.224 4.131 -5.899) 7.205 9.657 ( 1.253 -5.627 -1.924) 6.077 9.737 ( -4.008 2.655 0.879) 4.887 10.036 ( 1.218 5.430 6.570) 8.610 10.108 ( -0.926 6.326 0.775) 6.440 10.226 ( 0.791 10.977 -1.232) 11.074 10.641 ( 1.525 2.255 -12.891) 13.175 10.794 ( -1.918 9.551 11.487) 15.062 11.935 ( 1.810 -8.813 -5.711) 10.656 12.181 ( -9.330 -1.488 3.854) 10.203 12.282 ( 7.043 -0.545 4.116) 8.176 12.832 ( 0.141 3.781 1.480) 4.063 13.502 ( 4.009 11.651 -5.356) 13.435 13.874 ( -7.862 -8.493 -18.524) 21.842 14.081 ( 4.556 9.249 20.314) 22.780 15.724 ( 0.148 -6.084 -0.994) 6.166 16.096 ( 3.021 -8.757 -3.435) 9.879 16.125 ( -4.185 -1.859 0.225) 4.585 17.284 ( 3.795 -6.955 13.210) 15.404 17.550 ( -3.205 -0.714 -9.693) 10.234 20.521 ( -0.000 1.428 0.055) 1.429 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -1.173 -24.264 -9.867) 26.220 2.001 ( 1.029 -15.572 -16.526) 22.730 2.538 ( -3.183 -4.774 8.713) 10.433 2.653 ( -5.890 5.690 8.162) 11.562 2.742 ( 4.072 -2.766 6.726) 8.335 2.848 ( -1.781 -4.746 4.072) 6.502 2.934 ( -5.401 4.099 -4.217) 7.985 3.114 ( -6.055 0.020 -2.916) 6.721 3.197 ( -5.019 0.936 -3.486) 6.182 3.410 ( 9.171 -4.519 -4.135) 11.029 3.522 ( 8.187 -8.963 -2.969) 12.497 3.669 ( 1.384 5.099 -3.321) 6.240 4.018 ( 7.242 5.762 1.860) 9.439 4.147 ( 6.155 -1.449 3.875) 7.416 4.221 ( -8.952 11.200 1.352) 14.402 4.473 ( -2.966 -0.528 2.538) 3.939 4.655 ( -3.526 4.466 3.799) 6.842 5.215 ( 2.610 -2.814 1.181) 4.016 5.480 ( -3.805 1.422 -1.957) 4.509 5.630 ( 5.763 3.482 -0.997) 6.807 5.932 ( 8.844 5.247 3.732) 10.940 5.995 ( -10.401 -1.237 1.449) 10.574 6.131 ( 3.896 8.753 -2.908) 10.013 6.395 ( -1.390 -1.203 0.046) 1.839 6.950 ( -1.707 -1.719 -2.004) 3.144 7.157 ( -1.456 0.106 10.465) 10.566 7.733 ( -0.276 0.405 -1.634) 1.706 8.000 ( 2.468 4.103 5.641) 7.400 8.087 ( 1.569 1.455 -1.682) 2.721 8.244 ( 1.475 6.816 3.387) 7.753 8.342 ( -0.331 -5.171 -6.147) 8.040 8.639 ( 2.545 -4.747 2.393) 5.894 8.768 ( -6.754 0.266 -0.507) 6.778 9.048 ( 0.211 -1.875 1.022) 2.146 9.224 ( -0.013 -2.609 1.676) 3.101 9.314 ( -2.729 2.609 -7.598) 8.484 9.476 ( 10.728 2.592 -0.971) 11.080 9.632 ( 3.023 -4.891 -0.064) 5.750 9.700 ( -7.400 2.667 0.434) 7.878 10.081 ( -4.446 5.028 0.682) 6.746 10.199 ( 3.961 4.490 0.282) 5.994 10.317 ( 1.289 10.429 0.956) 10.552 10.530 ( 4.772 -0.448 -10.582) 11.617 11.006 ( -1.688 8.928 14.061) 16.742 11.844 ( 3.647 -10.868 -2.960) 11.840 12.074 ( -11.521 -7.031 5.783) 14.684 12.448 ( 4.551 9.157 3.913) 10.949 12.817 ( 1.360 9.629 -11.173) 14.813 13.506 ( -4.538 -11.302 -15.350) 19.595 