Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:12:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 41 11 1907 893 138 Max 69 42 12 1909 919 141 Sum 2451 1485 427 68689 32641 5055 bravais-lattice index = 14 lattice parameter (alat) = 10.8680 a.u. unit-cell volume = 954.6427 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.868040 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.438419 celldm(5)= -0.438419 celldm(6)= -0.123163 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.123163 0.992387 0.000000 ) a(3) = ( -0.438419 -0.496193 0.749387 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.124107 0.667212 ) b(2) = ( 0.000000 1.007672 0.667212 ) b(3) = ( 0.000000 0.000000 1.334424 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.4384187 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4961933 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.4384187 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4961933 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0000000 0.0000000 0.0180327), wk = 0.0033670 k( 3) = ( 0.0000000 0.0000000 0.0360655), wk = 0.0033670 k( 4) = ( 0.0000000 0.0000000 0.0540982), wk = 0.0033670 k( 5) = ( 0.0000000 0.0000000 0.0721310), wk = 0.0033670 k( 6) = ( 0.0000000 0.0000000 0.0901638), wk = 0.0033670 k( 7) = ( 0.0000000 0.0000000 0.1081965), wk = 0.0033670 k( 8) = ( 0.0000000 0.0000000 0.1262292), wk = 0.0033670 k( 9) = ( 0.0000000 0.0000000 0.1442620), wk = 0.0033670 k( 10) = ( 0.0000000 0.0000000 0.1622947), wk = 0.0033670 k( 11) = ( 0.0000000 0.0000000 0.1803275), wk = 0.0033670 k( 12) = ( 0.0000000 0.0000000 0.1983603), wk = 0.0033670 k( 13) = ( 0.0000000 0.0000000 0.2163930), wk = 0.0033670 k( 14) = ( 0.0000000 0.0000000 0.2344258), wk = 0.0033670 k( 15) = ( 0.0000000 0.0000000 0.2524585), wk = 0.0033670 k( 16) = ( 0.0000000 0.0000000 0.2704912), wk = 0.0033670 k( 17) = ( 0.0000000 0.0000000 0.2885240), wk = 0.0033670 k( 18) = ( 0.0000000 0.0000000 0.3065568), wk = 0.0033670 k( 19) = ( 0.0000000 0.0000000 0.3245895), wk = 0.0033670 k( 20) = ( 0.0000000 0.0000000 0.3426223), wk = 0.0033670 k( 21) = ( 0.0000000 0.0000000 0.3606550), wk = 0.0033670 k( 22) = ( 0.0000000 0.0000000 0.3786877), wk = 0.0033670 k( 23) = ( 0.0000000 0.0000000 0.3967205), wk = 0.0033670 k( 24) = ( 0.0000000 0.0000000 0.4147533), wk = 0.0033670 k( 25) = ( 0.0000000 0.0000000 0.4327860), wk = 0.0033670 k( 26) = ( 0.0000000 0.0000000 0.4508188), wk = 0.0033670 k( 27) = ( 0.0000000 0.0000000 0.4688515), wk = 0.0033670 k( 28) = ( 0.0000000 0.0000000 0.4868842), wk = 0.0033670 k( 29) = ( 0.0000000 0.0000000 0.5049170), wk = 0.0033670 k( 30) = ( 0.0000000 0.0000000 0.5229498), wk = 0.0033670 k( 31) = ( 0.0000000 0.0000000 0.5409825), wk = 0.0033670 k( 32) = ( 0.0000000 0.0000000 0.5590153), wk = 0.0033670 k( 33) = ( 0.0000000 0.0000000 0.5770480), wk = 0.0033670 k( 34) = ( 0.0000000 0.0000000 0.5950808), wk = 0.0033670 k( 35) = ( 0.0000000 0.0000000 0.6131135), wk = 0.0033670 k( 36) = ( 0.0000000 0.0000000 0.6311463), wk = 0.0033670 k( 37) = ( 0.0000000 0.0000000 0.6491790), wk = 0.0033670 k( 38) = ( 0.0000000 0.0000000 0.6672118), wk = 0.0033670 k( 39) = ( 0.0000000 0.0000000 0.6672118), wk = 0.0033670 k( 40) = ( -0.0133430 0.0117894 0.6672118), wk = 0.0033670 k( 41) = ( -0.0266859 0.0235787 0.6672118), wk = 0.0033670 k( 42) = ( -0.0400289 0.0353681 0.6672118), wk = 0.0033670 k( 43) = ( -0.0533719 0.0471575 0.6672118), wk = 0.0033670 k( 44) = ( -0.0667148 0.0589468 0.6672118), wk = 0.0033670 k( 45) = ( -0.0800578 0.0707362 0.6672118), wk = 0.0033670 k( 46) = ( -0.0934008 0.0825256 0.6672118), wk = 0.0033670 k( 47) = ( -0.1067437 0.0943149 0.6672118), wk = 0.0033670 k( 48) = ( -0.1200867 0.1061043 0.6672118), wk = 0.0033670 k( 49) = ( -0.1334296 0.1178937 0.6672118), wk = 0.0033670 k( 50) = ( -0.1467726 0.1296830 0.6672118), wk = 0.0033670 k( 51) = ( -0.1601156 0.1414724 0.6672118), wk = 0.0033670 k( 52) = ( -0.1734585 0.1532618 0.6672118), wk = 0.0033670 k( 53) = ( -0.1868015 0.1650512 0.6672118), wk = 0.0033670 k( 54) = ( -0.2001445 0.1768405 0.6672118), wk = 0.0033670 k( 55) = ( -0.2134874 0.1886299 0.6672118), wk = 0.0033670 k( 56) = ( -0.2268304 0.2004193 0.6672118), wk = 0.0033670 k( 57) = ( -0.2401734 0.2122086 0.6672118), wk = 0.0033670 k( 58) = ( -0.2535163 0.2239980 0.6672118), wk = 0.0033670 k( 59) = ( -0.2668593 0.2357874 0.6672118), wk = 0.0033670 k( 60) = ( -0.2802022 0.2475767 0.6672118), wk = 0.0033670 k( 61) = ( -0.2935452 0.2593661 0.6672118), wk = 0.0033670 k( 62) = ( -0.3068882 0.2711555 0.6672118), wk = 0.0033670 k( 63) = ( -0.3202311 0.2829448 0.6672118), wk = 0.0033670 k( 64) = ( -0.3202311 0.2829448 0.6672118), wk = 0.0033670 k( 65) = ( -0.3292196 0.2908867 0.6552174), wk = 0.0033670 k( 66) = ( -0.3382080 0.2988286 0.6432230), wk = 0.0033670 k( 67) = ( -0.3471965 0.3067704 0.6312286), wk = 0.0033670 k( 68) = ( -0.3561849 0.3147123 0.6192342), wk = 0.0033670 k( 69) = ( -0.3651734 0.3226542 0.6072398), wk = 0.0033670 k( 70) = ( -0.3741618 0.3305961 0.5952454), wk = 0.0033670 k( 71) = ( -0.3831502 0.3385379 0.5832510), wk = 0.0033670 k( 72) = ( -0.3921387 0.3464798 0.5712566), wk = 0.0033670 k( 73) = ( -0.4011271 0.3544217 0.5592622), wk = 0.0033670 k( 74) = ( -0.4101156 0.3623635 0.5472679), wk = 0.0033670 k( 75) = ( -0.4101156 0.3623635 0.5472679), wk = 0.0033670 k( 76) = ( -0.4005780 0.3539365 0.5345407), wk = 0.0033670 k( 77) = ( -0.3910404 0.3455094 0.5218135), wk = 0.0033670 k( 78) = ( -0.3815029 0.3370824 0.5090864), wk = 0.0033670 k( 79) = ( -0.3719653 0.3286553 0.4963592), wk = 0.0033670 k( 80) = ( -0.3624277 0.3202282 0.4836321), wk = 0.0033670 k( 81) = ( -0.3528901 0.3118012 0.4709049), wk = 0.0033670 k( 82) = ( -0.3433526 0.3033741 0.4581777), wk = 0.0033670 k( 83) = ( -0.3338150 0.2949471 0.4454506), wk = 0.0033670 k( 84) = ( -0.3242774 0.2865200 0.4327234), wk = 0.0033670 k( 85) = ( -0.3147398 0.2780929 0.4199963), wk = 0.0033670 k( 86) = ( -0.3052023 0.2696659 0.4072691), wk = 0.0033670 k( 87) = ( -0.2956647 0.2612388 0.3945419), wk = 0.0033670 k( 88) = ( -0.2861271 0.2528118 0.3818148), wk = 0.0033670 k( 89) = ( -0.2765896 0.2443847 0.3690876), wk = 0.0033670 k( 90) = ( -0.2670520 0.2359577 0.3563605), wk = 0.0033670 k( 91) = ( -0.2575144 0.2275306 0.3436333), wk = 0.0033670 k( 92) = ( -0.2479768 0.2191035 0.3309061), wk = 0.0033670 k( 93) = ( -0.2384393 0.2106765 0.3181790), wk = 0.0033670 k( 94) = ( -0.2289017 0.2022494 0.3054518), wk = 0.0033670 k( 95) = ( -0.2193641 0.1938224 0.2927247), wk = 0.0033670 k( 96) = ( -0.2098266 0.1853953 0.2799975), wk = 0.0033670 k( 97) = ( -0.2002890 0.1769682 0.2672704), wk = 0.0033670 k( 98) = ( -0.1907514 0.1685412 0.2545432), wk = 0.0033670 k( 99) = ( -0.1812139 0.1601141 0.2418160), wk = 0.0033670 k( 100) = ( -0.1716763 0.1516871 0.2290889), wk = 0.0033670 k( 101) = ( -0.1621387 0.1432600 0.2163617), wk = 0.0033670 k( 102) = ( -0.1526011 0.1348329 0.2036345), wk = 0.0033670 k( 103) = ( -0.1430636 0.1264059 0.1909074), wk = 0.0033670 k( 104) = ( -0.1335260 0.1179788 0.1781802), wk = 0.0033670 k( 105) = ( -0.1239884 0.1095518 0.1654531), wk = 0.0033670 k( 106) = ( -0.1144509 0.1011247 0.1527259), wk = 0.0033670 k( 107) = ( -0.1049133 0.0926976 0.1399987), wk = 0.0033670 k( 108) = ( -0.0953757 0.0842706 0.1272716), wk = 0.0033670 k( 109) = ( -0.0858381 0.0758435 0.1145444), wk = 0.0033670 k( 110) = ( -0.0763006 0.0674165 0.1018173), wk = 0.0033670 k( 111) = ( -0.0667630 0.0589894 0.0890901), wk = 0.0033670 k( 112) = ( -0.0572254 0.0505624 0.0763630), wk = 0.0033670 k( 113) = ( -0.0476879 0.0421353 0.0636358), wk = 0.0033670 k( 114) = ( -0.0381503 0.0337082 0.0509086), wk = 0.0033670 k( 115) = ( -0.0286127 0.0252812 0.0381815), wk = 0.0033670 k( 116) = ( -0.0190751 0.0168541 0.0254543), wk = 0.0033670 k( 117) = ( -0.0095376 0.0084271 0.0127272), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 120) = ( 0.0119048 0.0134736 -0.0000000), wk = 0.0033670 k( 121) = ( 0.0238095 0.0269471 -0.0000000), wk = 0.0033670 k( 122) = ( 0.0357143 0.0404207 -0.0000000), wk = 0.0033670 k( 123) = ( 0.0476191 0.0538943 -0.0000000), wk = 0.0033670 k( 124) = ( 0.0595238 0.0673678 -0.0000000), wk = 0.0033670 k( 125) = ( 0.0714286 0.0808414 -0.0000000), wk = 0.0033670 k( 126) = ( 0.0833333 0.0943149 -0.0000000), wk = 0.0033670 k( 127) = ( 0.0952381 0.1077885 -0.0000000), wk = 0.0033670 k( 128) = ( 0.1071429 0.1212621 -0.0000000), wk = 0.0033670 k( 129) = ( 0.1190476 0.1347356 -0.0000000), wk = 0.0033670 k( 130) = ( 0.1309524 0.1482092 -0.0000000), wk = 0.0033670 k( 131) = ( 0.1428571 0.1616828 -0.0000000), wk = 0.0033670 k( 132) = ( 0.1547619 0.1751563 -0.0000000), wk = 0.0033670 k( 133) = ( 0.1666667 0.1886299 -0.0000000), wk = 0.0033670 k( 134) = ( 0.1785714 0.2021035 -0.0000000), wk = 0.0033670 k( 135) = ( 0.1904762 0.2155770 -0.0000000), wk = 0.0033670 k( 136) = ( 0.2023810 0.2290506 -0.0000000), wk = 0.0033670 k( 137) = ( 0.2142857 0.2425241 -0.0000000), wk = 0.0033670 k( 138) = ( 0.2261905 0.2559977 -0.0000000), wk = 0.0033670 k( 139) = ( 0.2380952 0.2694713 -0.0000000), wk = 0.0033670 k( 140) = ( 0.2500000 0.2829448 -0.0000000), wk = 0.0033670 k( 141) = ( 0.2619048 0.2964184 -0.0000000), wk = 0.0033670 k( 142) = ( 0.2738095 0.3098920 -0.0000000), wk = 0.0033670 k( 143) = ( 0.2857143 0.3233655 -0.0000000), wk = 0.0033670 k( 144) = ( 0.2976190 0.3368391 -0.0000000), wk = 0.0033670 k( 145) = ( 0.3095238 0.3503127 -0.0000000), wk = 0.0033670 k( 146) = ( 0.3214286 0.3637862 -0.0000000), wk = 0.0033670 k( 147) = ( 0.3333333 0.3772598 -0.0000000), wk = 0.0033670 k( 148) = ( 0.3452381 0.3907334 -0.0000000), wk = 0.0033670 k( 149) = ( 0.3571429 0.4042069 -0.0000000), wk = 0.0033670 k( 150) = ( 0.3690476 0.4176805 -0.0000000), wk = 0.0033670 k( 151) = ( 0.3809524 0.4311540 -0.0000000), wk = 0.0033670 k( 152) = ( 0.3928571 0.4446276 -0.0000000), wk = 0.0033670 k( 153) = ( 0.4047619 0.4581012 -0.0000000), wk = 0.0033670 k( 154) = ( 0.4166667 0.4715747 -0.0000000), wk = 0.0033670 k( 155) = ( 0.4285714 0.4850483 -0.0000000), wk = 0.0033670 k( 156) = ( 0.4404762 0.4985219 -0.0000000), wk = 0.0033670 k( 157) = ( 0.4523810 0.5119954 -0.0000000), wk = 0.0033670 k( 158) = ( 0.4642857 0.5254690 -0.0000000), wk = 0.0033670 k( 159) = ( 0.4761905 0.5389426 -0.0000000), wk = 0.0033670 k( 160) = ( 0.4880952 0.5524161 -0.0000000), wk = 0.0033670 k( 161) = ( 0.5000000 0.5658897 -0.0000000), wk = 0.0033670 k( 162) = ( 0.5000000 0.5658897 -0.0000000), wk = 0.0033670 k( 163) = ( 0.4910116 0.5738315 0.0119944), wk = 0.0033670 k( 164) = ( 0.4820231 0.5817734 0.0239888), wk = 0.0033670 k( 165) = ( 0.4730347 0.5897153 0.0359832), wk = 0.0033670 k( 166) = ( 0.4640462 0.5976572 0.0479776), wk = 0.0033670 k( 167) = ( 0.4550578 0.6055990 0.0599720), wk = 0.0033670 k( 168) = ( 0.4460693 0.6135409 0.0719663), wk = 0.0033670 k( 169) = ( 0.4370809 0.6214828 0.0839607), wk = 0.0033670 k( 170) = ( 0.4280925 0.6294246 0.0959551), wk = 0.0033670 k( 171) = ( 0.4191040 0.6373665 0.1079495), wk = 0.0033670 k( 172) = ( 0.4101156 0.6453084 0.1199439), wk = 0.0033670 k( 173) = ( 0.4101156 0.6453084 0.1199439), wk = 0.0033670 k( 174) = ( 0.3949261 0.6400687 0.1278573), wk = 0.0033670 k( 175) = ( 0.3797366 0.6348289 0.1357707), wk = 0.0033670 k( 176) = ( 0.3645472 0.6295892 0.1436841), wk = 0.0033670 k( 177) = ( 0.3493577 0.6243495 0.1515975), wk = 0.0033670 k( 178) = ( 0.3341682 0.6191098 0.1595109), wk = 0.0033670 k( 179) = ( 0.3189788 0.6138701 0.1674243), wk = 0.0033670 k( 180) = ( 0.3037893 0.6086303 0.1753377), wk = 0.0033670 k( 181) = ( 0.2885998 0.6033906 0.1832512), wk = 0.0033670 k( 182) = ( 0.2734104 0.5981509 0.1911646), wk = 0.0033670 k( 183) = ( 0.2582209 0.5929112 0.1990780), wk = 0.0033670 k( 184) = ( 0.2430315 0.5876715 0.2069914), wk = 0.0033670 k( 185) = ( 0.2278420 0.5824317 0.2149048), wk = 0.0033670 k( 186) = ( 0.2126525 0.5771920 0.2228182), wk = 0.0033670 k( 187) = ( 0.1974631 0.5719523 0.2307316), wk = 0.0033670 k( 188) = ( 0.1822736 0.5667126 0.2386450), wk = 0.0033670 k( 189) = ( 0.1670841 0.5614729 0.2465584), wk = 0.0033670 k( 190) = ( 0.1518946 0.5562331 0.2544718), wk = 0.0033670 k( 191) = ( 0.1367052 0.5509934 0.2623852), wk = 0.0033670 k( 192) = ( 0.1215157 0.5457537 0.2702986), wk = 0.0033670 k( 193) = ( 0.1063263 0.5405140 0.2782120), wk = 0.0033670 k( 194) = ( 0.0911368 0.5352743 0.2861254), wk = 0.0033670 k( 195) = ( 0.0759473 0.5300346 0.2940388), wk = 0.0033670 k( 196) = ( 0.0607579 0.5247948 0.3019523), wk = 0.0033670 k( 197) = ( 0.0455684 0.5195551 0.3098657), wk = 0.0033670 k( 198) = ( 0.0303789 0.5143154 0.3177791), wk = 0.0033670 k( 199) = ( 0.0151895 0.5090757 0.3256925), wk = 0.0033670 k( 200) = ( 0.0000000 0.5038360 0.3336059), wk = 0.0033670 k( 201) = ( 0.0000000 0.5038360 0.3336059), wk = 0.0033670 k( 202) = ( 0.0096154 0.4953401 0.3464369), wk = 0.0033670 k( 203) = ( 0.0192308 0.4868443 0.3592679), wk = 0.0033670 k( 204) = ( 0.0288462 0.4783485 0.3720989), wk = 0.0033670 k( 205) = ( 0.0384615 0.4698527 0.3849299), wk = 0.0033670 k( 206) = ( 0.0480769 0.4613569 0.3977609), wk = 0.0033670 k( 207) = ( 0.0576923 0.4528611 0.4105919), wk = 0.0033670 k( 208) = ( 0.0673077 0.4443653 0.4234228), wk = 0.0033670 k( 209) = ( 0.0769231 0.4358695 0.4362538), wk = 0.0033670 k( 210) = ( 0.0865385 0.4273736 0.4490848), wk = 0.0033670 k( 211) = ( 0.0961538 0.4188778 0.4619158), wk = 0.0033670 k( 212) = ( 0.1057692 0.4103820 0.4747468), wk = 0.0033670 k( 213) = ( 0.1153846 0.4018862 0.4875778), wk = 0.0033670 k( 214) = ( 0.1250000 0.3933904 0.5004088), wk = 0.0033670 k( 215) = ( 0.1346154 0.3848946 0.5132398), wk = 0.0033670 k( 216) = ( 0.1442308 0.3763988 0.5260708), wk = 0.0033670 k( 217) = ( 0.1538461 0.3679030 0.5389018), wk = 0.0033670 k( 218) = ( 0.1634615 0.3594071 0.5517328), wk = 0.0033670 k( 219) = ( 0.1730769 0.3509113 0.5645638), wk = 0.0033670 k( 220) = ( 0.1826923 0.3424155 0.5773948), wk = 0.0033670 k( 221) = ( 0.1923077 0.3339197 0.5902258), wk = 0.0033670 k( 222) = ( 0.2019231 0.3254239 0.6030568), wk = 0.0033670 k( 223) = ( 0.2115385 0.3169281 0.6158878), wk = 0.0033670 k( 224) = ( 0.2211539 0.3084323 0.6287188), wk = 0.0033670 k( 225) = ( 0.2307692 0.2999365 0.6415498), wk = 0.0033670 k( 226) = ( 0.2403846 0.2914406 0.6543808), wk = 0.0033670 k( 227) = ( 0.2500000 0.2829448 0.6672118), wk = 0.0033670 k( 228) = ( 0.2500000 0.2829448 0.6672118), wk = 0.0033670 k( 229) = ( 0.2578125 0.2917869 0.6538579), wk = 0.0033670 k( 230) = ( 0.2656250 0.3006289 0.6405040), wk = 0.0033670 k( 231) = ( 0.2734375 0.3094709 0.6271501), wk = 0.0033670 k( 232) = ( 0.2812500 0.3183129 0.6137963), wk = 0.0033670 k( 233) = ( 0.2890625 0.3271550 0.6004424), wk = 0.0033670 k( 234) = ( 0.2968750 0.3359970 0.5870885), wk = 0.0033670 k( 235) = ( 0.3046875 0.3448390 0.5737346), wk = 0.0033670 k( 236) = ( 0.3125000 0.3536811 0.5603808), wk = 0.0033670 k( 237) = ( 0.3203125 0.3625231 0.5470269), wk = 0.0033670 k( 238) = ( 0.3281250 0.3713651 0.5336730), wk = 0.0033670 k( 239) = ( 0.3359375 0.3802071 0.5203192), wk = 0.0033670 k( 240) = ( 0.3437500 0.3890492 0.5069653), wk = 0.0033670 k( 241) = ( 0.3515625 0.3978912 0.4936114), wk = 0.0033670 k( 242) = ( 0.3593750 0.4067332 0.4802575), wk = 0.0033670 k( 243) = ( 0.3671875 0.4155752 0.4669037), wk = 0.0033670 k( 244) = ( 0.3750000 0.4244173 0.4535498), wk = 0.0033670 k( 245) = ( 0.3828125 0.4332593 0.4401959), wk = 0.0033670 k( 246) = ( 0.3906250 0.4421013 0.4268420), wk = 0.0033670 k( 247) = ( 0.3984375 0.4509433 0.4134882), wk = 0.0033670 k( 248) = ( 0.4062500 0.4597854 0.4001343), wk = 0.0033670 k( 249) = ( 0.4140625 0.4686274 0.3867804), wk = 0.0033670 k( 250) = ( 0.4218750 0.4774694 0.3734265), wk = 0.0033670 k( 251) = ( 0.4296875 0.4863114 0.3600727), wk = 0.0033670 k( 252) = ( 0.4375000 0.4951535 0.3467188), wk = 0.0033670 k( 253) = ( 0.4453125 0.5039955 0.3333649), wk = 0.0033670 k( 254) = ( 0.4531250 0.5128375 0.3200110), wk = 0.0033670 k( 255) = ( 0.4609375 0.5216796 0.3066572), wk = 0.0033670 k( 256) = ( 0.4687500 0.5305216 0.2933033), wk = 0.0033670 k( 257) = ( 0.4765625 0.5393636 0.2799494), wk = 0.0033670 k( 258) = ( 0.4843750 0.5482056 0.2665955), wk = 0.0033670 k( 259) = ( 0.4921875 0.5570477 0.2532417), wk = 0.0033670 k( 260) = ( 0.5000000 0.5658897 0.2398878), wk = 0.0033670 k( 261) = ( 0.5000000 0.5658897 0.2398878), wk = 0.0033670 k( 262) = ( 0.5000000 0.5658897 0.2227530), wk = 0.0033670 k( 263) = ( 0.5000000 0.5658897 0.2056181), wk = 0.0033670 k( 264) = ( 0.5000000 0.5658897 0.1884833), wk = 0.0033670 k( 265) = ( 0.5000000 0.5658897 0.1713484), wk = 0.0033670 k( 266) = ( 0.5000000 0.5658897 0.1542136), wk = 0.0033670 