13.651 ( 8.573 10.827 2.905) 14.112 14.427 ( 0.965 9.292 18.178) 20.438 15.617 ( -2.861 -9.349 -4.280) 10.672 15.990 ( 1.812 -8.479 -2.586) 9.048 16.105 ( 0.498 -2.352 -1.140) 2.661 17.280 ( -8.448 -5.235 -17.499) 20.125 17.506 ( 2.107 -2.372 19.075) 19.337 20.534 ( 0.301 1.274 0.102) 1.313 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.000 0.000 1.859) 1.859 2.297 ( 0.000 -0.000 1.859) 1.859 2.582 ( -0.000 -0.000 1.768) 1.768 2.700 ( -0.000 -0.000 8.954) 8.954 2.700 ( -0.000 -0.000 8.954) 8.954 2.790 ( -0.000 -0.000 11.690) 11.690 3.115 ( -0.000 0.000 10.650) 10.650 3.115 ( 0.000 0.000 10.650) 10.650 3.401 ( 0.000 0.000 -8.241) 8.241 3.456 ( 0.000 0.000 -8.299) 8.299 3.456 ( 0.000 -0.000 -8.299) 8.299 3.704 ( 0.000 0.000 -6.856) 6.856 3.953 ( 0.000 0.000 -6.471) 6.471 3.953 ( 0.000 -0.000 -6.471) 6.471 4.385 ( 0.000 0.000 -4.892) 4.892 4.385 ( 0.000 -0.000 -4.892) 4.892 4.613 ( -0.000 -0.000 4.861) 4.861 5.203 ( -0.000 -0.000 14.133) 14.133 5.330 ( 0.000 0.000 -5.223) 5.223 5.330 ( 0.000 0.000 -5.223) 5.223 5.945 ( 0.000 0.000 -5.047) 5.047 6.099 ( -0.000 -0.000 3.165) 3.165 6.191 ( 0.000 0.000 -1.139) 1.139 6.191 ( 0.000 -0.000 -1.139) 1.139 7.310 ( 0.000 0.000 -11.917) 11.917 7.310 ( 0.000 0.000 -11.917) 11.917 7.875 ( 0.000 0.000 -0.712) 0.712 7.904 ( 0.000 0.000 -0.225) 0.225 7.904 ( 0.000 0.000 -0.225) 0.225 8.210 ( 0.000 0.000 -5.652) 5.652 8.423 ( -0.000 0.000 9.813) 9.813 8.423 ( -0.000 -0.000 9.813) 9.813 8.734 ( 0.000 0.000 -0.119) 0.119 9.142 ( -0.000 0.000 7.554) 7.554 9.142 ( -0.000 -0.000 7.554) 7.554 9.153 ( -0.000 -0.000 0.011) 0.011 9.703 ( 0.000 0.000 2.450) 2.450 9.703 ( 0.000 -0.000 2.450) 2.450 9.837 ( 0.000 0.000 -4.366) 4.366 9.837 ( 0.000 0.000 -4.366) 4.366 9.870 ( 0.000 0.000 -18.586) 18.586 10.098 ( 0.000 0.000 -3.449) 3.449 10.755 ( -0.000 0.000 -6.656) 6.656 10.755 ( 0.000 0.000 -6.656) 6.656 12.095 ( 0.000 0.000 -2.986) 2.986 12.095 ( 0.000 0.000 -2.986) 2.986 12.382 ( -0.000 -0.000 21.249) 21.249 12.723 ( -0.000 -0.000 10.449) 10.449 13.249 ( 0.000 0.000 -7.732) 7.732 13.249 ( 0.000 -0.000 -7.732) 7.732 14.802 ( 0.000 0.000 -5.190) 5.190 15.866 ( 0.000 0.000 -7.641) 7.641 15.933 ( -0.000 -0.000 12.082) 12.082 15.933 ( -0.000 -0.000 12.082) 12.082 17.542 ( 0.000 0.000 1.580) 1.580 17.542 ( 0.000 -0.000 1.580) 1.580 20.506 ( 0.000 0.000 -1.088) 1.088 ======================= Grid point 231 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.251 -6.889 4.306) 8.750 2.355 ( -2.933 3.809 1.965) 5.193 2.577 ( -3.669 -2.373 4.865) 6.539 2.734 ( -3.817 -4.334 7.783) 9.691 2.828 ( -2.312 0.332 8.983) 9.281 2.968 ( 3.488 -1.448 6.024) 7.110 3.096 ( -4.507 -7.061 4.572) 9.543 3.159 ( -11.922 0.555 -2.172) 12.131 3.326 ( -6.016 8.700 -6.567) 12.450 3.390 ( 5.710 0.094 -6.350) 8.540 3.484 ( 12.364 -1.545 1.274) 12.526 3.559 ( -7.586 3.454 -2.194) 8.619 3.782 ( 3.612 -12.026 -7.462) 14.606 4.020 ( 7.596 13.103 -7.219) 16.778 4.266 ( -3.783 -8.068 0.196) 8.913 4.443 ( 5.749 7.437 -3.428) 10.006 4.623 ( -2.327 -1.280 0.078) 2.657 5.280 ( -0.015 0.432 -3.203) 3.232 5.316 ( 5.457 1.249 -1.639) 5.833 5.375 ( 0.798 2.034 9.104) 9.362 5.896 ( 1.424 -0.077 -2.289) 2.697 6.021 ( -5.352 -7.971 -0.986) 9.652 6.166 ( -3.706 4.913 -0.179) 6.157 6.285 ( 7.122 2.084 0.161) 7.423 7.102 ( -4.455 -1.076 -8.027) 9.243 7.231 ( 4.254 1.685 -11.858) 12.710 7.820 ( -4.072 -1.427 -1.087) 4.450 7.915 ( 4.316 -1.785 -2.053) 5.102 7.930 ( 2.437 4.880 -0.826) 5.517 8.131 ( -0.189 -0.795 -5.005) 5.072 8.493 ( -5.017 -3.325 9.623) 11.350 8.588 ( 2.581 1.102 8.546) 8.995 8.736 ( 0.248 0.285 -0.122) 0.397 9.148 ( 0.851 -3.228 3.287) 4.685 9.230 ( -2.449 5.368 5.881) 8.331 9.274 ( 3.847 -1.933 4.499) 6.227 9.575 ( -8.847 -1.835 -9.382) 13.025 9.699 ( -2.296 2.634 -2.644) 4.382 9.720 ( 0.270 -0.348 -1.013) 1.105 9.836 ( 5.609 -1.439 1.833) 6.073 9.900 ( 6.963 3.424 -0.206) 7.762 10.083 ( 2.330 0.853 -2.690) 3.659 10.576 ( -4.999 -1.580 -4.292) 6.776 10.792 ( 9.858 4.918 -10.412) 15.158 12.046 ( -1.084 -1.620 -3.117) 3.677 12.086 ( 2.735 2.137 -1.327) 3.715 12.543 ( -3.923 -2.523 5.578) 7.271 12.800 ( -11.204 -2.337 15.158) 18.993 13.151 ( 3.202 -3.438 0.269) 4.706 13.372 ( 13.716 10.339 -0.187) 17.177 14.634 ( -2.890 -2.196 -16.144) 16.548 15.797 ( -3.125 -2.260 1.812) 4.261 16.051 ( -1.632 1.373 8.760) 9.016 16.101 ( 1.960 -0.337 7.896) 8.142 17.378 ( -9.026 -8.419 4.453) 13.122 17.677 ( 5.203 6.030 -5.735) 9.814 20.498 ( 0.546 0.309 -0.783) 1.003 ======================= Grid point 232 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -9.196 -10.828 8.331) 16.469 2.322 ( -12.402 -2.048 8.615) 15.239 2.590 ( 0.464 1.990 -1.910) 2.797 2.715 ( -5.672 -9.088 -3.526) 11.278 2.757 ( -7.178 -3.740 -0.021) 8.093 2.924 ( -2.849 -5.441 1.857) 6.416 3.053 ( -5.299 5.928 -3.040) 8.512 3.161 ( 3.423 1.130 0.975) 3.734 3.260 ( -4.553 5.680 -1.919) 7.529 3.303 ( -0.979 0.921 -1.929) 2.352 3.520 ( 0.963 1.266 -2.812) 3.231 3.650 ( 3.967 0.221 3.331) 5.185 3.762 ( 11.206 -8.534 3.296) 14.466 4.109 ( 4.989 13.313 -5.899) 15.393 4.178 ( -4.450 -9.254 3.109) 10.728 4.520 ( 6.437 