k( 267) = ( 0.5000000 0.5658897 0.1370787), wk = 0.0033670 k( 268) = ( 0.5000000 0.5658897 0.1199439), wk = 0.0033670 k( 269) = ( 0.5000000 0.5658897 0.1028091), wk = 0.0033670 k( 270) = ( 0.5000000 0.5658897 0.0856742), wk = 0.0033670 k( 271) = ( 0.5000000 0.5658897 0.0685394), wk = 0.0033670 k( 272) = ( 0.5000000 0.5658897 0.0514045), wk = 0.0033670 k( 273) = ( 0.5000000 0.5658897 0.0342697), wk = 0.0033670 k( 274) = ( 0.5000000 0.5658897 0.0171348), wk = 0.0033670 k( 275) = ( 0.5000000 0.5658897 -0.0000000), wk = 0.0033670 k( 276) = ( 0.0000000 0.0000000 0.6672118), wk = 0.0033670 k( 277) = ( 0.0119048 0.0134736 0.6672118), wk = 0.0033670 k( 278) = ( 0.0238095 0.0269471 0.6672118), wk = 0.0033670 k( 279) = ( 0.0357143 0.0404207 0.6672118), wk = 0.0033670 k( 280) = ( 0.0476191 0.0538943 0.6672118), wk = 0.0033670 k( 281) = ( 0.0595238 0.0673678 0.6672118), wk = 0.0033670 k( 282) = ( 0.0714286 0.0808414 0.6672118), wk = 0.0033670 k( 283) = ( 0.0833333 0.0943149 0.6672118), wk = 0.0033670 k( 284) = ( 0.0952381 0.1077885 0.6672118), wk = 0.0033670 k( 285) = ( 0.1071429 0.1212621 0.6672118), wk = 0.0033670 k( 286) = ( 0.1190476 0.1347356 0.6672118), wk = 0.0033670 k( 287) = ( 0.1309524 0.1482092 0.6672118), wk = 0.0033670 k( 288) = ( 0.1428571 0.1616828 0.6672118), wk = 0.0033670 k( 289) = ( 0.1547619 0.1751563 0.6672118), wk = 0.0033670 k( 290) = ( 0.1666667 0.1886299 0.6672118), wk = 0.0033670 k( 291) = ( 0.1785714 0.2021035 0.6672118), wk = 0.0033670 k( 292) = ( 0.1904762 0.2155770 0.6672118), wk = 0.0033670 k( 293) = ( 0.2023810 0.2290506 0.6672118), wk = 0.0033670 k( 294) = ( 0.2142857 0.2425241 0.6672118), wk = 0.0033670 k( 295) = ( 0.2261905 0.2559977 0.6672118), wk = 0.0033670 k( 296) = ( 0.2380952 0.2694713 0.6672118), wk = 0.0033670 k( 297) = ( 0.2500000 0.2829448 0.6672118), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0033670 k( 3) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0033670 k( 4) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0033670 k( 5) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0033670 k( 6) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0033670 k( 7) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0033670 k( 8) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0033670 k( 9) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0033670 k( 10) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0033670 k( 11) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0033670 k( 12) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0033670 k( 13) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0033670 k( 14) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0033670 k( 15) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0033670 k( 16) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0033670 k( 17) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0033670 k( 18) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0033670 k( 19) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0033670 k( 20) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0033670 k( 21) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0033670 k( 22) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0033670 k( 23) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0033670 k( 24) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0033670 k( 25) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0033670 k( 26) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0033670 k( 27) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0033670 k( 28) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0033670 k( 29) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0033670 k( 30) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0033670 k( 31) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0033670 k( 32) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0033670 k( 33) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0033670 k( 34) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0033670 k( 35) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0033670 k( 36) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0033670 k( 37) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0033670 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 40) = ( -0.0133430 0.0133430 0.5000000), wk = 0.0033670 k( 41) = ( -0.0266859 0.0266859 0.5000000), wk = 0.0033670 k( 42) = ( -0.0400289 0.0400289 0.5000000), wk = 0.0033670 k( 43) = ( -0.0533719 0.0533719 0.5000000), wk = 0.0033670 k( 44) = ( -0.0667148 0.0667148 0.5000000), wk = 0.0033670 k( 45) = ( -0.0800578 0.0800578 0.5000000), wk = 0.0033670 k( 46) = ( -0.0934008 0.0934008 0.5000000), wk = 0.0033670 k( 47) = ( -0.1067437 0.1067437 0.5000000), wk = 0.0033670 k( 48) = ( -0.1200867 0.1200867 0.5000000), wk = 0.0033670 k( 49) = ( -0.1334296 0.1334296 0.5000000), wk = 0.0033670 k( 50) = ( -0.1467726 0.1467726 0.5000000), wk = 0.0033670 k( 51) = ( -0.1601156 0.1601156 0.5000000), wk = 0.0033670 k( 52) = ( -0.1734585 0.1734585 0.5000000), wk = 0.0033670 k( 53) = ( -0.1868015 0.1868015 0.5000000), wk = 0.0033670 k( 54) = ( -0.2001445 0.2001445 0.5000000), wk = 0.0033670 k( 55) = ( -0.2134874 0.2134874 0.5000000), wk = 0.0033670 k( 56) = ( -0.2268304 0.2268304 0.5000000), wk = 0.0033670 k( 57) = ( -0.2401734 0.2401734 0.5000000), wk = 0.0033670 k( 58) = ( -0.2535163 0.2535163 0.5000000), wk = 0.0033670 k( 59) = ( -0.2668593 0.2668593 0.5000000), wk = 0.0033670 k( 60) = ( -0.2802022 0.2802022 0.5000000), wk = 0.0033670 k( 61) = ( -0.2935452 0.2935452 0.5000000), wk = 0.0033670 k( 62) = ( -0.3068882 0.3068882 0.5000000), wk = 0.0033670 k( 63) = ( -0.3202311 0.3202311 0.5000000), wk = 0.0033670 k( 64) = ( -0.3202311 0.3202311 0.5000000), wk = 0.0033670 k( 65) = ( -0.3292196 0.3292196 0.4910116), wk = 0.0033670 k( 66) = ( -0.3382080 0.3382080 0.4820231), wk = 0.0033670 k( 67) = ( -0.3471965 0.3471965 0.4730347), wk = 0.0033670 k( 68) = ( -0.3561849 0.3561849 0.4640462), wk = 0.0033670 k( 69) = ( -0.3651734 0.3651734 0.4550578), wk = 0.0033670 k( 70) = ( -0.3741618 0.3741618 0.4460693), wk = 0.0033670 k( 71) = ( -0.3831502 0.3831502 0.4370809), wk = 0.0033670 k( 72) = ( -0.3921387 0.3921387 0.4280924), wk = 0.0033670 k( 73) = ( -0.4011271 0.4011271 0.4191040), wk = 0.0033670 k( 74) = ( -0.4101156 0.4101156 0.4101156), wk = 0.0033670 k( 75) = ( -0.4101156 0.4101156 0.4101156), wk = 0.0033670 k( 76) = ( -0.4005780 0.4005780 0.4005780), wk = 0.0033670 k( 77) = ( -0.3910404 0.3910404 0.3910404), wk = 0.0033670 k( 78) = ( -0.3815029 0.3815028 0.3815028), wk = 0.0033670 k( 79) = ( -0.3719653 0.3719653 0.3719653), wk = 0.0033670 k( 80) = ( -0.3624277 0.3624277 0.3624277), wk = 0.0033670 k( 81) = ( -0.3528901 0.3528901 0.3528901), wk = 0.0033670 k( 82) = ( -0.3433526 0.3433526 0.3433526), wk = 0.0033670 k( 83) = ( -0.3338150 0.3338150 0.3338150), wk = 0.0033670 k( 84) = ( -0.3242774 0.3242774 0.3242774), wk = 0.0033670 k( 85) = ( -0.3147398 0.3147398 0.3147398), wk = 0.0033670 k( 86) = ( -0.3052023 0.3052023 0.3052023), wk = 0.0033670 k( 87) = ( -0.2956647 0.2956647 0.2956647), wk = 0.0033670 k( 88) = ( -0.2861271 0.2861271 0.2861271), wk = 0.0033670 k( 89) = ( -0.2765896 0.2765896 0.2765896), wk = 0.0033670 k( 90) = ( -0.2670520 0.2670520 0.2670520), wk = 0.0033670 k( 91) = ( -0.2575144 0.2575144 0.2575144), wk = 0.0033670 k( 92) = ( -0.2479768 0.2479768 0.2479768), wk = 0.0033670 k( 93) = ( -0.2384393 0.2384393 0.2384393), wk = 0.0033670 k( 94) = ( -0.2289017 0.2289017 0.2289017), wk = 0.0033670 k( 95) = ( -0.2193641 0.2193641 0.2193641), wk = 0.0033670 k( 96) = ( -0.2098266 0.2098266 0.2098266), wk = 0.0033670 k( 97) = ( -0.2002890 0.2002890 0.2002890), wk = 0.0033670 k( 98) = ( -0.1907514 0.1907514 0.1907514), wk = 0.0033670 k( 99) = ( -0.1812139 0.1812139 0.1812139), wk = 0.0033670 k( 100) = ( -0.1716763 0.1716763 0.1716763), wk = 0.0033670 k( 101) = ( -0.1621387 0.1621387 0.1621387), wk = 0.0033670 k( 102) = ( -0.1526011 0.1526011 0.1526011), wk = 0.0033670 k( 103) = ( -0.1430636 0.1430636 0.1430636), wk = 0.0033670 k( 104) = ( -0.1335260 0.1335260 0.1335260), wk = 0.0033670 k( 105) = ( -0.1239884 0.1239884 0.1239884), wk = 0.0033670 k( 106) = ( -0.1144509 0.1144509 0.1144509), wk = 0.0033670 k( 107) = ( -0.1049133 0.1049133 0.1049133), wk = 0.0033670 k( 108) = ( -0.0953757 0.0953757 0.0953757), wk = 0.0033670 k( 109) = ( -0.0858381 0.0858381 0.0858381), wk = 0.0033670 k( 110) = ( -0.0763006 0.0763006 0.0763006), wk = 0.0033670 k( 111) = ( -0.0667630 0.0667630 0.0667630), wk = 0.0033670 k( 112) = ( -0.0572254 0.0572254 0.0572254), wk = 0.0033670 k( 113) = ( -0.0476879 0.0476879 0.0476879), wk = 0.0033670 k( 114) = ( -0.0381503 0.0381503 0.0381503), wk = 0.0033670 k( 115) = ( -0.0286127 0.0286127 0.0286127), wk = 0.0033670 k( 116) = ( -0.0190751 0.0190751 0.0190751), wk = 0.0033670 k( 117) = ( -0.0095376 0.0095376 0.0095376), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 120) = ( 0.0119048 0.0119048 -0.0119048), wk = 0.0033670 k( 121) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0033670 k( 122) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0033670 k( 123) = ( 0.0476191 0.0476191 -0.0476191), wk = 0.0033670 k( 124) = ( 0.0595238 0.0595238 -0.0595238), wk = 0.0033670 k( 125) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0033670 k( 126) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0033670 k( 127) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0033670 k( 128) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0033670 k( 129) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0033670 k( 130) = ( 0.1309524 0.1309524 -0.1309524), wk = 0.0033670 k( 131) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0033670 k( 132) = ( 0.1547619 0.1547619 -0.1547619), wk = 0.0033670 k( 133) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0033670 k( 134) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0033670 k( 135) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0033670 k( 136) = ( 0.2023810 0.2023810 -0.2023810), wk = 0.0033670 k( 137) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0033670 k( 138) = ( 0.2261905 0.2261905 -0.2261905), wk = 0.0033670 k( 139) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0033670 k( 140) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0033670 k( 141) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0033670 k( 142) = ( 0.2738095 0.2738095 -0.2738095), wk = 0.0033670 k( 143) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0033670 k( 144) = ( 0.2976190 0.2976190 -0.2976190), wk = 0.0033670 k( 145) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0033670 k( 146) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0033670 k( 147) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0033670 k( 148) = ( 0.3452381 0.3452381 -0.3452381), wk = 0.0033670 k( 149) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0033670 k( 150) = ( 0.3690476 0.3690476 -0.3690476), wk = 0.0033670 k( 151) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0033670 k( 152) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0033670 k( 153) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0033670 k( 154) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0033670 k( 155) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0033670 k( 156) = ( 0.4404762 0.4404762 -0.4404762), wk = 0.0033670 k( 157) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0033670 k( 158) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0033670 k( 159) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0033670 k( 160) = ( 0.4880952 0.4880952 -0.4880952), wk = 0.0033670 k( 161) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033670 k( 162) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033670 k( 163) = ( 0.4910116 0.5089884 -0.4910116), wk = 0.0033670 k( 164) = ( 0.4820231 0.5179769 -0.4820231), wk = 0.0033670 k( 165) = ( 0.4730347 0.5269653 -0.4730347), wk = 0.0033670 k( 166) = ( 0.4640462 0.5359538 -0.4640462), wk = 0.0033670 k( 167) = ( 0.4550578 0.5449422 -0.4550578), wk = 0.0033670 k( 168) = ( 0.4460693 0.5539307 -0.4460693), wk = 0.0033670 k( 169) = ( 0.4370809 0.5629191 -0.4370809), wk = 0.0033670 k( 170) = ( 0.4280925 0.5719076 -0.4280925), wk = 0.0033670 k( 171) = ( 0.4191040 0.5808960 -0.4191040), wk = 0.0033670 k( 172) = ( 0.4101156 0.5898844 -0.4101156), wk = 0.0033670 k( 173) = ( 0.4101156 0.5898844 -0.4101156), wk = 0.0033670 k( 174) = ( 0.3949261 0.5865554 -0.3949261), wk = 0.0033670 k( 175) = ( 0.3797366 0.5832263 -0.3797366), wk = 0.0033670 k( 176) = ( 0.3645472 0.5798973 -0.3645472), wk = 0.0033670 k( 177) = ( 0.3493577 0.5765682 -0.3493577), wk = 0.0033670 k( 178) = ( 0.3341682 0.5732392 -0.3341682), wk = 0.0033670 k( 179) = ( 0.3189788 0.5699101 -0.3189788), wk = 0.0033670 k( 180) = ( 0.3037893 0.5665811 -0.3037893), wk = 0.0033670 k( 181) = ( 0.2885998 0.5632520 -0.2885998), wk = 0.0033670 k( 182) = ( 0.2734104 0.5599230 -0.2734104), wk = 0.0033670 k( 183) = ( 0.2582209 0.5565939 -0.2582209), wk = 0.0033670 k( 184) = ( 0.2430315 0.5532649 -0.2430314), wk = 0.0033670 k( 185) = ( 0.2278420 0.5499358 -0.2278420), wk = 0.0033670 k( 186) = ( 0.2126525 0.5466067 -0.2126525), wk = 0.0033670 k( 187) = ( 0.1974631 0.5432777 -0.1974631), wk = 0.0033670 k( 188) = ( 0.1822736 0.5399486 -0.1822736), wk = 0.0033670 k( 189) = ( 0.1670841 0.5366196 -0.1670841), wk = 0.0033670 k( 190) = ( 0.1518946 0.5332905 -0.1518947), wk = 0.0033670 k( 191) = ( 0.1367052 0.5299615 -0.1367052), wk = 0.0033670 k( 192) = ( 0.1215157 0.5266324 -0.1215157), wk = 0.0033670 k( 193) = ( 0.1063263 0.5233034 -0.1063263), wk = 0.0033670 k( 194) = ( 0.0911368 0.5199743 -0.0911368), wk = 0.0033670 k( 195) = ( 0.0759473 0.5166453 -0.0759473), wk = 0.0033670 k( 196) = ( 0.0607579 0.5133162 -0.0607579), wk = 0.0033670 k( 197) = ( 0.0455684 0.5099872 -0.0455684), wk = 0.0033670 k( 198) = ( 0.0303789 0.5066581 -0.0303789), wk = 0.0033670 k( 199) = ( 0.0151895 0.5033290 -0.0151895), wk = 0.0033670 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033670 k( 201) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033670 k( 202) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0033670 k( 203) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0033670 k( 204) = ( 0.0288462 0.4711539 0.0288461), wk = 0.0033670 k( 205) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0033670 k( 206) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0033670 k( 207) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0033670 k( 208) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0033670 k( 209) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0033670 k( 210) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0033670 k( 211) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0033670 k( 212) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0033670 k( 213) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0033670 k( 214) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033670 k( 215) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0033670 k( 216) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0033670 k( 217) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0033670 k( 218) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0033670 k( 219) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0033670 k( 220) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0033670 k( 221) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0033670 k( 222) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0033670 k( 223) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0033670 k( 224) = ( 0.2211539 0.2788462 0.2211538), wk = 0.0033670 k( 225) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0033670 k( 226) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0033670 k( 227) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 k( 228) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 k( 229) = ( 0.2578125 0.2578125 0.2321803), wk = 0.0033670 k( 230) = ( 0.2656250 0.2656250 0.2143605), wk = 0.0033670 k( 231) = ( 0.2734375 0.2734375 0.1965408), wk = 0.0033670 k( 232) = ( 0.2812500 0.2812500 0.1787211), wk = 0.0033670 k( 233) = ( 0.2890625 0.2890625 0.1609014), wk = 0.0033670 k( 234) = ( 0.2968750 0.2968750 0.1430817), wk = 0.0033670 k( 235) = ( 0.3046875 0.3046875 0.1252619), wk = 0.0033670 k( 236) = ( 0.3125000 0.3125000 0.1074422), wk = 0.0033670 k( 237) = ( 0.3203125 0.3203125 0.0896225), wk = 0.0033670 k( 238) = ( 0.3281250 0.3281250 0.0718028), wk = 0.0033670 k( 239) = ( 0.3359375 0.3359375 0.0539830), wk = 0.0033670 k( 240) = ( 0.3437500 0.3437500 