6.880 -3.953) 10.217 4.564 ( -3.016 -1.813 -1.556) 3.848 5.251 ( -1.006 0.879 -1.089) 1.723 5.412 ( 9.613 1.197 -0.061) 9.687 5.482 ( -0.008 3.180 4.322) 5.365 5.877 ( -3.386 -7.443 -3.401) 8.856 5.937 ( 4.879 1.918 0.897) 5.319 6.148 ( -4.371 3.895 0.052) 5.855 6.366 ( 3.954 0.850 0.293) 4.055 7.002 ( -2.037 0.502 -1.178) 2.406 7.137 ( 2.113 1.124 -10.568) 10.835 7.775 ( -2.815 0.109 2.006) 3.458 7.902 ( 3.053 -0.827 -4.841) 5.783 8.011 ( 4.463 3.147 0.817) 5.522 8.094 ( 3.659 0.631 -3.094) 4.833 8.490 ( -6.973 -4.177 6.543) 10.434 8.686 ( -0.627 -0.066 2.066) 2.160 8.745 ( 2.383 -1.034 1.208) 2.865 9.176 ( -4.238 -0.528 -0.969) 4.380 9.261 ( 0.203 -1.878 5.288) 5.615 9.338 ( -0.131 -0.160 1.434) 1.449 9.376 ( -4.065 -0.676 -3.870) 5.653 9.688 ( -0.978 -1.332 1.060) 1.963 9.715 ( -0.867 4.422 -0.823) 4.581 9.976 ( 8.434 5.958 2.726) 10.680 10.009 ( 8.590 0.467 -1.712) 8.772 10.097 ( 4.276 1.412 -0.982) 4.609 10.525 ( -1.348 0.181 3.608) 3.856 10.801 ( 9.366 5.507 -12.052) 16.227 11.984 ( -3.191 -3.233 0.502) 4.570 12.146 ( 5.873 3.743 -1.574) 7.140 12.434 ( -9.332 -6.056 -1.639) 11.244 12.815 ( -7.083 3.316 4.983) 9.273 13.278 ( 11.219 -3.473 7.266) 13.810 13.645 ( 6.901 10.455 9.722) 15.857 14.341 ( -2.530 -3.715 -19.977) 20.476 15.774 ( -4.098 -2.319 2.869) 5.514 16.122 ( -3.511 -0.378 6.438) 7.343 16.150 ( -1.825 -2.037 1.538) 3.137 17.350 ( -1.432 -10.635 10.578) 15.068 17.611 ( -3.490 7.438 -12.481) 14.942 20.504 ( 1.091 0.617 -0.316) 1.293 ======================= Grid point 239 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -2.516 -3.403 4.499) 6.177 2.395 ( 2.940 4.550 0.062) 5.417 2.633 ( -0.032 -6.536 5.238) 8.375 2.863 ( -4.278 -7.979 6.253) 11.003 2.896 ( 3.976 -5.617 8.854) 11.214 2.998 ( -2.656 -7.288 -2.445) 8.133 3.054 ( -3.352 -12.254 -3.322) 13.131 3.136 ( 2.924 0.451 -2.284) 3.738 3.252 ( 3.160 1.207 -7.038) 7.809 3.388 ( 8.630 0.778 2.017) 8.897 3.503 ( 1.792 -5.725 -2.792) 6.617 3.557 ( -3.933 11.042 6.072) 13.201 3.718 ( -15.029 3.531 -3.839) 15.908 3.904 ( 8.988 12.626 -7.105) 17.049 4.328 ( -6.356 -0.571 1.059) 6.469 4.376 ( 5.853 3.522 -1.913) 7.094 4.613 ( 0.032 -3.455 -0.938) 3.581 5.250 ( -0.279 1.354 -1.949) 2.389 5.287 ( 0.057 6.773 -1.736) 6.992 5.487 ( 0.316 -0.704 6.961) 7.004 5.871 ( -0.378 1.889 -1.086) 2.212 5.990 ( -1.729 -10.318 -1.017) 10.511 6.193 ( 3.081 -0.025 -0.681) 3.155 6.275 ( -1.364 7.068 0.800) 7.243 7.028 ( 0.696 -2.325 -3.153) 3.979 7.099 ( -0.303 2.479 -8.406) 8.769 7.823 ( 1.261 -1.778 -0.539) 2.246 7.859 ( -1.519 0.462 -2.229) 2.737 7.942 ( 0.262 4.218 1.483) 4.479 8.064 ( -0.330 0.663 -5.078) 5.131 8.636 ( -3.658 -2.964 4.523) 6.529 8.639 ( 2.672 -1.456 6.146) 6.858 8.737 ( 0.551 0.626 0.040) 0.835 9.161 ( -0.857 -4.514 3.926) 6.043 9.301 ( 0.677 1.412 3.701) 4.018 9.344 ( -0.762 3.729 1.738) 4.184 9.463 ( 1.706 -5.504 -8.296) 10.101 9.670 ( 2.306 1.087 -0.603) 2.620 9.713 ( -1.185 2.720 -1.633) 3.387 9.862 ( 0.048 0.558 4.258) 4.294 9.907 ( -1.871 4.244 1.654) 4.924 10.064 ( -0.135 2.738 -1.465) 3.109 10.551 ( 1.388 0.846 -1.206) 2.024 10.653 ( -0.995 6.507 -9.062) 11.201 12.036 ( -2.231 1.110 -1.873) 3.117 12.048 ( 2.019 3.092 -1.700) 4.065 12.575 ( -0.354 -9.676 1.485) 9.795 12.915 ( 3.705 -15.089 8.358) 17.643 13.226 ( -6.393 9.674 -3.052) 11.990 13.421 ( 3.700 17.586 12.688) 21.998 14.406 ( -0.420 -6.201 -16.672) 17.793 15.827 ( -0.058 -2.453 2.101) 3.230 16.135 ( 0.600 -2.742 6.091) 6.706 16.195 ( -0.367 2.050 3.456) 4.035 17.408 ( -2.835 -10.808 5.313) 12.373 17.615 ( 2.737 5.799 -7.163) 9.615 20.490 ( -0.004 0.733 -0.433) 0.852 ======================= Grid point 241 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -2.982 -4.752 3.813) 6.784 2.412 ( 0.784 0.711 -4.562) 4.684 2.592 ( -4.508 -8.346 -0.555) 9.502 2.714 ( -10.479 -16.768 3.782) 20.131 2.866 ( 0.987 -7.783 -3.663) 8.658 2.881 ( -11.373 -3.646 4.146) 12.642 3.029 ( 5.950 -4.574 0.044) 7.505 3.147 ( -2.447 2.699 -3.784) 5.253 3.214 ( -0.079 3.040 -0.584) 3.097 3.354 ( -1.134 -2.685 -7.086) 7.662 3.505 ( 4.820 0.066 3.184) 5.777 3.655 ( 2.926 7.673 0.609) 8.235 3.767 ( -1.045 7.441 10.743) 13.110 3.995 ( 7.888 7.840 -6.988) 13.134 4.276 ( -3.015 -4.577 3.459) 6.481 4.430 ( 2.681 4.761 -2.737) 6.111 4.572 ( -1.195 -2.271 -0.060) 2.567 5.254 ( 1.992 1.095 0.060) 2.274 5.356 ( 2.890 7.519 0.400) 8.065 5.525 ( 0.206 0.078 -0.633) 0.670 5.878 ( -6.163 -3.803 0.539) 7.262 5.913 ( 4.012 0.518 2.129) 4.571 6.170 ( -0.239 -1.472 -2.621) 3.015 6.347 ( 2.058 4.307 0.620) 4.814 7.025 ( -0.299 0.198 -4.435) 4.450 7.032 ( 0.595 0.287 3.725) 3.783 7.811 ( -0.821 -1.585 -3.074) 3.555 7.848 ( 0.731 1.632 3.296) 3.750 8.003 ( 2.102 3.483 -0.108) 4.069 8.049 ( 1.910 3.404 0.592) 3.948 8.588 ( -3.176 -5.835 0.671) 6.677 8.684 ( 1.174 -1.850 0.573) 2.265 8.743 ( -1.988 1.432 -0.318) 2.470 9.171 ( -0.810 -4.457 0.611) 4.571 9.300 ( -3.588 -4.311 1.564) 5.823 9.342 ( 0.821 0.422 -2.746) 2.897 9.396 ( -0.238 2.678 -0.420) 2.721 9.673 ( 0.741 -0.281 -0.915) 1.211 9.736 ( 1.922 1.711 -0.649) 2.654 9.919 ( -0.501 3.637 -0.918) 3.784 9.986 ( 6.038 6.639 3.196) 9.526 10.082 ( 1.638 3.762 0.021) 4.103 10.594 ( 1.437 3.172 -2.883) 4.520 10.639 ( 4.029 6.207 2.289) 7.746 12.014 ( -0.414 -0.453 0.855) 1.052 12.093 ( 2.823 4.455 -0.349) 5.286 12.463 ( -6.735 -11.519 0.297) 13.347 12.865 ( -3.320 -6.180 -3.828) 7.992 13.297 ( 4.630 9.356 5.216) 11.670 13.707 ( 9.165 14.685 -3.896) 17.743 14.192 ( -5.363 -8.912 1.669) 10.534 15.810 ( -1.892 -3.263 -0.030) 3.772 16.149 ( -2.204 -3.573 -0.558) 4.235 16.206 ( 0.009 -0.428 0.317) 0.533 17.411 ( -4.947 -7.267 8.361) 12.132 17.549 ( 1.702 1.756 -8.205) 8.562 20.497 ( 0.604 1.047 0.007) 1.209 ======================= Grid point 318 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.000 0.000 0.000) 0.000 2.356 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 0.000 0.000) 0.000 3.018 ( -0.000 -0.000 -0.000) 0.000 3.018 ( -0.000 -0.000 0.000) 0.000 3.049 ( -0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.169 ( -0.000 0.000 0.000) 0.000 3.521 ( -0.000 -0.000 -0.000) 0.000 3.521 ( -0.000 -0.000 0.000) 0.000 3.605 ( -0.000 -0.000 -0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 -0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.343 ( -0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.542 ( -0.000 0.000 0.000) 0.000 5.845 ( -0.000 0.000 0.000) 0.000 6.095 ( -0.000 -0.000 0.000) 0.000 6.193 ( -0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.024 ( -0.000 0.000 0.000) 0.000 7.830 ( -0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.949 ( -0.000 0.000 -0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 8.693 ( -0.000 0.000 0.000) 0.000 8.734 ( -0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.330 ( -0.000 0.000 0.000) 0.000 9.330 ( -0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.661 ( -0.000 0.000 -0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.040 ( 0.000 0.000 0.000) 0.000 10.538 ( -0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 -0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 13.130 ( -0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.338 ( -0.000 -0.000 -0.000) 0.000 14.331 ( -0.000 0.000 0.000) 0.000 15.859 ( 0.000 0.000 0.000) 0.000 16.203 ( 0.000 0.000 0.000) 0.000 16.203 ( 0.000 0.000 0.000) 0.000 17.519 ( -0.000 0.000 0.000) 0.000 17.519 ( -0.000 0.000 0.000) 0.000 20.481 ( -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 4794.739 4794.739 7697.312 0.000 -0.000 0.000 3/29184 20.0 449.913 449.913 680.926 0.000 -0.000 0.000 3/29184 30.0 141.233 141.233 208.873 0.000 -0.000 0.000 3/29184 40.0 70.732 