0.0361633), wk = 0.0033670 k( 241) = ( 0.3515625 0.3515625 0.0183436), wk = 0.0033670 k( 242) = ( 0.3593750 0.3593750 0.0005239), wk = 0.0033670 k( 243) = ( 0.3671875 0.3671875 -0.0172958), wk = 0.0033670 k( 244) = ( 0.3750000 0.3750000 -0.0351156), wk = 0.0033670 k( 245) = ( 0.3828125 0.3828125 -0.0529353), wk = 0.0033670 k( 246) = ( 0.3906250 0.3906250 -0.0707550), wk = 0.0033670 k( 247) = ( 0.3984375 0.3984375 -0.0885747), wk = 0.0033670 k( 248) = ( 0.4062500 0.4062500 -0.1063945), wk = 0.0033670 k( 249) = ( 0.4140625 0.4140625 -0.1242142), wk = 0.0033670 k( 250) = ( 0.4218750 0.4218750 -0.1420339), wk = 0.0033670 k( 251) = ( 0.4296875 0.4296875 -0.1598536), wk = 0.0033670 k( 252) = ( 0.4375000 0.4375000 -0.1776734), wk = 0.0033670 k( 253) = ( 0.4453125 0.4453125 -0.1954931), wk = 0.0033670 k( 254) = ( 0.4531250 0.4531250 -0.2133128), wk = 0.0033670 k( 255) = ( 0.4609375 0.4609375 -0.2311325), wk = 0.0033670 k( 256) = ( 0.4687500 0.4687500 -0.2489522), wk = 0.0033670 k( 257) = ( 0.4765625 0.4765625 -0.2667720), wk = 0.0033670 k( 258) = ( 0.4843750 0.4843750 -0.2845917), wk = 0.0033670 k( 259) = ( 0.4921875 0.4921875 -0.3024114), wk = 0.0033670 k( 260) = ( 0.5000000 0.5000000 -0.3202311), wk = 0.0033670 k( 261) = ( 0.5000000 0.5000000 -0.3202311), wk = 0.0033670 k( 262) = ( 0.5000000 0.5000000 -0.3330718), wk = 0.0033670 k( 263) = ( 0.5000000 0.5000000 -0.3459124), wk = 0.0033670 k( 264) = ( 0.5000000 0.5000000 -0.3587530), wk = 0.0033670 k( 265) = ( 0.5000000 0.5000000 -0.3715937), wk = 0.0033670 k( 266) = ( 0.5000000 0.5000000 -0.3844343), wk = 0.0033670 k( 267) = ( 0.5000000 0.5000000 -0.3972749), wk = 0.0033670 k( 268) = ( 0.5000000 0.5000000 -0.4101156), wk = 0.0033670 k( 269) = ( 0.5000000 0.5000000 -0.4229562), wk = 0.0033670 k( 270) = ( 0.5000000 0.5000000 -0.4357968), wk = 0.0033670 k( 271) = ( 0.5000000 0.5000000 -0.4486375), wk = 0.0033670 k( 272) = ( 0.5000000 0.5000000 -0.4614781), wk = 0.0033670 k( 273) = ( 0.5000000 0.5000000 -0.4743187), wk = 0.0033670 k( 274) = ( 0.5000000 0.5000000 -0.4871594), wk = 0.0033670 k( 275) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033670 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 277) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0033670 k( 278) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0033670 k( 279) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0033670 k( 280) = ( 0.0476191 0.0476191 0.4523810), wk = 0.0033670 k( 281) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0033670 k( 282) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0033670 k( 283) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0033670 k( 284) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0033670 k( 285) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0033670 k( 286) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0033670 k( 287) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0033670 k( 288) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0033670 k( 289) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0033670 k( 290) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0033670 k( 291) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0033670 k( 292) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0033670 k( 293) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0033670 k( 294) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0033670 k( 295) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0033670 k( 296) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0033670 k( 297) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 Dense grid: 68689 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 32641 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 236, 52) NL pseudopotentials 0.37 Mb ( 118, 204) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1908) G-vector shells 0.01 Mb ( 870) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 236, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.32 Mb ( 204, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrS2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.5 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 19.1 secs Computing kpt #: 31 total cpu time spent up to now is 19.6 secs Computing kpt #: 32 total cpu time spent up to now is 20.1 secs Computing kpt #: 33 total cpu time spent up to now is 20.6 secs Computing kpt #: 34 total cpu time spent up to now is 21.2 secs Computing kpt #: 35 total cpu time spent up to now is 21.7 secs Computing kpt #: 36 total cpu time spent up to now is 22.3 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.3 secs Computing kpt #: 39 total cpu time spent up to now is 23.9 secs Computing kpt #: 40 total cpu time spent up to now is 24.4 secs Computing kpt #: 41 total cpu time spent up to now is 25.0 secs Computing kpt #: 42 total cpu time spent up to now is 25.6 secs Computing kpt #: 43 total cpu time spent up to now is 26.2 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.5 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.3 secs Computing kpt #: 49 total cpu time spent up to now is 29.9 secs Computing kpt #: 50 total cpu time spent up to now is 30.5 secs Computing kpt #: 51 total cpu time spent up to now is 31.0 secs Computing kpt #: 52 total cpu time spent up to now is 31.6 secs Computing kpt #: 53 total cpu time spent up to now is 32.1 secs Computing kpt #: 54 total cpu time spent up to now is 32.7 secs Computing kpt #: 55 total cpu time spent up to now is 33.4 secs Computing kpt #: 56 total cpu time spent up to now is 34.0 secs Computing kpt #: 57 total cpu time spent up to now is 34.7 secs Computing kpt #: 58 total cpu time spent up to now is 35.3 secs Computing kpt #: 59 total cpu time spent up to now is 36.0 secs Computing kpt #: 60 total cpu time spent up to now is 36.7 secs Computing kpt #: 61 total cpu time spent up to now is 37.3 secs Computing kpt #: 62 total cpu time spent up to now is 38.0 secs Computing kpt #: 63 total cpu time spent up to now is 38.6 secs Computing kpt #: 64 total cpu time spent up to now is 39.2 secs Computing kpt #: 65 total cpu time spent up to now is 39.8 secs Computing kpt #: 66 total cpu time spent up to now is 40.4 secs Computing kpt #: 67 total cpu time spent up to now is 41.1 secs Computing kpt #: 68 total cpu time spent up to now is 41.7 secs Computing kpt #: 69 total cpu time spent up to now is 42.4 secs Computing kpt #: 70 total cpu time spent up to now is 43.0 secs Computing kpt #: 71 total cpu time spent up to now is 43.7 secs Computing kpt #: 72 total cpu time spent up to now is 44.3 secs Computing kpt #: 73 total cpu time spent up to now is 45.0 secs Computing kpt #: 74 total cpu time spent up to now is 45.5 secs Computing kpt #: 75 total cpu time spent up to now is 46.2 secs Computing kpt #: 76 total cpu time spent up to now is 46.8 secs Computing kpt #: 77 total cpu time spent up to now is 47.5 secs Computing kpt #: 78 total cpu time spent up to now is 48.1 secs Computing kpt #: 79 total cpu time spent up to now is 48.8 secs Computing kpt #: 80 total cpu time spent up to now is 49.4 secs Computing kpt #: 81 total cpu time spent up to now is 50.0 secs Computing kpt #: 82 total cpu time spent up to now is 50.7 secs Computing kpt #: 83 total cpu time spent up to now is 51.3 secs Computing kpt #: 84 total cpu time spent up to now is 52.0 secs Computing kpt #: 85 total cpu time spent up to now is 52.6 secs Computing kpt #: 86 total cpu time spent up to now is 53.2 secs Computing kpt #: 87 total cpu time spent up to now is 53.8 secs Computing kpt #: 88 total cpu time spent up to now is 54.3 secs Computing kpt #: 89 total cpu time spent up to now is 54.8 secs Computing kpt #: 90 total cpu time spent up to now is 55.4 secs Computing kpt #: 91 total cpu time spent up to now is 55.9 secs Computing kpt #: 92 total cpu time spent up to now is 56.4 secs Computing kpt #: 93 total cpu time spent up to now is 56.9 secs Computing kpt #: 94 total cpu time spent up to now is 57.5 secs Computing kpt #: 95 total cpu time spent up to now is 58.0 secs Computing kpt #: 96 total cpu time spent up to now is 58.5 secs Computing kpt #: 97 total cpu time spent up to now is 59.0 secs Computing kpt #: 98 total cpu time spent up to now is 59.5 secs Computing kpt #: 99 total cpu time spent up to now is 60.0 secs Computing kpt #: 100 total cpu time spent up to now is 60.6 secs Computing kpt #: 101 total cpu time spent up to now is 61.1 secs Computing kpt #: 102 total cpu time spent up to now is 61.6 secs Computing kpt #: 103 total cpu time spent up to now is 62.1 secs Computing kpt #: 104 total cpu time spent up to now is 62.6 secs Computing kpt #: 105 total cpu time spent up to now is 63.2 secs Computing kpt #: 106 total cpu time spent up to now is 63.8 secs Computing kpt #: 107 total cpu time spent up to now is 64.5 secs Computing kpt #: 108 total cpu time spent up to now is 65.6 secs Computing kpt #: 109 total cpu time spent up to now is 66.2 secs Computing kpt #: 110 total cpu time spent up to now is 67.0 secs Computing kpt #: 111 total cpu time spent up to now is 67.7 secs Computing kpt #: 112 total cpu time spent up to now is 68.3 secs Computing kpt #: 113 total cpu time spent up to now is 68.9 secs Computing kpt #: 114 total cpu time spent up to now is 69.6 secs Computing kpt #: 115 total cpu time spent up to now is 70.2 secs Computing kpt #: 116 total cpu time spent up to now is 70.8 secs Computing kpt #: 117 total cpu time spent up to now is 71.4 secs Computing kpt #: 118 total cpu time spent up to now is 72.1 secs Computing kpt #: 119 total cpu time spent up to now is 72.7 secs Computing kpt #: 120 total cpu time spent up to now is 73.3 secs Computing kpt #: 121 total cpu time spent up to now is 73.9 secs Computing kpt #: 122 total cpu time spent up to now is 74.5 secs Computing kpt #: 123 total cpu time spent up to now is 75.1 secs Computing kpt #: 124 total cpu time spent up to now is 75.7 secs Computing kpt #: 125 total cpu time spent up to now is 76.3 secs Computing kpt #: 126 total cpu time spent up to now is 77.0 secs Computing kpt #: 127 total cpu time spent up to now is 77.6 secs Computing kpt #: 128 total cpu time spent up to now is 78.2 secs Computing kpt #: 129 total cpu time spent up to now is 78.9 secs Computing kpt #: 130 total cpu time spent up to now is 79.5 secs Computing kpt #: 131 total cpu time spent up to now is 80.0 secs Computing kpt #: 132 total cpu time spent up to now is 80.5 secs Computing kpt #: 133 total cpu time spent up to now is 81.1 secs Computing kpt #: 134 total cpu time spent up to now is 81.6 secs Computing kpt #: 135 total cpu time spent up to now is 82.1 secs Computing kpt #: 136 total cpu time spent up to now is 82.7 secs Computing kpt #: 137 total cpu time spent up to now is 83.2 secs Computing kpt #: 138 total cpu time spent up to now is 83.7 secs Computing kpt #: 139 total cpu time spent up to now is 84.2 secs Computing kpt #: 140 total cpu time spent up to now is 84.8 secs Computing kpt #: 141 total cpu time spent up to now is 85.3 secs Computing kpt #: 142 total cpu time spent up to now is 85.9 secs Computing kpt #: 143 total cpu time spent up to now is 86.4 secs Computing kpt #: 144 total cpu time spent up to now is 87.0 secs Computing kpt #: 145 total cpu time spent up to now is 87.7 secs Computing kpt #: 146 total cpu time spent up to now is 88.3 secs Computing kpt #: 147 total cpu time spent up to now is 89.0 secs Computing kpt #: 148 total cpu time spent up to now is 89.6 secs Computing kpt #: 149 total cpu time spent up to now is 90.2 secs Computing kpt #: 150 total cpu time spent up to now is 90.8 secs Computing kpt #: 151 total cpu time spent up to now is 91.4 secs Computing kpt #: 152 total cpu time spent up to now is 91.9 secs Computing kpt #: 153 total cpu time spent up to now is 92.5 secs Computing kpt #: 154 total cpu time spent up to now is 93.1 secs Computing kpt #: 155 total cpu time spent up to now is 93.7 secs Computing kpt #: 156 total cpu time spent up to now is 94.3 secs Computing kpt #: 157 total cpu time spent up to now is 94.9 secs Computing kpt #: 158 total cpu time spent up to now is 95.4 secs Computing kpt #: 159 total cpu time spent up to now is 96.0 secs Computing kpt #: 160 total cpu time spent up to now is 96.5 secs Computing kpt #: 161 total cpu time spent up to now is 97.1 secs Computing kpt #: 162 total cpu time spent up to now is 97.6 secs Computing kpt #: 163 total cpu time spent up to now is 98.1 secs Computing kpt #: 164 total cpu time spent up to now is 98.7 secs Computing kpt #: 165 total cpu time spent up to now is 99.2 secs Computing kpt #: 166 total cpu time spent up to now is 99.8 secs Computing kpt #: 167 total cpu time spent up to now is 100.3 secs Computing kpt #: 168 total cpu time spent up to now is 100.9 secs Computing kpt #: 169 total cpu time spent up to now is 101.4 secs Computing kpt #: 170 total cpu time spent up to now is 102.0 secs Computing kpt #: 171 total cpu time spent up to now is 102.6 secs Computing kpt #: 172 total cpu time spent up to now is 103.1 secs Computing kpt #: 173 total cpu time spent up to now is 103.8 secs Computing kpt #: 174 total cpu time spent up to now is 104.4 secs Computing kpt #: 175 total cpu time spent up to now is 105.0 secs Computing kpt #: 176 total cpu time spent up to now is 105.6 secs Computing kpt #: 177 total cpu time spent up to now is 106.1 secs Computing kpt #: 178 total cpu time spent up to now is 106.7 secs Computing kpt #: 179 total cpu time spent up to now is 107.3 secs Computing kpt #: 180 total cpu time spent up to now is 107.8 secs Computing kpt #: 181 total cpu time spent up to now is 108.4 secs Computing kpt #: 182 total cpu time spent up to now is 109.0 secs Computing kpt #: 183 total cpu time spent up to now is 109.6 secs Computing kpt #: 184 total cpu time spent up to now is 110.2 secs Computing kpt #: 185 total cpu time spent up to now is 110.7 secs Computing kpt #: 186 total cpu time spent up to now is 111.3 secs Computing kpt #: 187 total cpu time spent up to now is 111.9 secs Computing kpt #: 188 total cpu time spent up to now is 112.6 secs Computing kpt #: 189 total cpu time spent up to now is 113.2 secs Computing kpt #: 190 total cpu time spent up to now is 113.8 secs Computing kpt #: 191 total cpu time spent up to now is 114.4 secs Computing kpt #: 192 total cpu time spent up to now is 115.0 secs Computing kpt #: 193 total cpu time spent up to now is 115.6 secs Computing kpt #: 194 total cpu time spent up to now is 116.2 secs Computing kpt #: 195 total cpu time spent up to now is 116.7 secs Computing kpt #: 196 total cpu time spent up to now is 117.3 secs Computing kpt #: 197 total cpu time spent up to now is 117.8 secs Computing kpt #: 198 total cpu time spent up to now is 118.4 secs Computing kpt #: 199 total cpu time spent up to now is 118.9 secs Computing kpt #: 200 total cpu time spent up to now is 119.4 secs Computing kpt #: 201 total cpu time spent up to now is 120.0 secs Computing kpt #: 202 total cpu time spent up to now is 120.5 secs Computing kpt #: 203 total cpu time spent up to now is 121.0 secs Computing kpt #: 204 total cpu time spent up to now is 121.6 secs Computing kpt #: 205 total cpu time spent up to now is 122.1 secs Computing kpt #: 206 total cpu time spent up to now is 122.6 secs Computing kpt #: 207 total cpu time spent up to now is 123.2 secs Computing kpt #: 208 total cpu time spent up to now is 123.7 secs Computing kpt #: 209 total cpu time spent up to now is 124.2 secs Computing kpt #: 210 total cpu time spent up to now is 124.8 secs Computing kpt #: 211 total cpu time spent up to now is 125.4 secs Computing kpt #: 212 total cpu time spent up to now is 125.9 secs Computing kpt #: 213 total cpu time spent up to now is 126.5 secs Computing kpt #: 214 total cpu time spent up to now is 127.0 secs Computing kpt #: 215 total cpu time spent up to now is 127.6 secs Computing kpt #: 216 total cpu time spent up to now is 128.2 secs Computing kpt #: 217 total cpu time spent up to now is 128.7 secs Computing kpt #: 218 total cpu time spent up to now is 129.3 secs Computing kpt #: 219 total cpu time spent up to now is 129.9 secs Computing kpt #: 220 total cpu time spent up to now is 130.5 secs Computing kpt #: 221 total cpu time spent up to now is 131.2 secs Computing kpt #: 222 total cpu time spent up to now is 131.8 secs Computing kpt #: 223 total cpu time spent up to now is 132.4 secs Computing kpt #: 224 total cpu time spent up to now is 133.1 secs Computing kpt #: 225 total cpu time spent up to now is 133.7 secs Computing kpt #: 