70.732 102.962 0.000 -0.000 0.000 3/29184 50.0 43.896 43.896 63.173 0.000 -0.000 0.000 3/29184 60.0 30.706 30.706 43.824 0.000 -0.000 0.000 3/29184 70.0 23.163 23.163 32.846 0.000 -0.000 0.000 3/29184 80.0 18.399 18.399 25.954 0.000 -0.000 0.000 3/29184 90.0 15.171 15.171 21.307 0.000 -0.000 0.000 3/29184 100.0 12.868 12.868 18.003 0.000 -0.000 0.000 3/29184 110.0 11.155 11.155 15.554 0.000 -0.000 0.000 3/29184 120.0 9.840 9.840 13.678 0.000 -0.000 0.000 3/29184 130.0 8.801 8.801 12.201 0.000 -0.000 0.000 3/29184 140.0 7.963 7.963 11.012 0.000 -0.000 0.000 3/29184 150.0 7.273 7.273 10.037 0.000 -0.000 0.000 3/29184 160.0 6.696 6.696 9.223 0.000 -0.000 0.000 3/29184 170.0 6.206 6.206 8.534 0.000 -0.000 0.000 3/29184 180.0 5.785 5.785 7.943 0.000 -0.000 0.000 3/29184 190.0 5.420 5.420 7.431 0.000 -0.000 0.000 3/29184 200.0 5.100 5.100 6.984 0.000 -0.000 0.000 3/29184 210.0 4.817 4.817 6.589 0.000 -0.000 0.000 3/29184 220.0 4.565 4.565 6.238 0.000 -0.000 0.000 3/29184 230.0 4.338 4.338 5.924 0.000 -0.000 0.000 3/29184 240.0 4.135 4.135 5.642 0.000 -0.000 0.000 3/29184 250.0 3.950 3.950 5.386 0.000 -0.000 0.000 3/29184 260.0 3.781 3.781 5.153 0.000 -0.000 0.000 3/29184 270.0 3.627 3.627 4.940 0.000 -0.000 0.000 3/29184 280.0 3.485 3.485 4.744 0.000 -0.000 0.000 3/29184 290.0 3.355 3.355 4.564 0.000 -0.000 0.000 3/29184 300.0 3.234 3.234 4.398 0.000 -0.000 0.000 3/29184 310.0 3.121 3.121 4.244 0.000 -0.000 0.000 3/29184 320.0 3.017 3.017 4.100 0.000 -0.000 0.000 3/29184 330.0 2.919 2.919 3.966 0.000 -0.000 0.000 3/29184 340.0 2.828 2.828 3.841 0.000 -0.000 0.000 3/29184 350.0 2.742 2.742 3.724 0.000 -0.000 0.000 3/29184 360.0 2.662 2.662 3.614 0.000 -0.000 0.000 3/29184 370.0 2.586 2.586 3.510 0.000 -0.000 0.000 3/29184 380.0 2.515 2.515 3.412 0.000 -0.000 0.000 3/29184 390.0 2.447 2.447 3.320 0.000 -0.000 0.000 3/29184 400.0 2.383 2.383 3.233 0.000 -0.000 0.000 3/29184 410.0 2.323 2.323 3.150 0.000 -0.000 0.000 3/29184 420.0 2.265 2.265 3.071 0.000 -0.000 0.000 3/29184 430.0 2.210 2.210 2.997 0.000 -0.000 0.000 3/29184 440.0 2.158 2.158 2.926 0.000 -0.000 0.000 3/29184 450.0 2.109 2.109 2.858 0.000 -0.000 0.000 3/29184 460.0 2.061 2.061 2.794 0.000 -0.000 0.000 3/29184 470.0 2.016 2.016 2.732 0.000 -0.000 0.000 3/29184 480.0 1.973 1.973 2.673 0.000 -0.000 0.000 3/29184 490.0 1.931 1.931 2.617 0.000 -0.000 0.000 3/29184 500.0 1.892 1.892 2.563 0.000 -0.000 0.000 3/29184 510.0 1.853 1.853 2.511 0.000 -0.000 0.000 3/29184 520.0 1.817 1.817 2.461 0.000 -0.000 0.000 3/29184 530.0 1.782 1.782 2.413 0.000 -0.000 0.000 3/29184 540.0 1.748 1.748 2.367 0.000 -0.000 0.000 3/29184 550.0 1.715 1.715 2.323 0.000 -0.000 0.000 3/29184 560.0 1.684 1.684 2.280 0.000 -0.000 0.000 3/29184 570.0 1.654 1.654 2.239 0.000 -0.000 0.000 3/29184 580.0 1.625 1.625 2.200 0.000 -0.000 0.000 3/29184 590.0 1.597 1.597 2.162 0.000 -0.000 0.000 3/29184 600.0 1.570 1.570 2.125 0.000 -0.000 0.000 3/29184 610.0 1.543 1.543 2.089 0.000 -0.000 0.000 3/29184 620.0 1.518 1.518 2.055 0.000 -0.000 0.000 3/29184 630.0 1.494 1.494 2.022 0.000 -0.000 0.000 3/29184 640.0 1.470 1.470 1.989 0.000 -0.000 0.000 3/29184 650.0 1.447 1.447 1.958 0.000 -0.000 0.000 3/29184 660.0 1.425 1.425 1.928 0.000 -0.000 0.000 3/29184 670.0 1.403 1.403 1.899 0.000 -0.000 0.000 3/29184 680.0 1.382 1.382 1.870 0.000 -0.000 0.000 3/29184 690.0 1.362 1.362 1.843 0.000 -0.000 0.000 3/29184 700.0 1.342 1.342 1.816 0.000 -0.000 0.000 3/29184 710.0 1.323 1.323 1.790 0.000 -0.000 0.000 3/29184 720.0 1.304 1.304 1.765 0.000 -0.000 0.000 3/29184 730.0 1.286 1.286 1.740 0.000 -0.000 0.000 3/29184 740.0 1.269 1.269 1.716 0.000 -0.000 0.000 3/29184 750.0 1.251 1.251 1.693 0.000 -0.000 0.000 3/29184 760.0 1.235 1.235 1.671 0.000 -0.000 0.000 3/29184 770.0 1.219 1.219 1.649 0.000 -0.000 0.000 3/29184 780.0 1.203 1.203 1.627 0.000 -0.000 0.000 3/29184 790.0 1.187 1.187 1.606 0.000 -0.000 0.000 3/29184 800.0 1.172 1.172 1.586 0.000 -0.000 0.000 3/29184 810.0 1.158 1.158 1.566 0.000 -0.000 0.000 3/29184 820.0 1.143 1.143 1.547 0.000 -0.000 0.000 3/29184 830.0 1.130 1.130 1.528 0.000 -0.000 0.000 3/29184 840.0 1.116 1.116 1.510 0.000 -0.000 0.000 3/29184 850.0 1.103 1.103 1.492 0.000 -0.000 0.000 3/29184 860.0 1.090 1.090 1.474 0.000 -0.000 0.000 3/29184 870.0 1.077 1.077 1.457 0.000 -0.000 0.000 3/29184 880.0 1.065 1.065 1.440 0.000 -0.000 0.000 3/29184 890.0 1.053 1.053 1.424 0.000 -0.000 0.000 3/29184 900.0 1.041 1.041 1.408 0.000 -0.000 0.000 3/29184 910.0 1.029 1.029 1.392 0.000 -0.000 0.000 3/29184 920.0 1.018 1.018 1.377 0.000 -0.000 0.000 3/29184 930.0 1.007 1.007 1.362 0.000 -0.000 0.000 3/29184 940.0 0.996 0.996 1.347 0.000 -0.000 0.000 3/29184 950.0 0.986 0.986 1.333 0.000 -0.000 0.000 3/29184 960.0 0.975 0.975 1.319 0.000 -0.000 0.000 3/29184 970.0 0.965 0.965 1.305 0.000 -0.000 0.000 3/29184 980.0 0.955 0.955 1.292 0.000 -0.000 0.000 3/29184 990.0 0.946 0.946 1.279 0.000 -0.000 0.000 3/29184 1000.0 0.936 0.936 1.266 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 04:52:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|