226 total cpu time spent up to now is 134.3 secs Computing kpt #: 227 total cpu time spent up to now is 135.0 secs Computing kpt #: 228 total cpu time spent up to now is 135.6 secs Computing kpt #: 229 total cpu time spent up to now is 136.2 secs Computing kpt #: 230 total cpu time spent up to now is 136.9 secs Computing kpt #: 231 total cpu time spent up to now is 137.5 secs Computing kpt #: 232 total cpu time spent up to now is 138.2 secs Computing kpt #: 233 total cpu time spent up to now is 138.8 secs Computing kpt #: 234 total cpu time spent up to now is 139.4 secs Computing kpt #: 235 total cpu time spent up to now is 140.1 secs Computing kpt #: 236 total cpu time spent up to now is 140.7 secs Computing kpt #: 237 total cpu time spent up to now is 141.4 secs Computing kpt #: 238 total cpu time spent up to now is 142.0 secs Computing kpt #: 239 total cpu time spent up to now is 142.6 secs Computing kpt #: 240 total cpu time spent up to now is 143.1 secs Computing kpt #: 241 total cpu time spent up to now is 143.7 secs Computing kpt #: 242 total cpu time spent up to now is 144.3 secs Computing kpt #: 243 total cpu time spent up to now is 144.8 secs Computing kpt #: 244 total cpu time spent up to now is 145.4 secs Computing kpt #: 245 total cpu time spent up to now is 146.0 secs Computing kpt #: 246 total cpu time spent up to now is 146.6 secs Computing kpt #: 247 total cpu time spent up to now is 147.1 secs Computing kpt #: 248 total cpu time spent up to now is 147.7 secs Computing kpt #: 249 total cpu time spent up to now is 148.3 secs Computing kpt #: 250 total cpu time spent up to now is 148.9 secs Computing kpt #: 251 total cpu time spent up to now is 149.4 secs Computing kpt #: 252 total cpu time spent up to now is 150.0 secs Computing kpt #: 253 total cpu time spent up to now is 150.6 secs Computing kpt #: 254 total cpu time spent up to now is 151.1 secs Computing kpt #: 255 total cpu time spent up to now is 151.7 secs Computing kpt #: 256 total cpu time spent up to now is 152.4 secs Computing kpt #: 257 total cpu time spent up to now is 153.0 secs Computing kpt #: 258 total cpu time spent up to now is 153.6 secs Computing kpt #: 259 total cpu time spent up to now is 154.2 secs Computing kpt #: 260 total cpu time spent up to now is 154.9 secs Computing kpt #: 261 total cpu time spent up to now is 155.5 secs Computing kpt #: 262 total cpu time spent up to now is 156.0 secs Computing kpt #: 263 total cpu time spent up to now is 156.6 secs Computing kpt #: 264 total cpu time spent up to now is 157.2 secs Computing kpt #: 265 total cpu time spent up to now is 157.8 secs Computing kpt #: 266 total cpu time spent up to now is 158.3 secs Computing kpt #: 267 total cpu time spent up to now is 158.9 secs Computing kpt #: 268 total cpu time spent up to now is 159.4 secs Computing kpt #: 269 total cpu time spent up to now is 160.0 secs Computing kpt #: 270 total cpu time spent up to now is 160.6 secs Computing kpt #: 271 total cpu time spent up to now is 161.1 secs Computing kpt #: 272 total cpu time spent up to now is 161.7 secs Computing kpt #: 273 total cpu time spent up to now is 162.2 secs Computing kpt #: 274 total cpu time spent up to now is 162.8 secs Computing kpt #: 275 total cpu time spent up to now is 163.3 secs Computing kpt #: 276 total cpu time spent up to now is 163.9 secs Computing kpt #: 277 total cpu time spent up to now is 164.4 secs Computing kpt #: 278 total cpu time spent up to now is 165.0 secs Computing kpt #: 279 total cpu time spent up to now is 165.6 secs Computing kpt #: 280 total cpu time spent up to now is 166.3 secs Computing kpt #: 281 total cpu time spent up to now is 167.0 secs Computing kpt #: 282 total cpu time spent up to now is 167.7 secs Computing kpt #: 283 total cpu time spent up to now is 168.3 secs Computing kpt #: 284 total cpu time spent up to now is 169.0 secs Computing kpt #: 285 total cpu time spent up to now is 169.6 secs Computing kpt #: 286 total cpu time spent up to now is 170.2 secs Computing kpt #: 287 total cpu time spent up to now is 170.7 secs Computing kpt #: 288 total cpu time spent up to now is 171.3 secs Computing kpt #: 289 total cpu time spent up to now is 171.9 secs Computing kpt #: 290 total cpu time spent up to now is 172.5 secs Computing kpt #: 291 total cpu time spent up to now is 173.2 secs Computing kpt #: 292 total cpu time spent up to now is 173.8 secs Computing kpt #: 293 total cpu time spent up to now is 174.5 secs Computing kpt #: 294 total cpu time spent up to now is 175.1 secs Computing kpt #: 295 total cpu time spent up to now is 175.7 secs Computing kpt #: 296 total cpu time spent up to now is 176.4 secs Computing kpt #: 297 total cpu time spent up to now is 177.0 secs ethr = 2.27E-08, avg # of iterations = 20.5 total cpu time spent up to now is 177.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9497 -9.9497 -9.0147 -9.0147 -8.8886 -8.8886 -8.8482 -8.8482 -8.7678 -8.7678 -7.4196 -7.4196 -6.6240 -6.6240 -3.2681 -3.2681 -3.2624 -3.2624 2.3795 2.3795 2.5029 2.5029 3.3979 3.3979 3.6876 3.6876 3.6997 3.6997 4.6355 4.6355 5.4889 5.4889 6.1688 6.1688 6.2205 6.2205 7.1859 7.1859 9.2644 9.2644 10.4390 10.4390 10.4868 10.4868 11.7111 11.7111 k = 0.0000 0.0000 0.0180 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9499 -9.9499 -9.0148 -9.0148 -8.8885 -8.8885 -8.8485 -8.8485 -8.7679 -8.7679 -7.4185 -7.4185 -6.6246 -6.6246 -3.2678 -3.2678 -3.2621 -3.2621 2.3774 2.3774 2.4989 2.4989 3.3980 3.3980 3.6907 3.6907 3.7060 3.7060 4.6353 4.6353 5.4892 5.4892 6.1683 6.1683 6.2199 6.2199 7.1844 7.1844 9.2655 9.2655 10.4297 10.4297 10.4801 10.4801 11.7158 11.7158 k = 0.0000 0.0000 0.0361 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9503 -9.9503 -9.0150 -9.0150 -8.8882 -8.8882 -8.8497 -8.8497 -8.7682 -8.7682 -7.4150 -7.4150 -6.6265 -6.6265 -3.2669 -3.2669 -3.2612 -3.2612 2.3699 2.3699 2.4888 2.4888 3.3982 3.3982 3.6931 3.6931 3.7308 3.7308 4.6348 4.6348 5.4901 5.4901 6.1664 6.1664 6.2184 6.2184 7.1800 7.1800 9.2688 9.2688 10.3922 10.3922 10.4721 10.4721 11.7228 11.7228 k = 0.0000 0.0000 0.0541 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1312 -27.1312 -10.0783 -10.0783 -9.9510 -9.9510 -9.0152 -9.0152 -8.8878 -8.8878 -8.8516 -8.8516 -8.7687 -8.7687 -7.4093 -7.4093 -6.6297 -6.6297 -3.2655 -3.2655 -3.2597 -3.2597 2.3544 2.3544 2.4771 2.4771 3.3985 3.3985 3.6943 3.6943 3.7725 3.7725 4.6340 4.6340 5.4917 5.4917 6.1623 6.1623 6.2170 6.2170 7.1726 7.1726 9.2741 9.2741 10.3248 10.3248 10.4701 10.4701 11.7227 11.7227 k = 0.0000 0.0000 0.0721 ( 4097 PWs) bands (ev): -27.1644 -27.1644 -27.1312 -27.1312 -10.0783 -10.0783 -9.9519 -9.9519 -9.0156 -9.0156 -8.8872 -8.8872 -8.8544 -8.8544 -8.7692 -8.7692 -7.4014 -7.4014 -6.6340 -6.6340 -3.2635 -3.2635 -3.2576 -3.2576 2.3284 2.3284 2.4688 2.4688 3.3989 3.3989 3.6955 3.6955 3.8274 3.8274 4.6328 4.6328 5.4940 5.4940 6.1549 6.1549 6.2168 6.2168 7.1625 7.1625 9.2814 9.2814 10.2372 10.2372 10.4712 10.4712 11.7153 11.7153 k = 0.0000 0.0000 0.0902 ( 4089 PWs) bands (ev): -27.1643 -27.1643 -27.1313 -27.1313 -10.0782 -10.0782 -9.9531 -9.9531 -9.0161 -9.0161 -8.8863 -8.8863 -8.8579 -8.8579 -8.7699 -8.7699 -7.3913 -7.3913 -6.6396 -6.6396 -3.2611 -3.2611 -3.2549 -3.2549 2.2927 2.2927 2.4659 2.4659 3.3993 3.3993 3.6968 3.6968 3.8924 3.8924 4.6314 4.6314 5.4968 5.4968 6.1436 6.1436 6.2185 6.2185 7.1497 7.1497 9.2903 9.2903 10.1370 10.1370 10.4737 10.4737 11.7028 11.7028 k = 0.0000 0.0000 0.1082 ( 4091 PWs) bands (ev): -27.1642 -27.1642 -27.1314 -27.1314 -10.0782 -10.0782 -9.9546 -9.9546 -9.0166 -9.0166 -8.8853 -8.8853 -8.8621 -8.8621 -8.7705 -8.7705 -7.3792 -7.3792 -6.6462 -6.6462 -3.2586 -3.2586 -3.2517 -3.2517 2.2505 2.2505 2.4676 2.4676 3.3998 3.3998 3.6984 3.6984 3.9646 3.9646 4.6296 4.6296 5.5003 5.5003 6.1282 6.1282 6.2224 6.2224 7.1343 7.1343 9.3003 9.3003 10.0298 10.0298 10.4770 10.4770 11.6866 11.6866 k = 0.0000 0.0000 0.1262 ( 4075 PWs) bands (ev): -27.1641 -27.1641 -27.1315 -27.1315 -10.0782 -10.0782 -9.9563 -9.9563 -9.0173 -9.0173 -8.8842 -8.8842 -8.8672 -8.8672 -8.7710 -8.7710 -7.3652 -7.3652 -6.6538 -6.6538 -3.2559 -3.2559 -3.2478 -3.2478 2.2049 2.2049 2.4726 2.4726 3.4004 3.4004 3.7002 3.7002 4.0415 4.0415 4.6276 4.6276 5.5044 5.5044 6.1091 6.1091 6.2281 6.2281 7.1166 7.1166 9.3106 9.3106 9.9201 9.9201 10.4807 10.4807 11.6676 11.6676 k = 0.0000 0.0000 0.1443 ( 4073 PWs) bands (ev): -27.1639 -27.1639 -27.1316 -27.1316 -10.0782 -10.0782 -9.9583 -9.9583 -9.0181 -9.0181 -8.8828 -8.8828 -8.8729 -8.8729 -8.7715 -8.7715 -7.3493 -7.3493 -6.6624 -6.6624 -3.2534 -3.2534 -3.2434 -3.2434 2.1586 2.1586 2.4801 2.4801 3.4010 3.4010 3.7022 3.7022 4.1210 4.1210 4.6253 4.6253 5.5091 5.5091 6.0868 6.0868 6.2353 6.2353 7.0966 7.0966 9.3200 9.3200 9.8121 9.8121 10.4848 10.4848 11.6465 11.6465 k = 0.0000 0.0000 0.1623 ( 4065 PWs) bands (ev): -27.1638 -27.1638 -27.1317 -27.1317 -10.0782 -10.0782 -9.9605 -9.9605 -9.0190 -9.0190 -8.8813 -8.8813 -8.8792 -8.8792 -8.7719 -8.7719 -7.3318 -7.3318 -6.6719 -6.6719 -3.2513 -3.2513 -3.2383 -3.2383 2.1133 2.1133 2.4895 2.4895 3.4016 3.4016 3.7044 3.7044 4.2011 4.2011 4.6228 4.6228 5.5143 5.5143 6.0617 6.0617 6.2440 6.2440 7.0748 7.0748 9.3255 9.3255 9.7108 9.7108 10.4889 10.4889 11.6239 11.6239 k = 0.0000 0.0000 0.1803 ( 4065 PWs) bands (ev): -27.1636 -27.1636 -27.1319 -27.1319 -10.0782 -10.0782 -9.9629 -9.9629 -9.0200 -9.0200 -8.8861 -8.8861 -8.8796 -8.8796 -8.7722 -8.7722 -7.3127 -7.3127 -6.6821 -6.6821 -3.2497 -3.2497 -3.2327 -3.2327 2.0705 2.0705 2.5004 2.5004 3.4023 3.4023 3.7068 3.7068 4.2799 4.2799 4.6201 4.6201 5.5201 5.5201 6.0340 6.0340 6.2538 6.2538 7.0512 7.0512 9.3216 9.3216 9.6236 9.6236 10.4928 10.4928 11.6005 11.6005 k = 0.0000 0.0000 0.1984 ( 4059 PWs) bands (ev): -27.1634 -27.1634 -27.1320 -27.1320 -10.0782 -10.0782 -9.9656 -9.9656 -9.0210 -9.0210 -8.8935 -8.8935 -8.8777 -8.8777 -8.7723 -8.7723 -7.2922 -7.2922 -6.6931 -6.6931 -3.2487 -3.2487 -3.2267 -3.2267 2.0312 2.0312 2.5126 2.5126 3.4030 3.4030 3.7095 3.7095 4.3558 4.3558 4.6174 4.6174 5.5264 5.5264 6.0042 6.0042 6.2645 6.2645 7.0261 7.0261 9.2987 9.2987 9.5615 9.5615 10.4965 10.4965 11.5770 11.5770 k = 0.0000 0.0000 0.2164 ( 4061 PWs) bands (ev): -27.1633 -27.1633 -27.1322 -27.1322 -10.0782 -10.0782 -9.9684 -9.9684 -9.0222 -9.0222 -8.9013 -8.9013 -8.8757 -8.8757 -8.7723 -8.7723 -7.2704 -7.2704 -6.7045 -6.7045 -3.2486 -3.2486 -3.2201 -3.2201 1.9961 1.9961 2.5259 2.5259 3.4037 3.4037 3.7122 3.7122 4.4270 4.4270 4.6147 4.6147 5.5333 5.5333 5.9725 5.9725 6.2762 6.2762 6.9997 6.9997 9.2514 9.2514 9.5316 9.5316 10.4996 10.4996 11.5541 11.5541 k = 0.0000 0.0000 0.2344 ( 4067 PWs) bands (ev): -27.1631 -27.1631 -27.1324 -27.1324 -10.0783 -10.0783 -9.9714 -9.9714 -9.0234 -9.0234 -8.9094 -8.9094 -8.8735 -8.8735 -8.7722 -8.7722 -7.2475 -7.2475 -6.7165 -6.7165 -3.2495 -3.2495 -3.2132 -3.2132 1.9660 1.9660 2.5402 2.5402 3.4044 3.4044 3.7152 3.7152 4.4915 4.4915 4.6125 4.6125 5.5406 5.5406 5.9392 5.9392 6.2887 6.2887 6.9724 6.9724 9.1883 9.1883 9.5264 9.5264 10.5020 10.5020 11.5325 11.5325 k = 0.0000 0.0000 0.2525 ( 4071 PWs) bands (ev): -27.1629 -27.1629 -27.1325 -27.1325 -10.0783 -10.0783 -9.9746 -9.9746 -9.0248 -9.0248 -8.9177 -8.9177 -8.8712 -8.8712 -8.7720 -8.7720 -7.2237 -7.2237 -6.7288 -6.7288 -3.2514 -3.2514 -3.2060 -3.2060 1.9413 1.9413 2.5554 2.5554 3.4052 3.4052 3.7182 3.7182 4.5462 4.5462 4.6124 4.6124 5.5483 5.5483 5.9047 5.9047 6.3018 6.3018 6.9443 6.9443 9.1223 9.1223 9.5342 9.5342 10.5036 10.5036 11.5130 11.5130 k = 0.0000 0.0000 0.2705 ( 4062 PWs) bands (ev): -27.1626 -27.1626 -27.1327 -27.1327 -10.0784 -10.0784 -9.9779 -9.9779 -9.0261 -9.0261 -8.9261 -8.9261 -8.8687 -8.8687 -8.7717 -8.7717 -7.1992 -7.1992 -6.7413 -6.7413 -3.2546 -3.2546 -3.1985 -3.1985 1.9225 1.9225 2.5712 2.5712 3.4060 3.4060 3.7213 3.7213 4.5814 4.5814 4.6226 4.6226 5.5564 5.5564 5.8691 5.8691 6.3156 6.3156 6.9157 6.9157 9.0614 9.0614 9.5482 9.5482 10.5042 10.5042 11.4964 11.4964 k = 0.0000 0.0000 0.2885 ( 4068 PWs) bands (ev): -27.1624 -27.1624 -27.1329 -27.1329 -10.0784 -10.0784 -9.9813 -9.9813 -9.0276 -9.0276 -8.9345 -8.9345 -8.8662 -8.8662 -8.7713 -8.7713 -7.1740 -7.1740 -6.7539 -6.7539 -3.2590 -3.2590 -3.1908 -3.1908 1.9098 1.9098 2.5876 2.5876 3.4067 3.4067 3.7246 3.7246 4.5895 4.5895 4.6495 4.6495 5.5648 5.5648 5.8329 5.8329 6.3297 6.3297 6.8868 6.8868 9.0097 9.0097 9.5649 9.5649 10.5036 10.5036 11.4834 11.4834 k = 0.0000 0.0000 0.3066 ( 4064 PWs) bands (ev): -27.1622 -27.1622 -27.1331 -27.1331 -10.0785 -10.0785 -9.9848 -9.9848 -9.0291 -9.0291 -8.9429 -8.9429 -8.8636 -8.8636 -8.7708 -8.7708 -7.1485 -7.1485 -6.7666 -6.7666 -3.2648 -3.2648 -3.1830 -3.1830 1.9036 1.9036 2.6044 2.6044 3.4075 3.4075 3.7278 3.7278 4.5885 4.5885 4.6740 4.6740 5.5736 5.5736 5.7962 5.7962 6.3442 6.3442 6.8580 6.8580 8.9697 8.9697 9.5827 9.5827 10.5018 10.5018 11.4747 11.4747 k = 0.0000 0.0000 0.3246 ( 4076 PWs) bands (ev): -27.1620 -27.1620 -27.1333 -27.1333 -10.0786 -10.0786 -9.9884 -9.9884 -9.0306 -9.0306 -8.9512 -8.9512 -8.8608 -8.8608 -8.7702 -8.7702 -7.1227 -7.1227 -6.7791 -6.7791 -3.2719 -3.2719 -3.1751 -3.1751 1.9038 1.9038 2.6215 2.6215 3.4082 3.4082 3.7311 3.7311 4.5855 4.5855 4.6881 4.6881 5.5825 5.5825 5.7594 5.7594 6.3590 6.3590 6.8293 6.8293 8.9426 8.9426 9.6006 9.6006 10.4986 10.4986 11.4710 11.4710 k = 0.0000 0.0000 0.3426 ( 4080 PWs) bands (ev): -27.1617 -27.1617 -27.1335 -27.1335 -10.0787 -10.0787 -9.9921 -9.9921 -9.0321 -9.0321 -8.9593 -8.9593 -8.8581 -8.8581 -8.7697 -8.7697 -7.0969 -7.0969 -6.7913 -6.7913 -3.2803 -3.2803 -3.1671 -3.1671 1.9106 1.9106 2.6388 2.6388 3.4089 3.4089 3.7345 3.7345 4.5818 4.5818 4.6900 4.6900 5.5915 5.5915 5.7227 5.7227 6.3738 6.3738 6.8011 6.8011 8.9291 8.9291 9.6182 9.6182 10.4941 10.4941 11.4728 11.4728 k = 0.0000 0.0000 0.3607 ( 4078 PWs) bands (ev): -27.1615 -27.1615 -27.1337 -27.1337 -10.0788 -10.0788 -9.9958 -9.9958 -9.0337 -9.0337 -8.9672 -8.9672 -8.8553 -8.8553 -8.7690 -8.7690 -7.0714 -7.0714 -6.8031 -6.8031 -3.2900 -3.2900 -3.1591 -3.1591 1.9240 1.9240 2.6562 2.6562 3.4096 3.4096 3.7378 3.7378 4.5776 4.5776 4.6794 4.6794 5.6006 5.6006 5.6864 5.6864 6.3887 6.3887 6.7735 6.7735 8.9291 8.9291 9.6353 9.6353 10.4883 10.4883 11.4806 11.4806 k = 0.0000 0.0000 0.3787 ( 4078 PWs) bands (ev): -27.1613 -27.1613 -27.1339 -27.1339 -10.0790 -10.0790 -9.9994 -9.9994 -9.0352 -9.0352 -8.9748 -8.9748 -8.8525 -8.8525 -8.7684 -8.7684 -7.0464 -7.0464 -6.8143 -6.8143 -3.3009 -3.3009 -3.1513 -3.1513 1.9440 1.9440 2.6735 2.6735 3.4103 3.4103 3.7410 3.7410 4.5728 4.5728 4.6566 4.6566 5.6096 5.6096 5.6510 5.6510 6.4034 6.4034 6.7467 6.7467 8.9418 8.9418 9.6521 9.6521 10.4812 10.4812 11.4946 11.4946 k = 0.0000 0.0000 0.3967 ( 4070 PWs) bands (ev): -27.1611 -27.1611 -27.1341 -27.1341 -10.0791 -10.0791 -10.0031 -10.0031 -9.0367 -9.0367 -8.9821 -8.9821 -8.8497 -8.8497 -8.7678 -8.7678 -7.0222 -7.0222 -6.8247 -6.8247 -3.3127 -3.3127 -3.1436 -3.1436 1.9703 1.9703 2.6907 2.6907 3.4109 3.4109 3.7442 3.7442 4.5663 4.5663 4.6235 4.6235 5.6133 5.6133 5.6215 5.6215 6.4179 6.4179 6.7210 6.7210 8.9661 8.9661 9.6691 9.6691 10.4729 10.4729 11.5151 11.5151 k = 0.0000 0.0000 0.4148 ( 4066 PWs) bands (ev): -27.1609 -27.1609 -27.1342 -27.1342 -10.0792 -10.0792 -10.0066 -10.0066 -9.0382 -9.0382 -8.9890 -8.9890 -8.8469 -8.8469 -8.7671 -8.7671 -6.9993 -6.9993 -6.8338 -6.8338 -3.3254 -3.3254 -3.1360 -3.1360 2.0028 2.0028 2.7075 2.7075 3.4115 3.4115 3.7474 3.7474 4.5504 4.5504 4.5886 4.5886 5.5818 5.5818 5.6282 5.6282 6.4320 6.4320 6.6965 6.6965 8.9999 8.9999 9.6871 9.6871 10.4635 10.4635 11.5419 11.5419 k = 0.0000 0.0000 0.4328 ( 4066 PWs) bands (ev): -27.1606 -27.1606 -27.1344 -27.1344 -10.0794 -10.0794 -10.0101 -10.0101 -9.0396 -9.0396 -8.9956 -8.9956 -8.8442 -8.8442 -8.7665 -8.7665 -6.9782 -6.9782 -6.8413 -6.8413 -3.3388 -3.3388 -3.1288 -3.1288 2.0413 2.0413 2.7239 2.7239 3.4121 3.4121 3.7504 3.7504 4.5058 4.5058 4.5723 4.5723 5.5497 5.5497 5.6368 5.6368 6.4455 6.4455 6.6734 6.6734 9.0408 9.0408 9.7074 9.7074 10.4533 10.4533 11.5747 11.5747 k = 0.0000 0.0000 0.4508 ( 4066 PWs) bands (ev): -27.1604 -27.1604 -27.1346 -27.1346 -10.0795 -10.0795 -10.0135 -10.0135 -9.0410 -9.0410 -9.0017 -9.0017 -8.8416 -8.8416 -8.7658 -8.7658 -6.9600 -6.9600 -6.8464 -6.8464 -3.3525 -3.3525 -3.1218 -3.1218 2.0854 2.0854 2.7398 2.7398 3.4126 3.4126 3.7532 3.7532 4.4427 4.4427 4.5658 4.5658 5.5189 5.5189 5.6451 5.6451 6.4583 6.4583 6.6519 6.6519 9.0859 9.0859 9.7316 9.7316 10.4423 10.4423 11.6134 11.6134 k = 0.0000 0.0000 0.4689 ( 4070 PWs) bands (ev): -27.1603 -27.1603 -27.1348 -27.1348 -10.0797 -10.0797 -10.0167 -10.0167 -9.0423 -9.0423 -9.0075 -9.0075 -8.8391 -8.8391 -8.7652 -8.7652 -6.9457 -6.9457 -6.8478 -6.8478 -3.3665 -3.3665 -3.1152 -3.1152 2.1346 2.1346 2.7550 2.7550 3.4131 3.4131 3.7560 3.7560 4.3702 4.3702 4.5614 4.5614 5.4899 5.4899 5.6530 5.6530 6.4702 6.4702 6.6322 6.6322 9.1318 9.1318 9.7614 9.7614 10.4308 10.4308 11.6571 11.6571 k = 0.0000 0.0000 0.4869 ( 4066 PWs) bands (ev): -27.1601 -27.1601 -27.1349 -27.1349 -10.0798 -10.0798 -10.0197 -10.0197 -9.0435 -9.0435 -9.0127 -9.0127 -8.8368 -8.8368 -8.7646 -8.7646 -6.9366 -6.9366 -6.8448 -6.8448 -3.3804 -3.3804 -3.1090 -3.1090 2.1885 2.1885 2.7695 2.7695 3.4136 3.4136 3.7585 3.7585 4.2913 4.2913 4.5577 4.5577 5.4628 5.4628 5.6605 5.6605 6.4809 6.4809 6.6146 6.6146 9.1753 9.1753 9.7986 9.7986 10.4192 10.4192 11.7053 11.7053 k = 0.0000 0.0000 0.5049 ( 4064 PWs) bands (ev): -27.1599 -27.1599 -27.1350 -27.1350 -10.0800 -10.0800 -10.0225 -10.0225 -9.0446 -9.0446 -9.0176 -9.0176 -8.8346 -8.8346 -8.7641 -8.7641 -6.9325 -6.9325 -6.8372 -6.8372 -3.3939 -3.3939 -3.1032 -3.1032 2.2465 2.2465 2.7833 2.7833 3.4139 3.4139 3.7609 3.7609 4.2076 4.2076 4.5545 4.5545 5.4378 5.4378 5.6675 5.6675 6.4902 6.4902 6.5992 6.5992 9.2137 9.2137 9.8441 9.8441 10.4075 10.4075 11.7571 11.7571 k = 0.0000 0.0000 0.5229 ( 4068 PWs) bands (ev): -27.1598 -27.1598 -27.1352 -27.1352 -10.0801 -10.0801 -10.0251 -10.0251 -9.0456 -9.0456 -9.0219 -9.0219 -8.8325 -8.8325 -8.7636 -8.7636 -6.9323 -6.9323 -6.8267 -6.8267 -3.4069 -3.4069 -3.0979 -3.0979 2.3076 2.3076 2.7962 2.7962 3.4143 3.4143 3.7631 3.7631 4.1209 4.1209 4.5517 4.5517 5.4150 5.4150 5.6738 5.6738 6.4977 6.4977 6.5866 6.5866 9.2453 9.2453 9.8977 9.8977 10.3962 10.3962 11.8113 11.8113 k = 0.0000 0.0000 0.5410 ( 4060 PWs) bands (ev): -27.1596 -27.1596 -27.1353 -27.1353 -10.0802 -10.0802 -10.0275 -10.0275 -9.0465 -9.0465 -9.0258 -9.0258 -8.8307 -8.8307 -8.7631 -8.7631 -6.9342 -6.9342 -6.8150 -6.8150 -3.4191 -3.4191 -3.0931 -3.0931 2.3710 2.3710 2.8083 2.8083 3.4146 3.4146 3.7651 3.7651 4.0330 4.0330 4.5492 4.5492 5.3945 5.3945 5.6795 5.6795 6.5028 6.5028 6.5771 6.5771 9.2698 9.2698 9.9579 9.9579 10.3855 10.3855 11.8666 11.8666 k = 0.0000 0.0000 0.5590 ( 4064 PWs) bands (ev): -27.1595 -27.1595 -27.1354 -27.1354 -10.0803 -10.0803 -10.0296 -10.0296 -9.0473 -9.0473 -9.0292 -9.0292 -8.8290 -8.8290 -8.7627 -8.7627 -6.9370 -6.9370 -6.8034 -6.8034 -3.4301 -3.4301 -3.0890 -3.0890 2.4351 2.4351 2.8197 2.8197 3.4148 3.4148 3.7668 3.7668 3.9457 3.9457 4.5470 4.5470 5.3766 5.3766 5.6846 5.6846 6.5051 6.5051 6.5710 6.5710 9.2877 9.2877 10.0218 10.0218 10.3756 10.3756 11.9216 11.9216 k = 0.0000 0.0000 0.5770 ( 4064 PWs) bands (ev): -27.1594 -27.1594 -27.1355 -27.1355 -10.0804 -10.0804 -10.0314 -10.0314 -9.0479 -9.0479 -9.0321 -9.0321 -8.8276 -8.8276 -8.7624 -8.7624 -6.9401 -6.9401 -6.7927 -6.7927 -3.4399 -3.4399 -3.0854 -3.0854 2.4981 2.4981 2.8305 2.8305 3.4150 3.4150 3.7683 3.7683 3.8612 3.8612 4.5451 4.5451 5.3612 5.3612 5.6889 5.6889 6.5050 6.5050 6.5682 6.5682 9.3003 9.3003 10.0857 10.0857 10.3668 10.3668 11.9742 11.9742 k = 0.0000 0.0000 0.5951 ( 4060 PWs) bands (ev): -27.1593 -27.1593 -27.1356 -27.1356 -10.0805 -10.0805 -10.0329 -10.0329 -9.0484 -9.0484 -9.0345 -9.0345 -8.8264 -8.8264 -8.7621 -8.7621 -6.9429 -6.9429 -6.7835 -6.7835 -3.4482 -3.4482 -3.0824 -3.0824 2.5574 2.5574 2.8409 2.8409 3.4151 3.4151 3.7695 3.7695 3.7824 3.7824 4.5436 4.5436 5.3485 5.3485 5.6924 5.6924 6.5031 6.5031 6.5677 6.5677 9.3088 9.3088 10.1456 10.1456 10.3592 10.3592 12.0224 12.0224 k = 0.0000 0.0000 0.6131 ( 4076 PWs) bands (ev): -27.1593 -27.1593 -27.1356 -27.1356 -10.0806 -10.0806 -10.0341 -10.0341 -9.0488 -9.0488 -9.0364 -9.0364 -8.8255 -8.8255 -8.7619 -8.7619 -6.9453 -6.9453 -6.7760 -6.7760 -3.4548 -3.4548 -3.0800 -3.0800 2.6096 2.6096 2.8511 2.8511 3.4152 3.4152 3.7126 3.7126 3.7705 3.7705 4.5424 4.5424 5.3385 5.3385 5.6952 5.6952 6.5006 6.5006 6.5684 6.5684 9.3143 9.3143 10.1976 10.1976 10.3532 10.3532 12.0635 12.0635 k = 0.0000 0.0000 0.6311 ( 4078 PWs) bands (ev): -27.1592 -27.1592 -27.1357 -27.1357 -10.0806 -10.0806 -10.0349 -10.0349 -9.0491 -9.0491 -9.0378 -9.0378 -8.8248 -8.8248 -8.7617 -8.7617 -6.9471 -6.9471 -6.7706 -6.7706 -3.4597 -3.4597 -3.0783 -3.0783 2.6505 2.6505 2.8607 2.8607 3.4152 3.4152 3.6567 3.6567 3.7712 3.7712 4.5415 4.5415 5.3314 5.3314 5.6972 5.6972 6.4983 6.4983 6.5695 6.5695 9.3176 9.3176 10.2379 10.2379 10.3488 10.3488 12.0950 12.0950 k = 0.0000 0.0000 0.6492 ( 4078 PWs) bands (ev): -27.1592 -27.1592 -27.1357 -27.1357 -10.0806 -10.0806 -10.0354 -10.0354 -9.0492 -9.0492 -9.0386 -9.0386 -8.8244 -8.8244 -8.7616 -8.7616 -6.9482 -6.9482 -6.7673 -6.7673 -3.4626 -3.4626 -3.0773 -3.0773 2.6765 2.6765 2.8684 2.8684 3.4151 3.4151 3.6198 3.6198 3.7716 3.7716 4.5410 4.5410 5.3271 5.3271 5.6984 5.6984 6.4967 6.4967 6.5703 6.5703 9.3193 9.3193 10.2634 10.2634 10.3461 10.3461 12.1147 12.1147 k = 0.0000 0.0000 0.6672 ( 4080 PWs) bands (ev): -27.1592 -27.1592 -27.1357 -27.1357 -10.0807 -10.0807 -10.0356 -10.0356 -9.0493 -9.0493 -9.0389 -9.0389 -8.8243 -8.8243 -8.7616 -8.7616 -6.9485 -6.9485 -6.7661 -6.7661 -3.4636 -3.4636 -3.0770 -3.0770 2.6853 2.6853 2.8714 2.8714 3.4151 3.4151 3.6069 3.6069 3.7717 3.7717 4.5408 4.5408 5.3257 5.3257 5.6988 5.6988 6.4962 6.4962 6.5706 6.5706 9.3199 9.3199 10.2722 10.2722 10.3452 10.3452 12.1214 12.1214 k = 0.0000 0.0000 0.6672 ( 4080 PWs) bands (ev): -27.1592 -27.1592 -27.1357 -27.1357 -10.0807 -10.0807 -10.0356 -10.0356 -9.0493 -9.0493 -9.0389 -9.0389 -8.8243 -8.8243 -8.7616 -8.7616 -6.9485 -6.9485 -6.7661 -6.7661 -3.4636 -3.4636 -3.0770 -3.0770 2.6853 2.6853 2.8714 2.8714 3.4151 3.4151 3.6069 3.6069 3.7717 3.7717 4.5408 4.5408 5.3257 5.3257 5.6988 5.6988 6.4962 6.4962 6.5706 6.5706 9.3199 9.3199 10.2722 10.2722 10.3452 10.3452 12.1214 12.1214 k =-0.0133 0.0118 0.6672 ( 4082 PWs) bands (ev): -27.1592 -27.1592 -27.1357 -27.1357 -10.0807 -10.0807 -10.0356 -10.0356 -9.0494 -9.0494 -9.0388 -9.0388 -8.8242 -8.8242 -8.7617 -8.7617 -6.9483 -6.9483 -6.7662 -6.7662 -3.4629 -3.4629 -3.0769 -3.0769 2.6857 2.6857 2.8649 2.8649 3.4123 3.4123 3.6057 3.6057 3.7797 3.7797 4.5413 4.5413 5.3288 5.3288 5.7015 5.7015 6.4928 6.4928 6.5694 6.5694 9.3236 9.3236 10.2742 10.2742 10.3365 10.3365 12.1177 12.1177 k =-0.0267 0.0236 0.6672 ( 4090 PWs) bands (ev): -27.1591 -27.1591 -27.1357 -27.1357 -10.0809 -10.0809 -10.0356 -10.0356 -9.0499 -9.0499 -9.0387 -9.0387 -8.8241 -8.8241 -8.7621 -8.7621 -6.9476 -6.9476 -6.7664 -6.7664 -3.4610 -3.4610 -3.0765 -3.0765 2.6869 2.6869 2.8463 2.8463 3.4041 3.4041 3.6023 3.6023 3.8027 3.8027 4.5425 4.5425 5.3381 5.3381 5.7094 5.7094 6.4824 6.4824 6.5662 6.5662 9.3348 9.3348 10.2804 10.2804 10.3112 10.3112 12.1065 12.1065 k =-0.0400 0.0354 0.6672 ( 4090 PWs) bands (ev): -27.1591 -27.1591 -27.1358 -27.1358 -10.0812 -10.0812 -10.0355 -10.0355 -9.0507 -9.0507 -9.0385 -9.0385 -8.8238 -8.8238 -8.7627 -8.7627 -6.9465 -6.9465 -6.7667 -6.7667 -3.4577 -3.4577 -3.0758 -3.0758 2.6886 2.6886 2.8178 2.8178 3.3907 3.3907 3.5967 3.5967 3.8386 3.8386 4.5446 4.5446 5.3534 5.3534 5.7222 5.7222 6.4642 6.4642 6.5624 6.5624 9.3530 9.3530 10.2697 10.2697 10.2915 10.2915 12.0881 12.0881 k =-0.0534 0.0472 0.6672 ( 4086 PWs) bands (ev): -27.1590 -27.1590 -27.1358 -27.1358 -10.0816 -10.0816 -10.0355 -10.0355 -9.0517 -9.0517 -9.0381 -9.0381 -8.8235 -8.8235 -8.7636 -8.7636 -6.9450 -6.9450 -6.7671 -6.7671 -3.4532 -3.4532 -3.0749 -3.0749 2.6904 2.6904 2.7825 2.7825 3.3723 3.3723 3.5891 3.5891 3.8846 3.8846 4.5476 4.5476 5.3744 5.3744 5.7395 5.7395 6.4383 6.4383 6.5586 6.5586 9.3778 9.3778 10.2162 10.2162 10.3059 10.3059 12.0631 12.0631 k =-0.0667 0.0589 0.6672 ( 4076 PWs) bands (ev): -27.1589 -27.1589 -27.1359 -27.1359 -10.0821 -10.0821 -10.0354 -10.0354 -9.0531 -9.0531 -9.0377 -9.0377 -8.8230 -8.8230 -8.7648 -8.7648 -6.9430 -6.9430 -6.7676 -6.7676 -3.4474 -3.4474 -3.0738 -3.0738 2.6898 2.6898 2.7455 2.7455 3.3495 3.3495 3.5796 3.5796 3.9380 3.9380 4.5514 4.5514 5.4004 5.4004 5.7603 5.7603 6.4057 6.4057 6.5552 6.5552 9.4085 9.4085 10.1520 10.1520 10.3248 10.3248 12.0323 12.0323 k =-0.0801 0.0707 0.6672 ( 4072 PWs) bands (ev): -27.1588 -27.1588 -27.1360 -27.1360 -10.0827 -10.0827 -10.0353 -10.0353 -9.0548 -9.0548 -9.0373 -9.0373 -8.8225 -8.8225 -8.7661 -8.7661 -6.9406 -6.9406 -6.7682 -6.7682 -3.4404 -3.4404 -3.0725 -3.0725 2.6747 2.6747 2.7209 2.7209 3.3226 3.3226 3.5687 3.5687 3.9961 3.9961 4.5560 4.5560 5.4311 5.4311 5.7833 5.7833 6.3683 6.3683 6.5521 6.5521 9.4443 9.4443 10.0801 10.0801 10.3480 10.3480 11.9965 11.9965 k =-0.0934 0.0825 0.6672 ( 4080 PWs) bands (ev): -27.1587 -27.1587 -27.1361 -27.1361 -10.0835 -10.0835 -10.0352 -10.0352 -9.0567 -9.0567 -9.0367 -9.0367 -8.8218 -8.8218 -8.7676 -8.7676 -6.9379 -6.9379 -6.7689 -6.7689 -3.4322 -3.4322 -3.0711 -3.0711 2.6376 2.6376 2.7181 2.7181 3.2922 3.2922 3.5565 3.5565 4.0570 4.0570 4.5614 4.5614 5.4659 5.4659 5.8062 5.8062 6.3290 6.3290 6.5493 6.5493 9.4844 9.4844 10.0031 10.0031 10.3757 10.3757 11.9565 11.9565 k =-0.1067 0.0943 0.6672 ( 4076 PWs) bands (ev): -27.1586 -27.1586 -27.1362 -27.1362 -10.0843 -10.0843 -10.0352 -10.0352 -9.0589 -9.0589 -9.0361 -9.0361 -8.8210 -8.8210 -8.7692 -8.7692 -6.9348 -6.9348 -6.7697 -6.7697 -3.4230 -3.4230 -3.0696 -3.0696 2.5943 2.5943 2.7226 2.7226 3.2588 3.2588 3.5433 3.5433 4.1186 4.1186 4.5676 4.5676 5.5041 5.5041 5.8258 5.8258 6.2917 6.2917 6.5464 6.5464 9.5280 9.5280 9.9234 9.9234 10.4078 10.4078 11.9132 11.9132 k =-0.1201 0.1061 0.6672 ( 4062 PWs) bands (ev): -27.1585 -27.1585 -27.1363 -27.1363 -10.0853 -10.0853 -10.0351 -10.0351 -9.0613 -9.0613 -9.0354 -9.0354 -8.8201 -8.8201 -8.7710 -8.7710 -6.9314 -6.9314 -6.7707 -6.7707 -3.4127 -3.4127 -3.0681 -3.0681 2.5509 2.5509 2.7294 2.7294 3.2230 3.2230 3.5296 3.5296 4.1795 4.1795 4.5745 4.5745 5.5451 5.5451 5.8365 5.8365 6.2624 6.2624 6.5436 6.5436 9.5744 9.5744 9.8432 9.8432 10.4445 10.4445 11.8672 11.8672 k =-0.1334 0.1179 0.6672 ( 4062 PWs) bands (ev): -27.1583 -27.1583 -27.1365 -27.1365 -10.0864 -10.0864 -10.0350 -10.0350 -9.0639 -9.0639 -9.0347 -9.0347 -8.8190 -8.8190 -8.7729 -8.7729 -6.9278 -6.9278 -6.7717 -6.7717 -3.4015 -3.4015 -3.0665 -3.0665 2.5091 2.5091 2.7374 2.7374 3.1851 3.1851 3.5155 3.5155 4.2383 4.2383 4.5822 4.5822 5.5884 5.5884 5.8322 5.8322 6.2479 6.2479 6.5406 6.5406 9.6226 9.6226 9.7646 9.7646 10.4858 10.4858 11.8192 11.8192 k =-0.1468 0.1297 0.6672 ( 4070 PWs) bands (ev): -27.1581 -27.1581 -27.1366 -27.1366 -10.0875 -10.0875 -10.0350 -10.0350 -9.0667 -9.0667 -9.0340 -9.0340 -8.8179 -8.8179 -8.7749 -8.7749 -6.9238 -6.9238 -6.7728 -6.7728 -3.3894 -3.3894 -3.0650 -3.0650 2.4700 2.4700 2.7463 2.7463 3.1457 3.1457 3.5013 3.5013 4.2937 4.2937 4.5905 4.5905 5.6331 5.6331 5.8087 5.8087 6.2529 6.2529 6.5375 6.5375 9.6720 9.6720 9.6894 9.6894 10.5318 10.5318 11.7699 11.7699 k =-0.1601 0.1415 0.6672 ( 4080 PWs) bands (ev): -27.1580 -27.1580 -27.1368 -27.1368 -10.0888 -10.0888 -10.0350 -10.0350 -9.0697 -9.0697 -9.0333 -9.0333 -8.8165 -8.8165 -8.7769 -8.7769 -6.9197 -6.9197 -6.7740 -6.7740 -3.3765 -3.3765 -3.0636 -3.0636 2.4341 2.4341 2.7560 2.7560 3.1052 3.1052 3.4875 3.4875 4.3444 4.3444 4.5995 4.5995 5.6777 5.6777 5.7679 5.7679 6.2769 6.2769 6.5344 6.5344 9.6190 9.6190 9.7222 9.7222 10.5826 10.5826 11.7195 11.7195 k =-0.1735 0.1533 0.6672 ( 4082 PWs) bands (ev): -27.1578 -27.1578 -27.1369 -27.1369 -10.0902 -10.0902 -10.0350 -10.0350 -9.0728 -9.0728 -9.0325 -9.0325 -8.8151 -8.8151 -8.7789 -8.7789 -6.9154 -6.9154 -6.7752 -6.7752 -3.3629 -3.3629 -3.0623 -3.0623 2.4019 2.4019 2.7664 2.7664 3.0640 3.0640 3.4741 3.4741 4.3894 4.3894 4.6090 4.6090 5.6966 5.6966 5.7395 5.7395 6.3156 6.3156 6.5312 6.5312 9.5550 9.5550 9.7723 9.7723 10.6382 10.6382 11.6687 11.6687 k =-0.1868 0.1651 0.6672 ( 4084 PWs) bands (ev): -27.1576 -27.1576 -27.1371 -27.1371 -10.0917 -10.0917 -10.0351 -10.0351 -9.0760 -9.0760 -9.0318 -9.0318 -8.8136 -8.8136 -8.7808 -8.7808 -6.9110 -6.9110 -6.7765 -6.7765 -3.3487 -3.3487 -3.0612 -3.0612 2.3739 2.3739 2.7773 2.7773 3.0223 3.0223 3.4615 3.4615 4.4278 4.4278 4.6191 4.6191 5.6380 5.6380 5.7794 5.7794 6.3644 6.3644 6.5283 6.5283 9.4988 9.4988 9.8221 9.8221 10.6985 10.6985 11.6175 11.6175 k =-0.2001 0.1768 0.6672 ( 4080 PWs) bands (ev): -27.1574 -27.1574 -27.1373 -27.1373 -10.0932 -10.0932 -10.0352 -10.0352 -9.0794 -9.0794 -9.0310 -9.0310 -8.8119 -8.8119 -8.7827 -8.7827 -6.9064 -6.9064 -6.7779 -6.7779 -3.3340 -3.3340 -3.0603 -3.0603 2.3502 2.3502 2.7887 2.7887 2.9807 2.9807 3.4499 3.4499 4.4586 4.4586 4.6296 4.6296 5.5662 5.5662 5.8261 5.8261 6.4192 6.4192 6.5263 6.5263 9.4513 9.4513 9.8711 9.8711 10.7634 10.7634 11.5664 11.5664 k =-0.2135 0.1886 0.6672 ( 4088 PWs) bands (ev): -27.1572 -27.1572 -27.1375 -27.1375 -10.0948 -10.0948 -10.0353 -10.0353 -9.0827 -9.0827 -9.0303 -9.0303 -8.8101 -8.8101 -8.7845 -8.7845 -6.9018 -6.9018 -6.7793 -6.7793 -3.3189 -3.3189 -3.0596 -3.0596 2.3311 2.3311 2.8005 2.8005 2.9393 2.9393 3.4396 3.4396 4.4812 4.4812 4.6404 4.6404 5.4897 5.4897 5.8733 5.8733 6.4737 6.4737 6.5297 6.5297 9.4136 9.4136 9.9191 9.9191 10.8328 10.8328 11.5154 11.5154 k =-0.2268 0.2004 0.6672 ( 4084 PWs) bands (ev): -27.1570 -27.1570 -27.1377 -27.1377 -10.0965 -10.0965 -10.0355 -10.0355 -9.0861 -9.0861 -9.0297 -9.0297 -8.8083 -8.8083 -8.7862 -8.7862 -6.8972 -6.8972 -6.7808 -6.7808 -3.3036 -3.3036 -3.0593 -3.0593 2.3169 2.3169 2.8124 2.8124 2.8985 2.8985 3.4306 3.4306 4.4950 4.4950 4.6515 4.6515 5.4105 5.4105 5.9199 5.9199 6.5011 6.5011 6.5637 6.5637 9.3862 9.3862 9.9658 9.9658 10.9065 10.9065 11.4527 11.4527 k =-0.2402 0.2122 0.6672 ( 4088 PWs) bands (ev): -27.1567 -27.1567 -27.1379 -27.1379 -10.0983 -10.0983 -10.0357 -10.0357 -9.0896 -9.0896 -9.0291 -9.0291 -8.8063 -8.8063 -8.7878 -8.7878 -6.8926 -6.8926 -6.7823 -6.7823 -3.2880 -3.2880 -3.0592 -3.0592 2.3076 2.3076 2.8240 2.8240 2.8591 2.8591 3.4231 3.4231 4.4996 4.4996 4.6627 4.6627 5.3298 5.3298 5.9656 5.9656 6.5028 6.5028 6.6260 6.6260 9.3697 9.3697 10.0112 10.0112 10.9842 10.9842 11.3591 11.3591 k =-0.2535 0.2240 0.6672 ( 4092 PWs) bands (ev): -27.1565 -27.1565 -27.1381 -27.1381 -10.1001 -10.1001 -10.0360 -10.0360 -9.0930 -9.0930 -9.0285 -9.0285 -8.8043 -8.8043 -8.7892 -8.7892 -6.8880 -6.8880 -6.7838 -6.7838 -3.2724 -3.2724 -3.0594 -3.0594 2.3032 2.3032 2.8159 2.8159 2.8405 2.8405 3.4174 3.4174 4.4948 4.4948 4.6740 4.6740 5.2483 5.2483 6.0102 6.0102 6.5000 6.5000 6.6945 6.6945 9.3642 9.3642 10.0551 10.0551 11.0655 11.0655 11.2674 11.2674 k =-0.2669 0.2358 0.6672 ( 4104 PWs) bands (ev): -27.1563 -27.1563 -27.1383 -27.1383 -10.1019 -10.1019 -10.0363 -10.0363 -9.0963 -9.0963 -9.0280 -9.0280 -8.8023 -8.8023 -8.7904 -8.7904 -6.8835 -6.8835 -6.7852 -6.7852 -3.2569 -3.2569 -3.0600 -3.0600 2.3039 2.3039 2.7792 2.7792 2.8516 2.8516 3.4135 3.4135 4.4807 4.4807 4.6854 4.6854 5.1667 5.1667 6.0532 6.0532 6.4961 6.4961 6.7653 6.7653 9.3696 9.3696 10.0974 10.0974 11.1488 11.1488 11.1796 11.1796 k =-0.2802 0.2476 0.6672 ( 4108 PWs) bands (ev): -27.1561 -27.1561 -27.1385 -27.1385 -10.1037 -10.1037 -10.0367 -10.0367 -9.0996 -9.0996 -9.0276 -9.0276 -8.8002 -8.8002 -8.7915 -8.7915 -6.8791 -6.8791 -6.7867 -6.7867 -3.2415 -3.2415 -3.0608 -3.0608 2.3096 2.3096 2.7426 2.7426 2.8642 2.8642 3.4115 3.4115 4.4575 4.4575 4.6966 4.6966 5.0856 5.0856 6.0946 6.0946 6.4918 6.4918 6.8371 6.8371 9.3858 9.3858 10.1381 10.1381 11.0920 11.0920 11.2379 11.2379 k =-0.2935 0.2594 0.6672 ( 4108 PWs) bands (ev): -27.1559 -27.1559 -27.1387 -27.1387 -10.1055 -10.1055 -10.0371 -10.0371 -9.1028 -9.1028 -9.0272 -9.0272 -8.7982 -8.7982 -8.7923 -8.7923 -6.8749 -6.8749 -6.7882 -6.7882 -3.2265 -3.2265 -3.0618 -3.0618 2.3203 2.3203 2.7071 2.7071 2.8769 2.8769 3.4115 3.4115 4.4256 4.4256 4.7078 4.7078 5.0054 5.0054 6.1342 6.1342 6.4873 6.4873 6.9091 6.9091 9.4121 9.4121 10.1772 10.1772 11.0097 11.0097 11.2220 11.2220 k =-0.3069 0.2712 0.6672 ( 4112 PWs) bands (ev): -27.1557 -27.1557 -27.1389 -27.1389 -10.1074 -10.1074 -10.0375 -10.0375 -9.1058 -9.1058 -9.0269 -9.0269 -8.7963 -8.7963 -8.7928 -8.7928 -6.8708 -6.8708 -6.7896 -6.7896 -3.2118 -3.2118 -3.0631 -3.0631 2.3358 2.3358 2.6733 2.6733 2.8896 2.8896 3.4135 3.4135 4.3855 4.3855 4.7187 4.7187 4.9265 4.9265 6.1717 6.1717 6.4828 6.4828 6.9807 6.9807 9.4479 9.4479 10.2147 10.2147 10.9311 10.9311 11.1750 11.1750 k =-0.3202 0.2829 0.6672 ( 4102 PWs) bands (ev): -27.1555 -27.1555 -27.1390 -27.1390 -10.1092 -10.1092 -10.0380 -10.0380 -9.1088 -9.1088 -9.0267 -9.0267 -8.7950 -8.7950 -8.7926 -8.7926 -6.8670 -6.8670 -6.7909 -6.7909 -3.1976 -3.1976 -3.0645 -3.0645 2.3559 2.3559 2.6411 2.6411 2.9023 2.9023 3.4176 3.4176 4.3381 4.3381 4.7293 4.7293 4.8493 4.8493 6.2071 6.2071 6.4782 6.4782 7.0515 7.0515 9.4923 9.4923 10.2503 10.2503 10.8564 10.8564 11.1285 11.1285 k =-0.3202 0.2829 0.6672 ( 4102 PWs) bands (ev): -27.1555 -27.1555 -27.1390 -27.1390 -10.1092 -10.1092 -10.0380 -10.0380 -9.1088 -9.1088 -9.0267 -9.0267 -8.7950 -8.7950 -8.7926 -8.7926 -6.8670 -6.8670 -6.7909 -6.7909 -3.1976 -3.1976 -3.0645 -3.0645 2.3559 2.3559 2.6411 2.6411 2.9023 2.9023 3.4176 3.4176 4.3381 4.3381 4.7293 4.7293 4.8493 4.8493 6.2071 6.2071 6.4782 6.4782 7.0515 7.0515 9.4923 9.4923 10.2503 10.2503 10.8564 10.8564 11.1285 11.1285 k =-0.3292 0.2909 0.6552 ( 4107 PWs) bands (ev): -27.1553 -27.1553 -27.1392 -27.1392 -10.1103 -10.1103 -10.0383 -10.0383 -9.1106 -9.1106 -9.0265 -9.0265 -8.7948 -8.7948 -8.7918 -8.7918 -6.8645 -6.8645 -6.7919 -6.7919 -3.1887 -3.1887 -3.0654 -3.0654 2.3709 2.3709 2.6209 2.6209 2.9063 2.9063 3.4276 3.4276 4.3020 4.3020 4.7359 4.7359 4.8002 4.8002 6.2296 6.2296 6.4748 6.4748 7.0972 7.0972 9.5263 9.5263 10.2684 10.2684 10.8098 10.8098 11.1002 11.1002 k =-0.3382 0.2988 0.6432 ( 4105 PWs) bands (ev): -27.1552 -27.1552 -27.1393 -27.1393 -10.1114 -10.1114 -10.0385 -10.0385 -9.1123 -9.1123 -9.0263 -9.0263 -8.7949 -8.7949 -8.7908 -8.7908 -6.8621 -6.8621 -6.7931 -6.7931 -3.1804 -3.1804 -3.0660 -3.0660 2.3857 2.3857 2.6027 2.6027 2.9024 2.9024 3.4495 3.4495 4.2623 4.2623 4.7400 4.7400 4.7577 4.7577 6.2512 6.2512 6.4706 6.4706 7.1396 7.1396 9.5630 9.5630 10.2754 10.2754 10.7678 10.7678 11.0784 11.0784 k =-0.3472 0.3068 0.6312 ( 4105 PWs) bands (ev): -27.1551 -27.1551 -27.1393 -27.1393 -10.1123 -10.1123 -10.0387 -10.0387 -9.1138 -9.1138 -9.0261 -9.0261 -8.7950 -8.7950 -8.7898 -8.7898 -6.8598 -6.8598 -6.7944 -6.7944 -3.1731 -3.1731 -3.0664 -3.0664 2.4000 2.4000 2.5864 2.5864 2.8925 2.8925 3.4815 3.4815 4.2190 4.2190 4.7137 4.7137 4.7502 4.7502 6.2716 6.2716 6.4656 6.4656 7.1785 7.1785 9.6017 9.6017 10.2717 10.2717 10.7305 10.7305 11.0629 11.0629 k =-0.3562 0.3147 0.6192 ( 4103 PWs) bands (ev): -27.1550 -27.1550 -27.1394 -27.1394 -10.1132 -10.1132 -10.0389 -10.0389 -9.1151 -9.1151 -9.0258 -9.0258 -8.7952 -8.7952 -8.7889 -8.7889 -6.8577 -6.8577 -6.7958 -6.7958 -3.1667 -3.1667 -3.0666 -3.0666 2.4135 2.4135 2.5721 2.5721 2.8792 2.8792 3.5212 3.5212 4.1724 4.1724 4.6798 4.6798 4.7547 4.7547 6.2908 6.2908 6.4599 6.4599 7.2132 7.2132 9.6417 9.6417 10.2586 10.2586 10.6980 10.6980 11.0531 11.0531 k =-0.3652 0.3227 0.6072 ( 4101 PWs) bands (ev): -27.1550 -27.1550 -27.1395 -27.1395 -10.1139 -10.1139 -10.0390 -10.0390 -9.1162 -9.1162 -9.0256 -9.0256 -8.7953 -8.7953 -8.7882 -8.7882 -6.8559 -6.8559 -6.7971 -6.7971 -3.1613 -3.1613 -3.0665 -3.0665 2.4259 2.4259 2.5600 2.5600 2.8644 2.8644 3.5666 3.5666 4.1230 4.1230 4.6509 4.6509 4.7591 4.7591 6.3086 6.3086 6.4536 6.4536 7.2433 7.2433 9.6822 9.6822 10.2380 10.2380 10.6704 10.6704 11.0476 11.0476 k =-0.3742 0.3306 0.5952 ( 4097 PWs) bands (ev): -27.1549 -27.1549 -27.1396 -27.1396 -10.1145 -10.1145 -10.0391 -10.0391 -9.1171 -9.1171 -9.0254 -9.0254 -8.7955 -8.7955 -8.7875 -8.7875 -6.8542 -6.8542 -6.7983 -6.7983 -3.1570 -3.1570 -3.0663 -3.0663 2.4370 2.4370 2.5501 2.5501 2.8501 2.8501 3.6158 3.6158 4.0713 4.0713 4.6273 4.6273 4.7628 4.7628 6.3249 6.3249 6.4467 6.4467 7.2686 7.2686 9.7218 9.7218 10.2125 10.2125 10.6477 10.6477 11.0451 11.0451 k =-0.3832 0.3385 0.5833 ( 4103 PWs) bands (ev): -27.1549 -27.1549 -27.1396 -27.1396 -10.1150 -10.1150 -10.0391 -10.0391 -9.1178 -9.1178 -9.0253 -9.0253 -8.7955 -8.7955 -8.7870 -8.7870 -6.8529 -6.8529 -6.7993 -6.7993 -3.1537 -3.1537 -3.0660 -3.0660 2.4461 2.4461 2.5423 2.5423 2.8375 2.8375 3.6676 3.6676 4.0181 4.0181 4.6090 4.6090 4.7658 4.7658 6.3394 6.3394 6.4396 6.4396 7.2887 7.2887 9.7588 9.7588 10.1852 10.1852 10.6300 10.6300 11.0444 11.0444 k =-0.3921 0.3465 0.5713 ( 4112 PWs) bands (ev): -27.1548 -27.1548 -27.1396 -27.1396 -10.1154 -10.1154 -10.0392 -10.0392 -9.1183 -9.1183 -9.0252 -9.0252 -8.7956 -8.7956 -8.7867 -8.7867 -6.8519 -6.8519 -6.8001 -6.8001 -3.1514 -3.1514 -3.0657 -3.0657 2.4531 2.4531 2.5367 2.5367 2.8277 2.8277 3.7201 3.7201 3.9647 3.9647 4.5960 4.5960 4.7679 4.7679 6.3514 6.3514 6.4329 6.4329 7.3032 7.3032 9.7903 9.7903 10.1599 10.1599 10.6174 10.6174 11.0445 11.0445 k =-0.4011 0.3544 0.5593 ( 4108 PWs) bands (ev): -27.1548 -27.1548 -27.1396 -27.1396 -10.1156 -10.1156 -10.0392 -10.0392 -9.1186 -9.1186 -9.0251 -9.0251 -8.7957 -8.7957 -8.7865 -8.7865 -6.8513 -6.8513 -6.8006 -6.8006 -3.1500 -3.1500 -3.0655 -3.0655 2.4574 2.4574 2.5334 2.5334 2.8216 2.8216 3.7697 3.7697 3.9146 3.9146 4.5882 4.5882 4.7693 4.7693 6.3597 6.3597 6.4278 6.4278 7.3120 7.3120 9.8123 9.8123 10.1412 10.1412 10.6098 10.6098 11.0448 11.0448 k =-0.4101 0.3624 0.5473 ( 4102 PWs) bands (ev): -27.1548 -27.1548 -27.1397 -27.1397 -10.1157 -10.1157 -10.0392 -10.0392 -9.1187 -9.1187 -9.0251 -9.0251 -8.7957 -8.7957 -8.7864 -8.7864 -6.8511 -6.8511 -6.8008 -6.8008 -3.1495 -3.1495 -3.0654 -3.0654 2.4589 2.4589 2.5323 2.5323 2.8195 2.8195 3.7977 3.7977 3.8865 3.8865 4.5856 4.5856 4.7697 4.7697 6.3628 6.3628 6.4258 6.4258 7.3150 7.3150 9.8203 9.8203 10.1343 10.1343 10.6072 10.6072 11.0449 11.0449 k =-0.4101 0.3624 0.5473 ( 4102 PWs) bands (ev): -27.1548 -27.1548 -27.1397 -27.1397 -10.1157 -10.1157 -10.0392 -10.0392 -9.1187 -9.1187 -9.0251 -9.0251 -8.7957 -8.7957 -8.7864 -8.7864 -6.8511 -6.8511 -6.8008 -6.8008 -3.1495 -3.1495 -3.0654 -3.0654 2.4589 2.4589 2.5323 2.5323 2.8195 2.8195 3.7977 3.7977 3.8865 3.8865 4.5856 4.5856 4.7697 4.7697 6.3628 6.3628 6.4258 6.4258 7.3150 7.3150 9.8203 9.8203 10.1343 10.1343 10.6072 10.6072 11.0449 11.0449 k =-0.4006 0.3539 0.5345 ( 4106 PWs) bands (ev): -27.1550 -27.1550 -27.1395 -27.1395 -10.1141 -10.1141 -10.0384 -10.0384 -9.1163 -9.1163 -9.0245 -9.0245 -8.7960 -8.7960 -8.7884 -8.7884 -6.8526 -6.8526 -6.8022 -6.8022 -3.1597 -3.1597 -3.0627 -3.0627 2.4121 2.4121 2.5564 2.5564 2.7806 2.7806 3.8414 3.8414 3.9354 3.9354 4.6576 4.6576 4.7615 4.7615 6.3458 6.3458 6.4222 6.4222 7.2545 7.2545 9.7649 9.7649 10.0621 10.0621 10.6653 10.6653 11.0951 11.0951 k =-0.3910 0.3455 0.5218 ( 4106 PWs) bands (ev): -27.1552 -27.1552 -27.1393 -27.1393 -10.1125 -10.1125 -10.0375 -10.0375 -9.1138 -9.1138 -9.0239 -9.0239 -8.7963 -8.7963 -8.7905 -8.7905 -6.8541 -6.8541 -6.8042 -6.8042 -3.1704 -3.1704 -3.0597 -3.0597 2.3656 2.3656 2.5826 2.5826 2.7418 2.7418 3.8876 3.8876 3.9848 3.9848 4.7305 4.7305 4.7546 4.7546 6.3273 6.3273 6.4183 6.4183 7.1910 7.1910 9.7115 9.7115 9.9872 9.9872 10.7287 10.7287 11.1347 11.1347 k =-0.3815 0.3371 0.5091 ( 4118 PWs) bands (ev): -27.1554 -27.1554 -27.1391 -27.1391 -10.1108 -10.1108 -10.0365 -10.0365 -9.1111 -9.1111 -9.0231 -9.0231 -8.7967 -8.7967 -8.7927 -8.7927 -6.8555 -6.8555 -6.8069 -6.8069 -3.1815 -3.1815 -3.0565 -3.0565 2.3199 2.3199 2.6106 2.6106 2.7033 2.7033 3.9359 3.9359 4.0342 4.0342 4.7425 4.7425 4.8103 4.8103 6.3075 6.3075 6.4141 6.4141 7.1250 7.1250 9.6605 9.6605 9.9106 9.9106 10.7971 10.7971 11.1578 11.1578 k =-0.3720 0.3287 0.4964 ( 4114 PWs) bands (ev): -27.1556 -27.1556 -27.1389 -27.1389 -10.1090 -10.1090 -10.0354 -10.0354 -9.1081 -9.1081 -9.0221 -9.0221 -8.7974 -8.7974 -8.7946 -8.7946 -6.8568 -6.8568 -6.8103 -6.8103 -3.1929 -3.1929 -3.0532 -3.0532 2.2753 2.2753 2.6400 2.6400 2.6655 2.6655 3.9857 3.9857 4.0834 4.0834 4.7336 4.7336 4.8882 4.8882 6.2865 6.2865 6.4097 6.4097 7.0569 7.0569 9.6119 9.6119 9.8333 9.8333 10.8704 10.8704 11.1580 11.1580 k =-0.3624 0.3202 0.4836 ( 4110 PWs) bands (ev): -27.1558 -27.1558 -27.1387 -27.1387 -10.1072 -10.1072 -10.0342 -10.0342 -9.1050 -9.1050 -9.0209 -9.0209 -8.7990 -8.7990 -8.7958 -8.7958 -6.8578 -6.8578 -6.8145 -6.8145 -3.2042 -3.2042 -3.0499 -3.0499 2.2323 2.2323 2.6268 2.6268 2.6725 2.6725 4.0366 4.0366 4.1321 4.1321 4.7243 4.7243 4.9676 4.9676 6.2644 6.2644 6.4049 6.4049 6.9873 6.9873 9.5662 9.5662 9.7564 9.7564 10.9484 10.9484 11.1328 11.1328 k =-0.3529 0.3118 0.4709 ( 4106 PWs) bands (ev): -27.1561 -27.1561 -27.1385 -27.1385 -10.1054 -10.1054 -10.0329 -10.0329 -9.1018 -9.1018 -9.0196 -9.0196 -8.8015 -8.8015 -8.7962 -8.7962 -6.8586 -6.8586 -6.8197 -6.8197 -3.2154 -3.2154 -3.0467 -3.0467 2.1912 2.1912 2.5899 2.5899 2.7053 2.7053 4.0881 4.0881 4.1798 4.1798 4.7150 4.7150 5.0479 5.0479 6.2414 6.2414 6.3999 6.3999 6.9164 6.9164 9.5235 9.5235 9.6808 9.6808 11.0309 11.0309 11.0852 11.0852 k =-0.3434 0.3034 0.4582 ( 4098 PWs) bands (ev): -27.1563 -27.1563 -27.1383 -27.1383 -10.1035 -10.1035 -10.0314 -10.0314 -9.0984 -9.0984 -9.0179 -9.0179 -8.8042 -8.8042 -8.7963 -8.7963 -6.8590 -6.8590 -6.8259 -6.8259 -3.2263 -3.2263 -3.0437 -3.0437 2.1522 2.1522 2.5536 2.5536 2.7394 2.7394 4.1396 4.1396 4.2264 4.2264 4.7056 4.7056 5.1289 5.1289 6.2178 6.2178 6.3946 6.3946 6.8446 6.8446 9.4839 9.4839 9.6075 9.6075 11.0217 11.0217 11.1177 11.1177 k =-0.3338 0.2949 0.4455 ( 4098 PWs) bands (ev): -27.1566 -27.1566 -27.1381 -27.1381 -10.1017 -10.1017 -10.0298 -10.0298 -9.0949 -9.0949 -9.0161 -9.0161 -8.8072 -8.8072 -8.7963 -8.7963 -6.8592 -6.8592 -6.8332 -6.8332 -3.2367 -3.2367 -3.0411 -3.0411 2.1156 2.1156 2.5181 2.5181 2.7747 2.7747 4.1905 4.1905 4.2714 4.2714 4.6965 4.6965 5.2104 5.2104 6.1936 6.1936 6.3891 6.3891 6.7722 6.7722 9.4478 9.4478 9.5373 9.5373 10.9483 10.9483 11.2085 11.2085 k =-0.3243 0.2865 0.4327 ( 4092 PWs) bands (ev): -27.1569 -27.1569 -27.1378 -27.1378 -10.0998 -10.0998 -10.0281 -10.0281 -9.0913 -9.0913 -9.0140 -9.0140 -8.8102 -8.8102 -8.7963 -8.7963 -6.8590 -6.8590 -6.8414 -6.8414 -3.2466 -3.2466 -3.0388 -3.0388 2.0815 2.0815 2.4837 2.4837 2.8108 2.8108 4.2400 4.2400 4.3146 4.3146 4.6876 4.6876 5.2921 5.2921 6.1692 6.1692 6.3834 6.3834 6.6994 6.6994 9.4150 9.4150 9.4713 9.4713 10.8692 10.8692 11.3028 11.3028 k =-0.3147 0.2781 0.4200 ( 4084 PWs) bands (ev): -27.1571 -27.1571 -27.1376 -27.1376 -10.0980 -10.0980 -10.0263 -10.0263 -9.0875 -9.0875 -9.0116 -9.0116 -8.8133 -8.8133 -8.7961 -8.7961 -6.8593 -6.8593 -6.8500 -6.8500 -3.2558 -3.2558 -3.0370 -3.0370 2.0502 2.0502 2.4503 2.4503 2.8476 2.8476 4.2877 4.2877 4.3555 4.3555 4.6790 4.6790 5.3742 5.3742 6.1448 6.1448 6.3774 6.3774 6.6265 6.6265 9.3853 9.3853 9.4108 9.4108 10.7872 10.7872 11.3588 11.3588 k =-0.3052 0.2697 0.4073 ( 4088 PWs) bands (ev): -27.1574 -27.1574 -27.1373 -27.1373 -10.0963 -10.0963 -10.0243 -10.0243 -9.0838 -9.0838 -9.0089 -9.0089 -8.8165 -8.8165 -8.7959 -8.7959 -6.8647 -6.8647 -6.8541 -6.8541 -3.2643 -3.2643 -3.0357 -3.0357 2.0218 2.0218 2.4182 2.4182 2.8848 2.8848 4.3327 4.3327 4.3937 4.3937 4.6709 4.6709 5.4564 5.4564 6.1206 6.1206 6.3711 6.3711 6.5537 6.5537 9.3496 9.3496 9.3658 9.3658 10.7042 10.7042 11.3357 11.3357 k =-0.2957 0.2612 0.3945 ( 4080 PWs) bands (ev): -27.1577 -27.1577 -27.1370 -27.1370 -10.0946 -10.0946 -10.0222 -10.0222 -9.0800 -9.0800 -9.0059 -9.0059 -8.8198 -8.8198 -8.7955 -8.7955 -6.8760 -6.8760 -6.8531 -6.8531 -3.2720 -3.2720 -3.0351 -3.0351 1.9964 1.9964 2.3874 2.3874 2.9223 2.9223 4.3743 4.3743 4.4290 4.4290 4.6632 4.6632 5.5387 5.5387 6.0971 6.0971 6.3645 6.3645 6.4814 6.4814 9.3021 9.3021 9.3427 9.3427 10.6213 10.6213 11.3178 11.3178 k =-0.2861 0.2528 0.3818 ( 4074 PWs) bands (ev): -27.1580 -27.1580 -27.1368 -27.1368 -10.0930 -10.0930 -10.0200 -10.0200 -9.0761 -9.0761 -9.0026 -9.0026 -8.8231 -8.8231 -8.7951 -8.7951 -6.8893 -6.8893 -6.8507 -6.8507 -3.2788 -3.2788 -3.0351 -3.0351 1.9741 1.9741 2.3582 2.3582 2.9596 2.9596 4.4120 4.4120 4.4610 4.4610 4.6562 4.6562 5.6212 5.6212 6.0743 6.0743 6.3566 6.3566 6.4106 6.4106 9.2594 9.2594 9.3256 9.3256 10.5396 10.5396 11.3055 11.3055 k =-0.2766 0.2444 0.3691 ( 4076 PWs) bands (ev): -27.1583 -27.1583 -27.1365 -27.1365 -10.0914 -10.0914 -10.0176 -10.0176 -9.0723 -9.0723 -8.9989 -8.9989 -8.8264 -8.8264 -8.7946 -8.7946 -6.9040 -6.9040 -6.8475 -6.8475 -3.2847 -3.2847 -3.0360 -3.0360 1.9551 1.9551 2.3306 2.3306 2.9967 2.9967 4.4450 4.4450 4.4891 4.4891 4.6497 4.6497 5.7039 5.7039 6.0528 6.0528 6.3299 6.3299 6.3592 6.3592 9.2238 9.2238 9.3128 9.3128 10.4598 10.4598 11.2986 11.2986 k =-0.2671 0.2360 0.3564 ( 4076 PWs) bands (ev): -27.1587 -27.1587 -27.1362 -27.1362 -10.0900 -10.0900 -10.0151 -10.0151 -9.0685 -9.0685 -8.9950 -8.9950 -8.8298 -8.8298 -8.7941 -8.7941 -6.9200 -6.9200 -6.8436 -6.8436 -3.2897 -3.2897 -3.0376 -3.0376 1.9395 1.9395 2.3048 2.3048 3.0331 3.0331 4.4729 4.4729 4.5130 4.5130 4.6440 4.6440 5.7865 5.7865 6.0327 6.0327 6.2638 6.2638 6.3481 6.3481 9.1957 9.1957 9.3041 9.3041 10.3822 10.3822 11.2972 11.2972 k =-0.2575 0.2275 0.3436 ( 4078 PWs) bands (ev): -27.1590 -27.1590 -27.1359 -27.1359 -10.0886 -10.0886 -10.0125 -10.0125 -9.0647 -9.0647 -8.9907 -8.9907 -8.8331 -8.8331 -8.7935 -8.7935 -6.9373 -6.9373 -6.8389 -6.8389 -3.2939 -3.2939 -3.0401 -3.0401 1.9273 1.9273 2.2809 2.2809 3.0688 3.0688 4.4952 4.4952 4.5323 4.5323 4.6390 4.6390 5.8688 5.8688 6.0147 6.0147 6.1952 6.1952 6.3408 6.3408 9.1757 9.1757 9.2994 9.2994 10.3075 10.3075 11.3009 11.3009 k =-0.2480 0.2191 0.3309 ( 4082 PWs) bands (ev): -27.1593 -27.1593 -27.1357 -27.1357 -10.0873 -10.0873 -10.0098 -10.0098 -9.0610 -9.0610 -8.9860 -8.9860 -8.8365 -8.8365 -8.7927 -8.7927 -6.9557 -6.9557 -6.8336 -6.8336 -3.2972 -3.2972 -3.0435 -3.0435 1.9186 1.9186 2.2590 2.2590 3.1033 3.1033 4.5114 4.5114 4.5465 4.5465 4.6348 4.6348 5.9486 5.9486 6.0008 6.0008 6.1281 6.1281 6.3338 6.3338 9.1638 9.1638 9.2985 9.2985 10.2359 10.2359 11.3098 11.3098 k =-0.2384 0.2107 0.3182 ( 4080 PWs) bands (ev): -27.1596 -27.1596 -27.1354 -27.1354 -10.0861 -10.0861 -10.0070 -10.0070 -9.0573 -9.0573 -8.9811 -8.9811 -8.8398 -8.8398 -8.7920 -8.7920 -6.9752 -6.9752 -6.8275 -6.8275 -3.2996 -3.2996 -3.0478 -3.0478 1.9133 1.9133 2.2393 2.2393 3.1365 3.1365 4.5215 4.5215 4.5555 4.5555 4.6311 4.6311 5.9785 5.9785 6.0365 6.0365 6.0652 6.0652 6.3270 6.3270 9.1603 9.1603 9.3013 9.3013 10.1678 10.1678 11.3236 11.3236 k =-0.2289 0.2022 0.3055 ( 4084 PWs) bands (ev): -27.1599 -27.1599 -27.1351 -27.1351 -10.0850 -10.0850 -10.0041 -10.0041 -9.0538 -9.0538 -8.9758 -8.9758 -8.8431 -8.8431 -8.7911 -8.7911 -6.9957 -6.9957 -6.8207 -6.8207 -3.3013 -3.3013 -3.0531 -3.0531 1.9117 1.9117 2.2219 2.2219 3.1681 3.1681 4.5255 4.5255 4.5588 4.5588 4.6279 4.6279 5.9676 5.9676 6.0003 6.0003 6.1193 6.1193 6.3206 6.3206 9.1650 9.1650 9.3075 9.3075 10.1035 10.1035 11.3422 11.3422 k =-0.2194 0.1938 0.2927 ( 4088 PWs) bands (ev): -27.1602 -27.1602 -27.1348 -27.1348 -10.0840 -10.0840 -10.0011 -10.0011 -9.0504 -9.0504 -8.9702 -8.9702 -8.8463 -8.8463 -8.7902 -8.7902 -7.0172 -7.0172 -6.8132 -6.8132 -3.3022 -3.3022 -3.0593 -3.0593 1.9136 1.9136 2.2069 2.2069 3.1979 3.1979 4.5233 4.5233 4.5563 4.5563 4.6249 4.6249 5.9359 5.9359 5.9637 5.9637 6.1985 6.1985 6.3152 6.3152 9.1781 9.1781 9.3168 9.3168 10.0433 10.0433 11.3654 11.3654 k =-0.2098 0.1854 0.2800 ( 4076 PWs) bands (ev): -27.1605 -27.1605 -27.1346 -27.1346 -10.0831 -10.0831 -9.9981 -9.9981 -9.0471 -9.0471 -8.9643 -8.9643 -8.8495 -8.8495 -8.7893 -8.7893 -7.0394 -7.0394 -6.8051 -6.8051 -3.3025 -3.3025 -3.0664 -3.0664 1.9190 1.9190 2.1945 2.1945 3.2258 3.2258 4.5151 4.5151 4.5477 4.5477 4.6219 4.6219 5.8814 5.8814 5.9559 5.9559 6.2698 6.2698 6.3169 6.3169 9.1991 9.1991 9.3289 9.3289 9.9876 9.9876 11.3930 11.3930 k =-0.2003 0.1770 0.2673 ( 4071 PWs) bands (ev): -27.1608 -27.1608 -27.1343 -27.1343 -10.0823 -10.0823 -9.9950 -9.9950 -9.0440 -9.0440 -8.9582 -8.9582 -8.8526 -8.8526 -8.7883 -8.7883 -7.0622 -7.0622 -6.7964 -6.7964 -3.3021 -3.3021 -3.0745 -3.0745 1.9280 1.9280 2.1846 2.1846 3.2516 3.2516 4.5010 4.5010 4.5329 4.5329 4.6192 4.6192 5.8294 5.8294 5.9522 5.9522 6.2908 6.2908 6.3678 6.3678 9.2279 9.2279 9.3433 9.3433 9.9368 9.9368 11.4249 11.4249 k =-0.1908 0.1685 0.2545 ( 4079 PWs) bands (ev): -27.1611 -27.1611 -27.1340 -27.1340 -10.0816 -10.0816 -9.9919 -9.9919 -9.0410 -9.0410 -8.9518 -8.9518 -8.8556 -8.8556 -8.7872 -8.7872 -7.0856 -7.0856 -6.7870 -6.7870 -3.3012 -3.3012 -3.0834 -3.0834 1.9404 1.9404 2.1773 2.1773 3.2751 3.2751 4.4811 4.4811 4.5116 4.5116 4.6169 4.6169 5.7815 5.7815 5.9517 5.9517 6.2870 6.2870 6.4416 6.4416 9.2640 9.2640 9.3594 9.3594 9.8917 9.8917 11.4609 11.4609 k =-0.1812 0.1601 0.2418 ( 4079 PWs) bands (ev): -27.1614 -27.1614 -27.1338 -27.1338 -10.0810 -10.0810 -9.9887 -9.9887 -9.0381 -9.0381 -8.9451 -8.9451 -8.8586 -8.8586 -8.7861 -8.7861 -7.1094 -7.1094 -6.7772 -6.7772 -3.2999 -3.2999 -3.0931 -3.0931 1.9562 1.9562 2.1728 2.1728 3.2964 3.2964 4.4557 4.4557 4.4838 4.4838 4.6152 4.6152 5.7382 5.7382 5.9542 5.9542 6.2809 6.2809 6.5154 6.5154 9.3071 9.3071 9.3763 9.3763 9.8530 9.8530 11.5007 11.5007 k =-0.1717 0.1517 0.2291 ( 4079 PWs) bands (ev): -27.1617 -27.1617 -27.1335 -27.1335 -10.0804 -10.0804 -9.9855 -9.9855 -9.0355 -9.0355 -8.9383 -8.9383 -8.8614 -8.8614 -8.7850 -8.7850 -7.1334 -7.1334 -6.7670 -6.7670 -3.2982 -3.2982 -3.1035 -3.1035 1.9753 1.9753 2.1710 2.1710 3.3153 3.3153 4.4251 4.4251 4.4499 4.4499 4.6142 4.6142 5.6995 5.6995 5.9595 5.9595 6.2744 6.2744 6.5870 6.5870 9.3563 9.3563 9.3930 9.3930 9.8221 9.8221 11.5443 11.5443 k =-0.1621 0.1433 0.2164 ( 4075 PWs) bands (ev): -27.1620 -27.1620 -27.1333 -27.1333 -10.0800 -10.0800 -9.9824 -9.9824 -9.0330 -9.0330 -8.9314 -8.9314 -8.8642 -8.8642 -8.7838 -8.7838 -7.1575 -7.1575 -6.7564 -6.7564 -3.2961 -3.2961 -3.1145 -3.1145 1.9976 1.9976 2.1718 2.1718 3.3319 3.3319 4.3898 4.3898 4.4103 4.4103 4.6138 4.6138 5.6654 5.6654 5.9676 5.9676 6.2678 6.2678 6.6556 6.6556 9.4021 9.4021 9.4167 9.4167 9.8007 9.8007 11.5912 11.5912 k =-0.1526 0.1348 0.2036 ( 4077 PWs) bands (ev): -27.1623 -27.1623 -27.1330 -27.1330 -10.0796 -10.0796 -9.9793 -9.9793 -9.0307 -9.0307 -8.9243 -8.9243 -8.8668 -8.8668 -8.7826 -8.7826 -7.1815 -7.1815 -6.7455 -6.7455 -3.2938 -3.2938 -3.1261 -3.1261 2.0230 2.0230 2.1754 2.1754 3.3462 3.3462 4.3500 4.3500 4.3657 4.3657 4.6139 4.6139 5.6357 5.6357 5.9781 5.9781 6.2612 6.2612 6.7206 6.7206 9.4145 9.4145 9.4748 9.4748 9.7909 9.7909 11.6415 11.6415 k =-0.1431 0.1264 0.1909 ( 4073 PWs) bands (ev): -27.1625 -27.1625 -27.1328 -27.1328 -10.0792 -10.0792 -9.9762 -9.9762 -9.0285 -9.0285 -8.9172 -8.9172 -8.8693 -8.8693 -8.7814 -8.7814 -7.2053 -7.2053 -6.7344 -6.7344 -3.2914 -3.2914 -3.1380 -3.1380 2.0512 2.0512 2.1815 2.1815 3.3584 3.3584 4.3064 4.3064 4.3172 4.3172 4.6145 4.6145 5.6101 5.6101 5.9908 5.9908 6.2547 6.2547 6.7816 6.7816 9.4183 9.4183 9.5402 9.5402 9.7943 9.7943 11.6947 11.6947 k =-0.1335 0.1180 0.1782 ( 4073 PWs) bands (ev): -27.1628 -27.1628 -27.1326 -27.1326 -10.0790 -10.0790 -9.9733 -9.9733 -9.0266 -9.0266 -8.9101 -8.9101 -8.8717 -8.8717 -8.7802 -8.7802 -7.2286 -7.2286 -6.7233 -6.7233 -3.2888 -3.2888 -3.1503 -3.1503 2.0820 2.0820 2.1900 2.1900 3.3686 3.3686 4.2588 4.2588 4.2658 4.2658 4.6156 4.6156 5.5882 5.5882 6.0055 6.0055 6.2484 6.2484 6.8385 6.8385 9.4153 9.4153 9.6099 9.6099 9.8112 9.8112 11.7506 11.7506 k =-0.1240 0.1096 0.1655 ( 4069 PWs) bands (ev): -27.1630 -27.1630 -27.1324 -27.1324 -10.0788 -10.0788 -9.9704 -9.9704 -9.0248 -9.0248 -8.9031 -8.9031 -8.8739 -8.8739 -8.7790 -8.7790 -7.2513 -7.2513 -6.7122 -6.7122 -3.2862 -3.2862 -3.1626 -3.1626 2.1151 2.1151 2.2009 2.2009 3.3769 3.3769 4.2070 4.2070 4.2137 4.2137 4.6169 4.6169 5.5696 5.5696 6.0216 6.0216 6.2424 6.2424 6.8908 6.8908 9.4066 9.4066 9.6830 9.6830 9.8407 9.8407 11.8090 11.8090 k =-0.1145 0.1011 0.1527 ( 4067 PWs) bands (ev): -27.1632 -27.1632 -27.1322 -27.1322 -10.0786 -10.0786 -9.9676 -9.9676 -9.0232 -9.0232 -8.8962 -8.8962 -8.8760 -8.8760 -8.7778 -8.7778 -7.2733 -7.2733 -6.7013 -6.7013 -3.2836 -3.2836 -3.1749 -3.1749 2.1503 2.1503 2.2139 2.2139 3.3835 3.3835 4.1517 4.1517 4.1615 4.1615 4.6185 4.6185 5.5539 5.5539 6.0388 6.0388 6.2367 6.2367 6.9385 6.9385 9.3937 9.3937 9.7586 9.7586 9.8809 9.8809 11.8694 11.8694 k =-0.1049 0.0927 0.1400 ( 4071 PWs) bands (ev): -27.1634 -27.1634 -27.1321 -27.1321 -10.0785 -10.0785 -9.9650 -9.9650 -9.0217 -9.0217 -8.8895 -8.8895 -8.8780 -8.8780 -8.7766 -8.7766 -7.2943 -7.2943 -6.6907 -6.6907 -3.2811 -3.2811 -3.1870 -3.1870 2.1872 2.1872 2.2287 2.2287 3.3887 3.3887 4.0952 4.0952 4.1086 4.1086 4.6204 4.6204 5.5406 5.5406 6.0567 6.0567 6.2314 6.2314 6.9816 6.9816 9.3785 9.3785 9.8359 9.8359 9.9298 9.9298 11.9314 11.9314 k =-0.0954 0.0843 0.1273 ( 4061 PWs) bands (ev): -27.1636 -27.1636 -27.1319 -27.1319 -10.0784 -10.0784 -9.9625 -9.9625 -9.0204 -9.0204 -8.8831 -8.8831 -8.8798 -8.8798 -8.7754 -8.7754 -7.3143 -7.3143 -6.6804 -6.6804 -3.2786 -3.2786 -3.1988 -3.1988 2.2253 2.2253 2.2451 2.2451 3.3925 3.3925 4.0388 4.0388 4.0552 4.0552 4.6223 4.6223 5.5296 5.5296 6.0747 6.0747 6.2265 6.2265 7.0200 7.0200 9.3623 9.3623 9.9137 9.9137 9.9855 9.9855 11.9939 11.9939 k =-0.0858 0.0758 0.1145 ( 4073 PWs) bands (ev): -27.1638 -27.1638 -27.1317 -27.1317 -10.0783 -10.0783 -9.9602 -9.9602 -9.0193 -9.0193 -8.8814 -8.8814 -8.8770 -8.8770 -8.7742 -8.7742 -7.3329 -7.3329 -6.6707 -6.6707 -3.2763 -3.2763 -3.2100 -3.2100 2.2626 2.2626 2.2642 2.2642 3.3952 3.3952 3.9836 3.9836 4.0019 4.0019 4.6243 4.6243 5.5204 5.5204 6.0924 6.0924 6.2222 6.2222 7.0539 7.0539 9.3460 9.3460 9.9909 9.9909 10.0467 10.0467 11.9930 11.9930 k =-0.0763 0.0674 0.1018 ( 4077 PWs) bands (ev): -27.1639 -27.1639 -27.1316 -27.1316 -10.0783 -10.0783 -9.9581 -9.9581 -9.0183 -9.0183 -8.8829 -8.8829 -8.8713 -8.8713 -8.7731 -8.7731 -7.3501 -7.3501 -6.6616 -6.6616 -3.2742 -3.2742 -3.2206 -3.2206 2.2808 2.2808 2.3030 2.3030 3.3970 3.3970 3.9305 3.9305 3.9497 3.9497 4.6263 4.6263 5.5128 5.5128 6.1093 6.1093 6.2186 6.2186 7.0834 7.0834 9.3303 9.3303 10.0661 10.0661 10.1117 10.1117 11.9509 11.9509 k =-0.0668 0.0590 0.0891 ( 4071 PWs) bands (ev): -27.1641 -27.1641 -27.1315 -27.1315 -10.0783 -10.0783 -9.9562 -9.9562 -9.0174 -9.0174 -8.8842 -8.8842 -8.8662 -8.8662 -8.7720 -8.7720 -7.3657 -7.3657 -6.6533 -6.6533 -3.2723 -3.2723 -3.2303 -3.2303 2.2992 2.2992 2.3412 2.3412 3.3981 3.3981 3.8805 3.8805 3.8994 3.8994 4.6282 4.6282 5.5065 5.5065 6.1248 6.1248 6.2159 6.2159 7.1087 7.1087 9.3158 9.3158 10.1382 10.1382 10.1788 10.1788 11.9081 11.9081 k =-0.0572 0.0506 0.0764 ( 4079 PWs) bands (ev): -27.1642 -27.1642 -27.1314 -27.1314 -10.0783 -10.0783 -9.9545 -9.9545 -9.0167 -9.0167 -8.8854 -8.8854 -8.8616 -8.8616 -8.7710 -8.7710 -7.3795 -7.3795 -6.6459 -6.6459 -3.2706 -3.2706 -3.2390 -3.2390 2.3172 2.3172 2.3778 2.3778 3.3986 3.3986 3.8343 3.8343 3.8520 3.8520 4.6299 4.6299 5.5014 5.5014 6.1383 6.1383 6.2142 6.2142 7.1300 7.1300 9.3027 9.3027 10.2061 10.2061 10.2457 10.2457 11.8660 11.8660 k =-0.0477 0.0421 0.0636 ( 4091 PWs) bands (ev): -27.1643 -27.1643 -27.1313 -27.1313 -10.0783 -10.0783 -9.9531 -9.9531 -9.0161 -9.0161 -8.8864 -8.8864 -8.8576 -8.8576 -8.7701 -8.7701 -7.3915 -7.3915 -6.6394 -6.6394 -3.2692 -3.2692 -3.2466 -3.2466 2.3341 2.3341 2.4119 2.4119 3.3988 3.3988 3.7930 3.7930 3.8090 3.8090 4.6315 4.6315 5.4973 5.4973 6.1493 6.1493 6.2137 6.2137 7.1476 7.1476 9.2913 9.2913 10.2689 10.2689 10.3096 10.3096 11.8257 11.8257 k =-0.0382 0.0337 0.0509 ( 4099 PWs) bands (ev): -27.1644 -27.1644 -27.1312 -27.1312 -10.0783 -10.0783 -9.9519 -9.9519 -9.0156 -9.0156 -8.8872 -8.8872 -8.8542 -8.8542 -8.7694 -8.7694 -7.4015 -7.4015 -6.6340 -6.6340 -3.2681 -3.2681 -3.2529 -3.2529 2.3492 2.3492 2.4422 2.4422 3.3987 3.3987 3.7573 3.7573 3.7714 3.7714 4.6329 4.6329 5.4942 5.4942 6.1576 6.1576 6.2145 6.2145 7.1617 7.1617 9.2818 9.2818 10.3249 10.3249 10.3676 10.3676 11.7887 11.7887 k =-0.0286 0.0253 0.0382 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1312 -27.1312 -10.0783 -10.0783 -9.9509 -9.9509 -9.0152 -9.0152 -8.8878 -8.8878 -8.8516 -8.8516 -8.7687 -8.7687 -7.4094 -7.4094 -6.6296 -6.6296 -3.2675 -3.2675 -3.2576 -3.2576 2.3619 2.3619 2.4675 2.4675 3.3984 3.3984 3.7280 3.7280 3.7407 3.7407 4.6340 4.6340 5.4918 5.4918 6.1632 6.1632 6.2163 6.2163 7.1724 7.1724 9.2742 9.2742 10.3722 10.3722 10.4169 10.4169 11.7569 11.7569 k =-0.0191 0.0169 0.0255 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9503 -9.9503 -9.0150 -9.0150 -8.8882 -8.8882 -8.8497 -8.8497 -8.7682 -8.7682 -7.4150 -7.4150 -6.6265 -6.6265 -3.2674 -3.2674 -3.2607 -3.2607 2.3715 2.3715 2.4868 2.4868 3.3982 3.3982 3.7060 3.7060 3.7181 3.7181 4.6348 4.6348 5.4901 5.4901 6.1666 6.1666 6.2183 6.2183 7.1799 7.1799 9.2688 9.2688 10.4084 10.4084 10.4547 10.4547 11.7322 11.7322 k =-0.0095 0.0084 0.0127 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9499 -9.9499 -9.0148 -9.0148 -8.8885 -8.8885 -8.8485 -8.8485 -8.7679 -8.7679 -7.4185 -7.4185 -6.6246 -6.6246 -3.2679 -3.2679 -3.2621 -3.2621 2.3775 2.3775 2.4988 2.4988 3.3980 3.3980 3.6923 3.6923 3.7043 3.7043 4.6353 4.6353 5.4892 5.4892 6.1683 6.1683 6.2199 6.2199 7.1844 7.1844 9.2655 9.2655 10.4312 10.4312 10.4786 10.4786 11.7165 11.7165 k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9497 -9.9497 -9.0147 -9.0147 -8.8886 -8.8886 -8.8482 -8.8482 -8.7678 -8.7678 -7.4196 -7.4196 -6.6240 -6.6240 -3.2681 -3.2681 -3.2624 -3.2624 2.3795 2.3795 2.5029 2.5029 3.3979 3.3979 3.6876 3.6876 3.6997 3.6997 4.6355 4.6355 5.4889 5.4889 6.1688 6.1688 6.2205 6.2205 7.1859 7.1859 9.2644 9.2644 10.4390 10.4390 10.4868 10.4868 11.7111 11.7111 k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0783 -10.0783 -9.9497 -9.9497 -9.0147 -9.0147 -8.8886 -8.8886 -8.8482 -8.8482 -8.7678 -8.7678 -7.4196 -7.4196 -6.6240 -6.6240 -3.2681 -3.2681 -3.2624 -3.2624 2.3795 2.3795 2.5029 2.5029 3.3979 3.3979 3.6876 3.6876 3.6997 3.6997 4.6355 4.6355 5.4889 5.4889 6.1688 6.1688 6.2205 6.2205 7.1859 7.1859 9.2644 9.2644 10.4390 10.4390 10.4868 10.4868 11.7111 11.7111 k = 0.0119 0.0135-0.0000 ( 4099 PWs) bands (ev): -27.1645 -27.1645 -27.1311 -27.1311 -10.0782 -10.0782 -9.9499 -9.9499 -9.0145 -9.0145 -8.8888 -8.8888 -8.8480 -8.8480 -8.7687 -8.7687 -7.4186 -7.4186 -6.6243 -6.6243 -3.2679 -3.2679 -3.2622 -3.2622 2.3799 2.3799 2.5035 2.5035 3.3997 3.3997 3.6875 3.6875 3.6996 3.6996 4.6312 4.6312 5.4869 5.4869 6.1691 6.1691 6.2207 6.2207 7.1864 7.1864 9.2699 9.2699 10.4388 10.4388 10.4866 10.4866 11.7077 11.7077 k = 0.0238 0.0269-0.0000 ( 4099 PWs) bands (ev): -27.1644 -27.1644 -27.1312 -27.1312 -10.0779 -10.0779 -9.9504 -9.9504 -9.0138 -9.0138 -8.8895 -8.8895 -8.8477 -8.8477 -8.7712 -8.7712 -7.4155 -7.4155 -6.6250 -6.6250 -3.2672 -3.2672 -3.2613 -3.2613 2.3811 2.3811 2.5053 2.5053 3.4049 3.4049 3.6871 3.6871 3.6992 3.6992 4.6182 4.6182 5.4809 5.4809 6.1700 6.1700 6.2214 6.2214 7.1880 7.1880 9.2865 9.2865 10.4383 10.4383 10.4860 10.4860 11.6976 11.6976 k = 0.0357 0.0404-0.0000 ( 4091 PWs) bands (ev): -27.1642 -27.1642 -27.1314 -27.1314 -10.0774 -10.0774 -9.9512 -9.9512 -9.0127 -9.0127 -8.8906 -8.8906 -8.8471 -8.8471 -8.7754 -8.7754 -7.4104 -7.4104 -6.6263 -6.6263 -3.2660 -3.2660 -3.2599 -3.2599 2.3831 2.3831 2.5082 2.5082 3.4136 3.4136 3.6864 3.6864 3.6985 3.6985 4.5969 4.5969 5.4711 5.4711 6.1714 6.1714 6.2226 6.2226 7.1907 7.1907 9.3139 9.3139 10.4375 10.4375 10.4850 10.4850 11.6809 11.6809 k = 0.0476 0.0539-0.0000 ( 4091 PWs) bands (ev): -27.1640 -27.1640 -27.1316 -27.1316 -10.0767 -10.0767 -9.9523 -9.9523 -9.0111 -9.0111 -8.8921 -8.8921 -8.8463 -8.8463 -8.7811 -8.7811 -7.4034 -7.4034 -6.6281 -6.6281 -3.2644 -3.2644 -3.2579 -3.2579 2.3859 2.3859 2.5123 2.5123 3.4256 3.4256 3.6854 3.6854 3.6976 3.6976 4.5677 4.5677 5.4574 5.4574 6.1735 6.1735 6.2242 6.2242 7.1944 7.1944 9.3517 9.3517 10.4363 10.4363 10.4838 10.4838 11.6579 11.6579 k = 0.0595 0.0674-0.0000 ( 4091 PWs) bands (ev): -27.1637 -27.1637 -27.1319 -27.1319 -10.0758 -10.0758 -9.9538 -9.9538 -9.0090 -9.0090 -8.8940 -8.8940 -8.8453 -8.8453 -8.7883 -8.7883 -7.3945 -7.3945 -6.6303 -6.6303 -3.2624 -3.2624 -3.2553 -3.2553 2.3894 2.3894 2.5175 2.5175 3.4411 3.4411 3.6841 3.6841 3.6964 3.6964 4.5309 4.5309 5.4399 5.4399 6.1761 6.1761 6.2264 6.2264 7.1992 7.1992 9.3995 9.3995 10.4349 10.4349 10.4822 10.4822 11.6288 11.6288 k = 0.0714 0.0808-0.0000 ( 4083 PWs) bands (ev): -27.1633 -27.1633 -27.1322 -27.1322 -10.0748 -10.0748 -9.9556 -9.9556 -9.0065 -9.0065 -8.8963 -8.8963 -8.8441 -8.8441 -8.7969 -8.7969 -7.3839 -7.3839 -6.6330 -6.6330 -3.2599 -3.2599 -3.2522 -3.2522 2.3938 2.3938 2.5237 2.5237 3.4597 3.4597 3.6826 3.6826 3.6950 3.6950 4.4873 4.4873 5.4189 5.4189 6.1793 6.1793 6.2290 6.2290 7.2050 7.2050 9.4566 9.4566 10.4333 10.4333 10.4803 10.4803 11.5940 11.5940 k = 0.0833 0.0943-0.0000 ( 4083 PWs) bands (ev): -27.1629 -27.1629 -27.1326 -27.1326 -10.0736 -10.0736 -9.9578 -9.9578 -9.0035 -9.0035 -8.8989 -8.8989 -8.8427 -8.8427 -8.8067 -8.8067 -7.3716 -7.3716 -6.6362 -6.6362 -3.2570 -3.2570 -3.2486 -3.2486 2.3990 2.3990 2.5310 2.5310 3.4815 3.4815 3.6808 3.6808 3.6934 3.6934 4.4375 4.4375 5.3944 5.3944 6.1831 6.1831 6.2320 6.2320 7.2118 7.2118 9.5226 9.5226 10.4316 10.4316 10.4782 10.4782 11.5541 11.5541 k = 0.0952 0.1078-0.0000 ( 4083 PWs) bands (ev): -27.1624 -27.1624 -27.1331 -27.1331 -10.0723 -10.0723 -9.9602 -9.9602 -9.0001 -9.0001 -8.9018 -8.9018 -8.8412 -8.8412 -8.8177 -8.8177 -7.3578 -7.3578 -6.6398 -6.6398 -3.2537 -3.2537 -3.2446 -3.2446 2.4049 2.4049 2.5392 2.5392 3.5064 3.5064 3.6787 3.6787 3.6916 3.6916 4.3823 4.3823 5.3666 5.3666 6.1874 6.1874 6.2355 6.2355 7.2195 7.2195 9.5967 9.5967 10.4297 10.4297 10.4760 10.4760 11.5093 11.5093 k = 0.1071 0.1213-0.0000 ( 4083 PWs) bands (ev): -27.1619 -27.1619 -27.1336 -27.1336 -10.0709 -10.0709 -9.9631 -9.9631 -8.9962 -8.9962 -8.9051 -8.9051 -8.8396 -8.8396 -8.8295 -8.8295 -7.3427 -7.3427 -6.6439 -6.6439 -3.2501 -3.2501 -3.2400 -3.2400 2.4117 2.4117 2.5482 2.5482 3.5340 3.5340 3.6763 3.6763 3.6898 3.6898 4.3223 4.3223 5.3357 5.3357 6.1923 6.1923 6.2395 6.2395 7.2282 7.2282 9.6783 9.6783 10.4278 10.4278 10.4738 10.4738 11.4602 11.4602 k = 0.1190 0.1347-0.0000 ( 4083 PWs) bands (ev): -27.1613 -27.1613 -27.1342 -27.1342 -10.0694 -10.0694 -9.9662 -9.9662 -8.9919 -8.9919 -8.9087 -8.9087 -8.8422 -8.8422 -8.8377 -8.8377 -7.3263 -7.3263 -6.6483 -6.6483 -3.2461 -3.2461 -3.2350 -3.2350 2.4192 2.4192 2.5581 2.5581 3.5641 3.5641 3.6737 3.6737 3.6881 3.6881 4.2583 4.2583 5.3019 5.3019 6.1978 6.1978 6.2439 6.2439 7.2379 7.2379 9.7667 9.7667 10.4259 10.4259 10.4715 10.4715 11.4074 11.4074 k = 0.1310 0.1482-0.0000 ( 4083 PWs) bands (ev): -27.1607 -27.1607 -27.1348 -27.1348 -10.0678 -10.0678 -9.9697 -9.9697 -8.9872 -8.9872 -8.9125 -8.9125 -8.8556 -8.8556 -8.8358 -8.8358 -7.3089 -7.3089 -6.6531 -6.6531 -3.2417 -3.2417 -3.2297 -3.2297 2.4276 2.4276 2.5686 2.5686 3.5961 3.5961 3.6707 3.6707 3.6870 3.6870 4.1911 4.1911 5.2655 5.2655 6.2038 6.2038 6.2488 6.2488 7.2484 7.2484 9.8614 9.8614 10.4241 10.4241 10.4693 10.4693 11.3512 11.3512 k = 0.1429 0.1617-0.0000 ( 4071 PWs) bands (ev): -27.1600 -27.1600 -27.1354 -27.1354 -10.0662 -10.0662 -9.9736 -9.9736 -8.9820 -8.9820 -8.9166 -8.9166 -8.8694 -8.8694 -8.8337 -8.8337 -7.2905 -7.2905 -6.6582 -6.6582 -3.2371 -3.2371 -3.2239 -3.2239 2.4366 2.4366 2.5798 2.5798 3.6280 3.6280 3.6675 3.6675 3.6884 3.6884 4.1213 4.1213 5.2267 5.2267 6.2103 6.2103 6.2541 6.2541 7.2597 7.2597 9.9618 9.9618 10.4225 10.4225 10.4673 10.4673 11.2923 11.2923 k = 0.1548 0.1752-0.0000 ( 4087 PWs) bands (ev): -27.1593 -27.1593 -27.1361 -27.1361 -10.0645 -10.0645 -9.9778 -9.9778 -8.9764 -8.9764 -8.9208 -8.9208 -8.8836 -8.8836 -8.8316 -8.8316 -7.2713 -7.2713 -6.6636 -6.6636 -3.2322 -3.2322 -3.2178 -3.2178 2.4464 2.4464 2.5913 2.5913 3.6526 3.6526 3.6640 3.6640 3.6994 3.6994 4.0496 4.0496 5.1857 5.1857 6.2173 6.2173 6.2598 6.2598 7.2718 7.2718 10.0672 10.0672 10.4212 10.4212 10.4654 10.4654 11.2311 11.2311 k = 0.1667 0.1886-0.0000 ( 4079 PWs) bands (ev): -27.1585 -27.1585 -27.1368 -27.1368 -10.0628 -10.0628 -9.9823 -9.9823 -8.9704 -8.9704 -8.9253 -8.9253 -8.8980 -8.8980 -8.8293 -8.8293 -7.2514 -7.2514 -6.6693 -6.6693 -3.2270 -3.2270 -3.2114 -3.2114 2.4569 2.4569 2.6033 2.6033 3.6601 3.6601 3.6611 3.6611 3.7285 3.7285 3.9767 3.9767 5.1429 5.1429 6.2248 6.2248 6.2660 6.2660 7.2847 7.2847 10.1773 10.1773 10.4203 10.4203 10.4639 10.4639 11.1681 11.1681 k = 0.1786 0.2021-0.0000 ( 4079 PWs) bands (ev): -27.1577 -27.1577 -27.1376 -27.1376 -10.0611 -10.0611 -9.9871 -9.9871 -8.9640 -8.9640 -8.9300 -8.9300 -8.9125 -8.9125 -8.8270 -8.8270 -7.2310 -7.2310 -6.6752 -6.6752 -3.2216 -3.2216 -3.2048 -3.2048 2.4681 2.4681 2.6154 2.6154 3.6558 3.6558 3.6612 3.6612 3.7679 3.7679 3.9034 3.9034 5.0984 5.0984 6.2327 6.2327 6.2725 6.2725 7.2982 7.2982 10.2911 10.2911 10.4203 10.4203 10.4627 10.4627 11.1039 11.1039 k = 0.1905 0.2156-0.0000 ( 4075 PWs) bands (ev): -27.1569 -27.1569 -27.1384 -27.1384 -10.0595 -10.0595 -9.9923 -9.9923 -8.9575 -8.9575 -8.9348 -8.9348 -8.9268 -8.9268 -8.8246 -8.8246 -7.2102 -7.2102 -6.6813 -6.6813 -3.2161 -3.2161 -3.1980 -3.1980 2.4799 2.4799 2.6275 2.6275 3.6508 3.6508 3.6588 3.6588 3.8114 3.8114 3.8306 3.8306 5.0526 5.0526 6.2410 6.2410 6.2793 6.2793 7.3124 7.3124 10.3990 10.3990 10.4305 10.4305 10.4619 10.4619 11.0389 11.0389 k = 0.2024 0.2291-0.0000 ( 4067 PWs) bands (ev): -27.1560 -27.1560 -27.1392 -27.1392 -10.0579 -10.0579 -9.9977 -9.9977 -8.9516 -8.9516 -8.9400 -8.9400 -8.9397 -8.9397 -8.8221 -8.8221 -7.1892 -7.1892 -6.6875 -6.6875 -3.2104 -3.2104 -3.1909 -3.1909 2.4922 2.4922 2.6394 2.6394 3.6442 3.6442 3.6555 3.6555 3.7595 3.7595 3.8575 3.8575 5.0057 5.0057 6.2498 6.2498 6.2866 6.2866 7.3271 7.3271 10.4160 10.4160 10.4616 10.4616 10.5357 10.5357 10.9736 10.9736 k = 0.2143 0.2425-0.0000 ( 4071 PWs) bands (ev): -27.1552 -27.1552 -27.1400 -27.1400 -10.0564 -10.0564 -10.0034 -10.0034 -8.9573 -8.9573 -8.9447 -8.9447 -8.9410 -8.9410 -8.8195 -8.8195 -7.1679 -7.1679 -6.6939 -6.6939 -3.2046 -3.2046 -3.1837 -3.1837 2.5051 2.5051 2.6509 2.6509 3.6315 3.6315 3.6517 3.6517 3.6955 3.6955 3.9054 3.9054 4.9580 4.9580 6.2589 6.2589 6.2941 6.2941 7.3424 7.3424 10.4174 10.4174 10.4618 10.4618 10.6600 10.6600 10.9085 10.9085 k = 0.2262 0.2560-0.0000 ( 4071 PWs) bands (ev): -27.1543 -27.1543 -27.1409 -27.1409 -10.0549 -10.0549 -10.0093 -10.0093 -8.9705 -8.9705 -8.9497 -8.9497 -8.9340 -8.9340 -8.8170 -8.8170 -7.1466 -7.1466 -6.7004 -6.7004 -3.1987 -3.1987 -3.1765 -3.1765 2.5184 2.5184 2.6618 2.6618 3.5936 3.5936 3.6476 3.6476 3.6581 3.6581 3.9548 3.9548 4.9098 4.9098 6.2683 6.2683 6.3019 6.3019 7.3580 7.3580 10.4187 10.4187 10.4625 10.4625 10.7880 10.7880 10.8439 10.8439 k = 0.2381 0.2695-0.0000 ( 4075 PWs) bands (ev): -27.1534 -27.1534 -27.1417 -27.1417 -10.0536 -10.0536 -10.0155 -10.0155 -8.9839 -8.9839 -8.9548 -8.9548 -8.9262 -8.9262 -8.8144 -8.8144 -7.1254 -7.1254 -6.7070 -6.7070 -3.1928 -3.1928 -3.1692 -3.1692 2.5321 2.5321 2.6716 2.6716 3.5329 3.5329 3.6433 3.6433 3.6456 3.6456 4.0054 4.0054 4.8613 4.8613 6.2780 6.2780 6.3100 6.3100 7.3740 7.3740 10.4203 10.4203 10.4637 10.4637 10.7805 10.7805 10.9187 10.9187 k = 0.2500 0.2829-0.0000 ( 4070 PWs) bands (ev): -27.1525 -27.1525 -27.1426 -27.1426 -10.0524 -10.0524 -10.0218 -10.0218 -8.9969 -8.9969 -8.9599 -8.9599 -8.9181 -8.9181 -8.8118 -8.8118 -7.1044 -7.1044 -6.7135 -6.7135 -3.1868 -3.1868 -3.1618 -3.1618 2.5461 2.5461 2.6802 2.6802 3.4692 3.4692 3.6384 3.6384 3.6390 3.6390 4.0568 4.0568 4.8129 4.8129 6.2879 6.2879 6.3183 6.3183 7.3902 7.3902 10.4222 10.4222 10.4654 10.4654 10.7185 10.7185 11.0519 11.0519 k = 0.2619 0.2964-0.0000 ( 4078 PWs) bands (ev): -27.1516 -27.1516 -27.1434 -27.1434 -10.0514 -10.0514 -10.0281 -10.0281 -9.0094 -9.0094 -8.9650 -8.9650 -8.9098 -8.9098 -8.8092 -8.8092 -7.0836 -7.0836 -6.7200 -6.7200 -3.1809 -3.1809 -3.1546 -3.1546 2.5604 2.5604 2.6870 2.6870 3.4076 3.4076 3.6328 3.6328 3.6343 3.6343 4.1088 4.1088 4.7647 4.7647 6.2980 6.2980 6.3267 6.3267 7.4067 7.4067 10.4247 10.4247 10.4676 10.4676 10.6584 10.6584 11.1871 11.1871 k = 0.2738 0.3099-0.0000 ( 4070 PWs) bands (ev): -27.1507 -27.1507 -27.1443 -27.1443 -10.0507 -10.0507 -10.0344 -10.0344 -9.0214 -9.0214 -8.9700 -8.9700 -8.9013 -8.9013 -8.8066 -8.8066 -7.0631 -7.0631 -6.7265 -6.7265 -3.1751 -3.1751 -3.1473 -3.1473 2.5748 2.5748 2.6915 2.6915 3.3495 3.3495 3.6276 3.6276 3.6296 3.6296 4.1612 4.1612 4.7170 4.7170 6.3082 6.3082 6.3353 6.3353 7.4232 7.4232 10.4275 10.4275 10.4703 10.4703 10.6007 10.6007 11.3239 11.3239 k = 0.2857 0.3234-0.0000 ( 4070 PWs) bands (ev): -27.1498 -27.1498 -27.1451 -27.1451 -10.0507 -10.0507 -10.0402 -10.0402 -9.0328 -9.0328 -8.9750 -8.9750 -8.8928 -8.8928 -8.8040 -8.8040 -7.0432 -7.0432 -6.7329 -6.7329 -3.1693 -3.1693 -3.1402 -3.1402 2.5893 2.5893 2.6932 2.6932 3.2960 3.2960 3.6227 3.6227 3.6249 3.6249 4.2135 4.2135 4.6702 4.6702 6.3184 6.3184 6.3439 6.3439 7.4397 7.4397 10.4308 10.4308 10.4734 10.4734 10.5457 10.5457 11.4619 11.4619 k = 0.2976 0.3368-0.0000 ( 4094 PWs) bands (ev): -27.1489 -27.1489 -27.1459 -27.1459 -10.0529 -10.0529 -10.0439 -10.0439 -9.0436 -9.0436 -8.9799 -8.9799 -8.8843 -8.8843 -8.8015 -8.8015 -7.0237 -7.0237 -6.7391 -6.7391 -3.1636 -3.1636 -3.1333 -3.1333 2.6038 2.6038 2.6915 2.6915 3.2479 3.2479 3.6179 3.6179 3.6203 3.6203 4.2656 4.2656 4.6243 4.6243 6.3286 6.3286 6.3525 6.3525 7.4561 7.4561 10.4343 10.4343 10.4764 10.4764 10.4943 10.4943 11.5449 11.5449 k = 0.3095 0.3503-0.0000 ( 4094 PWs) bands (ev): -27.1481 -27.1481 -27.1467 -27.1467 -10.0578 -10.0578 -10.0450 -10.0450 -9.0537 -9.0537 -8.9846 -8.9846 -8.8759 -8.8759 -8.7991 -8.7991 -7.0049 -7.0049 -6.7452 -6.7452 -3.1581 -3.1581 -3.1265 -3.1265 2.6182 2.6182 2.6858 2.6858 3.2059 3.2059 3.6132 3.6132 3.6157 3.6157 4.3171 4.3171 4.5798 4.5798 6.3388 6.3388 6.3611 6.3611 7.4723 7.4723 10.4382 10.4382 10.4447 10.4447 10.4814 10.4814 11.4528 11.4528 k = 0.3214 0.3638-0.0000 ( 4094 PWs) bands (ev): -27.1475 -27.1475 -27.1472 -27.1472 -10.0639 -10.0639 -10.0449 -10.0449 -9.0632 -9.0632 -8.9892 -8.9892 -8.8675 -8.8675 -8.7967 -8.7967 -6.9868 -6.9868 -6.7511 -6.7511 -3.1528 -3.1528 -3.1199 -3.1199 2.6323 2.6323 2.6758 2.6758 3.1706 3.1706 3.6087 3.6087 3.6111 3.6111 4.3678 4.3678 4.5367 4.5367 6.3488 6.3488 6.3696 6.3696 7.4882 7.4882 10.4001 10.4001 10.4423 10.4423 10.4853 10.4853 11.3624 11.3624 k = 0.3333 0.3773-0.0000 ( 4082 PWs) bands (ev): -27.1483 -27.1483 -27.1464 -27.1464 -10.0702 -10.0702 -10.0446 -10.0446 -9.0720 -9.0720 -8.9936 -8.9936 -8.8594 -8.8594 -8.7944 -8.7944 -6.9694 -6.9694 -6.7568 -6.7568 -3.1476 -3.1476 -3.1136 -3.1136 2.6462 2.6462 2.6614 2.6614 3.1422 3.1422 3.6043 3.6043 3.6067 3.6067 4.4172 4.4172 4.4953 4.4953 6.3586 6.3586 6.3780 6.3780 7.5038 7.5038 10.3596 10.3596 10.4465 10.4465 10.4896 10.4896 11.2739 11.2739 k = 0.3452 0.3907-0.0000 ( 4102 PWs) bands (ev): -27.1490 -27.1490 -27.1457 -27.1457 -10.0765 -10.0765 -10.0442 -10.0442 -9.0802 -9.0802 -8.9978 -8.9978 -8.8515 -8.8515 -8.7922 -8.7922 -6.9529 -6.9529 -6.7622 -6.7622 -3.1428 -3.1428 -3.1076 -3.1076 2.6430 2.6430 2.6596 2.6596 3.1202 3.1202 3.6001 3.6001 3.6024 3.6024 4.4558 4.4558 4.4651 4.4651 6.3681 6.3681 6.3861 6.3861 7.5188 7.5188 10.3234 10.3234 10.4508 10.4508 10.4940 10.4940 11.1874 11.1874 k = 0.3571 0.4042-0.0000 ( 4110 PWs) bands (ev): -27.1497 -27.1497 -27.1449 -27.1449 -10.0826 -10.0826 -10.0439 -10.0439 -9.0877 -9.0877 -9.0018 -9.0018 -8.8438 -8.8438 -8.7901 -8.7901 -6.9374 -6.9374 -6.7673 -6.7673 -3.1381 -3.1381 -3.1020 -3.1020 2.6214 2.6214 2.6725 2.6725 3.1042 3.1042 3.5961 3.5961 3.5983 3.5983 4.4184 4.4184 4.5111 4.5111 6.3772 6.3772 6.3940 6.3940 7.5332 7.5332 10.2918 10.2918 10.4551 10.4551 10.4985 10.4985 11.1030 11.1030 k = 0.3690 0.4177-0.0000 ( 4110 PWs) bands (ev): -27.1503 -27.1503 -27.1443 -27.1443 -10.0885 -10.0885 -10.0436 -10.0436 -9.0946 -9.0946 -9.0055 -9.0055 -8.8366 -8.8366 -8.7881 -8.7881 -6.9228 -6.9228 -6.7722 -6.7722 -3.1338 -3.1338 -3.0966 -3.0966 2.5976 2.5976 2.6849 2.6849 3.0931 3.0931 3.5923 3.5923 3.5944 3.5944 4.3833 4.3833 4.5549 4.5549 6.3860 6.3860 6.4015 6.4015 7.5469 7.5469 10.2653 10.2653 10.4594 10.4594 10.5029 10.5029 11.0210 11.0210 k = 0.3810 0.4312-0.0000 ( 4110 PWs) bands (ev): -27.1509 -27.1509 -27.1436 -27.1436 -10.0941 -10.0941 -10.0433 -10.0433 -9.1008 -9.1008 -9.0090 -9.0090 -8.8297 -8.8297 -8.7863 -8.7863 -6.9093 -6.9093 -6.7766 -6.7766 -3.1297 -3.1297 -3.0917 -3.0917 2.5727 2.5727 2.6965 2.6965 3.0860 3.0860 3.5887 3.5887 3.5907 3.5907 4.3507 4.3507 4.5963 4.5963 6.3943 6.3943 6.4086 6.4086 7.5598 7.5598 10.2439 10.2439 10.4635 10.4635 10.5072 10.5072 10.9416 10.9416 k = 0.3929 0.4446-0.0000 ( 4110 PWs) bands (ev): -27.1515 -27.1515 -27.1430 -27.1430 -10.0993 -10.0993 -10.0431 -10.0431 -9.1063 -9.1063 -9.0122 -9.0122 -8.8233 -8.8233 -8.7846 -8.7846 -6.8969 -6.8969 -6.7808 -6.7808 -3.1260 -3.1260 -3.0871 -3.0871 2.5477 2.5477 2.7074 2.7074 3.0817 3.0817 3.5854 3.5854 3.5873 3.5873 4.3207 4.3207 4.6348 4.6348 6.4020 6.4020 6.4153 6.4153 7.5718 7.5718 10.2279 10.2279 10.4674 10.4674 10.5113 10.5113 10.8648 10.8648 k = 0.4048 0.4581-0.0000 ( 4102 PWs) bands (ev): -27.1520 -27.1520 -27.1425 -27.1425 -10.1041 -10.1041 -10.0429 -10.0429 -9.1112 -9.1112 -9.0152 -9.0152 -8.8174 -8.8174 -8.7830 -8.7830 -6.8856 -6.8856 -6.7845 -6.7845 -3.1226 -3.1226 -3.0829 -3.0829 2.5235 2.5235 2.7173 2.7173 3.0797 3.0797 3.5823 3.5823 3.5842 3.5842 4.2934 4.2934 4.6702 4.6702 6.4091 6.4091 6.4214 6.4214 7.5829 7.5829 10.2174 10.2174 10.4711 10.4711 10.5152 10.5152 10.7911 10.7911 k = 0.4167 0.4716-0.0000 ( 4094 PWs) bands (ev): -27.1525 -27.1525 -27.1420 -27.1420 -10.1084 -10.1084 -10.0428 -10.0428 -9.1156 -9.1156 -9.0178 -9.0178 -8.8121 -8.8121 -8.7816 -8.7816 -6.8755 -6.8755 -6.7879 -6.7879 -3.1196 -3.1196 -3.0792 -3.0792 2.5008 2.5008 2.7263 2.7263 3.0790 3.0790 3.5796 3.5796 3.5814 3.5814 4.2690 4.2690 4.7022 4.7022 6.4155 6.4155 6.4269 6.4269 7.5928 7.5928 10.2126 10.2126 10.4744 10.4744 10.5187 10.5187 10.7206 10.7206 k = 0.4286 0.4850-0.0000 ( 4082 PWs) bands (ev): -27.1529 -27.1529 -27.1416 -27.1416 -10.1123 -10.1123 -10.0427 -10.0427 -9.1193 -9.1193 -9.0201 -9.0201 -8.8074 -8.8074 -8.7804 -8.7804 -6.8667 -6.8667 -6.7908 -6.7908 -3.1169 -3.1169 -3.0760 -3.0760 2.4802 2.4802 2.7343 2.7343 3.0793 3.0793 3.5772 3.5772 3.5789 3.5789 4.2477 4.2477 4.7305 4.7305 6.4212 6.4212 6.4319 6.4319 7.6016 7.6016 10.2135 10.2135 10.4774 10.4774 10.5218 10.5218 10.6536 10.6536 k = 0.4405 0.4985-0.0000 ( 4082 PWs) bands (ev): -27.1532 -27.1532 -27.1412 -27.1412 -10.1156 -10.1156 -10.0427 -10.0427 -9.1224 -9.1224 -9.0220 -9.0220 -8.8034 -8.8034 -8.7794 -8.7794 -6.8592 -6.8592 -6.7933 -6.7933 -3.1146 -3.1146 -3.0732 -3.0732 2.4622 2.4622 2.7412 2.7412 3.0801 3.0801 3.5751 3.5751 3.5768 3.5768 4.2294 4.2294 4.7549 4.7549 6.4261 6.4261 6.4361 6.4361 7.6092 7.6092 10.2203 10.2203 10.4800 10.4800 10.5245 10.5245 10.5905 10.5905 k = 0.4524 0.5120-0.0000 ( 4074 PWs) bands (ev): -27.1535 -27.1535 -27.1409 -27.1409 -10.1183 -10.1183 -10.0426 -10.0426 -9.1249 -9.1249 -9.0236 -9.0236 -8.8000 -8.8000 -8.7785 -8.7785 -6.8530 -6.8530 -6.7954 -6.7954 -3.1127 -3.1127 -3.0709 -3.0709 2.4471 2.4471 2.7469 2.7469 3.0811 3.0811 3.5734 3.5734 3.5750 3.5750 4.2144 4.2144 4.7752 4.7752 6.4301 6.4301 6.4396 6.4396 7.6155 7.6155 10.2329 10.2329 10.4821 10.4821 10.5251 10.5251 10.5329 10.5329 k = 0.4643 0.5255-0.0000 ( 4074 PWs) bands (ev): -27.1537 -27.1537 -27.1407 -27.1407 -10.1205 -10.1205 -10.0426 -10.0426 -9.1269 -9.1269 -9.0249 -9.0249 -8.7974 -8.7974 -8.7778 -8.7778 -6.8482 -6.8482 -6.7970 -6.7970 -3.1113 -3.1113 -3.0691 -3.0691 2.4350 2.4350 2.7514 2.7514 3.0822 3.0822 3.5720 3.5720 3.5736 3.5736 4.2026 4.2026 4.7911 4.7911 6.4333 6.4333 6.4424 6.4424 7.6205 7.6205 10.2512 10.2512 10.4760 10.4760 10.4838 10.4838 10.5290 10.5290 k = 0.4762 0.5389-0.0000 ( 4074 PWs) bands (ev): -27.1539 -27.1539 -27.1405 -27.1405 -10.1221 -10.1221 -10.0426 -10.0426 -9.1283 -9.1283 -9.0258 -9.0258 -8.7955 -8.7955 -8.7774 -8.7774 -6.8447 -6.8447 -6.7982 -6.7982 -3.1102 -3.1102 -3.0678 -3.0678 2.4263 2.4263 2.7546 2.7546 3.0830 3.0830 3.5711 3.5711 3.5726 3.5726 4.1941 4.1941 4.8026 4.8026 6.4356 6.4356 6.4444 6.4444 7.6240 7.6240 10.2753 10.2753 10.4258 10.4258 10.4851 10.4851 10.5302 10.5302 k = 0.4881 0.5524-0.0000 ( 4082 PWs) bands (ev): -27.1540 -27.1540 -27.1404 -27.1404 -10.1230 -10.1230 -10.0425 -10.0425 -9.1291 -9.1291 -9.0264 -9.0264 -8.7943 -8.7943 -8.7771 -8.7771 -6.8426 -6.8426 -6.7989 -6.7989 -3.1096 -3.1096 -3.0671 -3.0671 2.4211 2.4211 2.7566 2.7566 3.0835 3.0835 3.5705 3.5705 3.5720 3.5720 4.1891 4.1891 4.8096 4.8096 6.4370 6.4370 6.4456 6.4456 7.6262 7.6262 10.3049 10.3049 10.3804 10.3804 10.4858 10.4858 10.5310 10.5310 k = 0.5000 0.5659-0.0000 ( 4086 PWs) bands (ev): -27.1540 -27.1540 -27.1404 -27.1404 -10.1233 -10.1233 -10.0425 -10.0425 -9.1294 -9.1294 -9.0265 -9.0265 -8.7939 -8.7939 -8.7770 -8.7770 -6.8419 -6.8419 -6.7991 -6.7991 -3.1094 -3.1094 -3.0668 -3.0668 2.4193 2.4193 2.7572 2.7572 3.0837 3.0837 3.5703 3.5703 3.5718 3.5718 4.1874 4.1874 4.8119 4.8119 6.4375 6.4375 6.4460 6.4460 7.6269 7.6269 10.3397 10.3397 10.3404 10.3404 10.4861 10.4861 10.5312 10.5312 k = 0.5000 0.5659-0.0000 ( 4086 PWs) bands (ev): -27.1540 -27.1540 -27.1404 -27.1404 -10.1233 -10.1233 -10.0425 -10.0425 -9.1294 -9.1294 -9.0265 -9.0265 -8.7939 -8.7939 -8.7770 -8.7770 -6.8419 -6.8419 -6.7991 -6.7991 -3.1094 -3.1094 -3.0668 -3.0668 2.4193 2.4193 2.7572 2.7572 3.0837 3.0837 3.5703 3.5703 3.5718 3.5718 4.1874 4.1874 4.8119 4.8119 6.4375 6.4375 6.4460 6.4460 7.6269 7.6269 10.3397 10.3397 10.3404 10.3404 10.4861 10.4861 10.5312 10.5312 k = 0.4910 0.5738 0.0120 ( 4082 PWs) bands (ev): -27.1540 -27.1540 -27.1404 -27.1404 -10.1232 -10.1232 -10.0425 -10.0425 -9.1293 -9.1293 -9.0265 -9.0265 -8.7939 -8.7939 -8.7771 -8.7771 -6.8420 -6.8420 -6.7991 -6.7991 -3.1096 -3.1096 -3.0671 -3.0671 2.4205 2.4205 2.7531 2.7531 3.0793 3.0793 3.5736 3.5736 3.5761 3.5761 4.1923 4.1923 4.8114 4.8114 6.4370 6.4370 6.4456 6.4456 7.6234 7.6234 10.3184 10.3184 10.3431 10.3431 10.4925 10.4925 10.5422 10.5422 k = 0.4820 0.5818 0.0240 ( 4080 PWs) bands (ev): -27.1540 -27.1540 -27.1403 -27.1403 -10.1230 -10.1230 -10.0424 -10.0424 -9.1290 -9.1290 -9.0265 -9.0265 -8.7940 -8.7940 -8.7774 -8.7774 -6.8423 -6.8423 -6.7990 -6.7990 -3.1102 -3.1102 -3.0678 -3.0678 2.4239 2.4239 2.7408 2.7408 3.0666 3.0666 3.5818 3.5818 3.5903 3.5903 4.2068 4.2068 4.8100 4.8100 6.4354 6.4354 6.4443 6.4443 7.6128 7.6128 10.2719 10.2719 10.3513 10.3513 10.4881 10.4881 10.5815 10.5815 k = 0.4730 0.5897 0.0360 ( 4088 PWs) bands (ev): -27.1541 -27.1541 -27.1403 -27.1403 -10.1226 -10.1226 -10.0423 -10.0423 -9.1284 -9.1284 -9.0265 -9.0265 -8.7941 -8.7941 -8.7779 -8.7779 -6.8429 -6.8429 -6.7989 -6.7989 -3.1114 -3.1114 -3.0687 -3.0687 2.4297 2.4297 2.7210 2.7210 3.0469 3.0469 3.5949 3.5949 3.6128 3.6128 4.2305 4.2305 4.8077 4.8077 6.4323 6.4323 6.4425 6.4425 7.5955 7.5955 10.2172 10.2172 10.3649 10.3649 10.4699 10.4699 10.6354 10.6354 k = 0.4640 0.5977 0.0480 ( 4092 PWs) bands (ev): -27.1541 -27.1541 -27.1403 -27.1403 -10.1220 -10.1220 -10.0420 -10.0420 -9.1277 -9.1277 -9.0264 -9.0264 -8.7943 -8.7943 -8.7785 -8.7785 -6.8436 -6.8436 -6.7988 -6.7988 -3.1133 -3.1133 -3.0698 -3.0698 2.4378 2.4378 2.6947 2.6947 3.0218 3.0218 3.6126 3.6126 3.6418 3.6418 4.2627 4.2627 4.8045 4.8045 6.4274 6.4274 6.4406 6.4406 7.5716 7.5716 10.1598 10.1598 10.3839 10.3839 10.4423 10.4423 10.6940 10.6940 k = 0.4551 0.6056 0.0600 ( 4100 PWs) bands (ev): -27.1542 -27.1542 -27.1402 -27.1402 -10.1213 -10.1213 -10.0417 -10.0417 -9.1267 -9.1267 -9.0263 -9.0263 -8.7944 -8.7944 -8.7794 -8.7794 -6.8446 -6.8446 -6.7988 -6.7988 -3.1163 -3.1163 -3.0705 -3.0705 2.4481 2.4481 2.6630 2.6630 2.9927 2.9927 3.6346 3.6346 3.6758 3.6758 4.3025 4.3025 4.8005 4.8005 6.4207 6.4207 6.4387 6.4387 7.5415 7.5415 10.1016 10.1016 10.4059 10.4059 10.4091 10.4091 10.7543 10.7543 k = 0.4461 0.6135 0.0720 ( 4108 PWs) bands (ev): -27.1543 -27.1543 -27.1401 -27.1401 -10.1204 -10.1204 -10.0414 -10.0414 -9.1255 -9.1255 -9.0262 -9.0262 -8.7946 -8.7946 -8.7805 -8.7805 -6.8457 -6.8457 -6.7988 -6.7988 -3.1205 -3.1205 -3.0708 -3.0708 2.4607 2.4607 2.6271 2.6271 2.9608 2.9608 3.6606 3.6606 3.7136 3.7136 4.3491 4.3491 4.7957 4.7957 6.4123 6.4123 6.4366 6.4366 7.5057 7.5057 10.0436 10.0436 10.3639 10.3639 10.4378 10.4378 10.8151 10.8151 k = 0.4371 0.6215 0.0840 ( 4106 PWs) bands (ev): -27.1544 -27.1544 -27.1400 -27.1400 -10.1194 -10.1194 -10.0410 -10.0410 -9.1241 -9.1241 -9.0260 -9.0260 -8.7949 -8.7949 -8.7817 -8.7817 -6.8469 -6.8469 -6.7989 -6.7989 -3.1260 -3.1260 -3.0704 -3.0704 2.4753 2.4753 2.5879 2.5879 2.9269 2.9269 3.6902 3.6902 3.7542 3.7542 4.4016 4.4016 4.7901 4.7901 6.4022 6.4022 6.4343 6.4343 7.4646 7.4646 9.9861 9.9861 10.3145 10.3145 10.4726 10.4726 10.8754 10.8754 k = 0.4281 0.6294 0.0960 ( 4104 PWs) bands (ev): -27.1545 -27.1545 -27.1399 -27.1399 -10.1183 -10.1183 -10.0405 -10.0405 -9.1225 -9.1225 -9.0258 -9.0258 -8.7951 -8.7951 -8.7831 -8.7831 -6.8482 -6.8482 -6.7992 -6.7992 -3.1328 -3.1328 -3.0693 -3.0693 2.4920 2.4920 2.5465 2.5465 2.8918 2.8918 3.7230 3.7230 3.7969 3.7969 4.4590 4.4590 4.7838 4.7838 6.3905 6.3905 6.4317 6.4317 7.4188 7.4188 9.9296 9.9296 10.2592 10.2592 10.5125 10.5125 10.9345 10.9345 k = 0.4191 0.6374 0.1079 ( 4094 PWs) bands (ev): -27.1546 -27.1546 -27.1398 -27.1398 -10.1170 -10.1170 -10.0399 -10.0399 -9.1207 -9.1207 -9.0255 -9.0255 -8.7954 -8.7954 -8.7847 -8.7847 -6.8496 -6.8496 -6.7998 -6.7998 -3.1407 -3.1407 -3.0676 -3.0676 2.5014 2.5014 2.5129 2.5129 2.8559 2.8559 3.7590 3.7590 3.8412 3.8412 4.5206 4.5206 4.7770 4.7770 6.3774 6.3774 6.4289 6.4289 7.3687 7.3687 9.8743 9.8743 10.1989 10.1989 10.5574 10.5574 10.9915 10.9915 k = 0.4101 0.6453 0.1199 ( 4102 PWs) bands (ev): -27.1548 -27.1548 -27.1397 -27.1397 -10.1157 -10.1157 -10.0392 -10.0392 -9.1187 -9.1187 -9.0251 -9.0251 -8.7957 -8.7957 -8.7864 -8.7864 -6.8511 -6.8511 -6.8008 -6.8008 -3.1495 -3.1495 -3.0654 -3.0654 2.4589 2.4589 2.5323 2.5323 2.8195 2.8195 3.7977 3.7977 3.8865 3.8865 4.5856 4.5856 4.7697 4.7697 6.3628 6.3628 6.4258 6.4258 7.3150 7.3150 9.8203 9.8203 10.1343 10.1343 10.6072 10.6072 11.0449 11.0449 k = 0.4101 0.6453 0.1199 ( 4102 PWs) bands (ev): -27.1548 -27.1548 -27.1397 -27.1397 -10.1157 -10.1157 -10.0392 -10.0392 -9.1187 -9.1187 -9.0251 -9.0251 -8.7957 -8.7957 -8.7864 -8.7864 -6.8511 -6.8511 -6.8008 -6.8008 -3.1495 -3.1495 -3.0654 -3.0654 2.4589 2.4589 2.5323 2.5323 2.8195 2.8195 3.7977 3.7977 3.8865 3.8865 4.5856 4.5856 4.7697 4.7697 6.3628 6.3628 6.4258 6.4258 7.3150 7.3150 9.8203 9.8203 10.1343 10.1343 10.6072 10.6072 11.0449 11.0449 k = 0.3949 0.6401 0.1279 ( 4110 PWs) bands (ev): -27.1549 -27.1549 -27.1396 -27.1396 -10.1145 -10.1145 -10.0387 -10.0387 -9.1171 -9.1171 -9.0246 -9.0246 -8.7961 -8.7961 -8.7877 -8.7877 -6.8524 -6.8524 -6.8015 -6.8015 -3.1558 -3.1558 -3.0639 -3.0639 2.4297 2.4297 2.5476 2.5476 2.7956 2.7956 3.8248 3.8248 3.9170 3.9170 4.6305 4.6305 4.7634 4.7634 6.3522 6.3522 6.4234 6.4234 7.2775 7.2775 9.7863 9.7863 10.0897 10.0897 10.6405 10.6405 11.0813 11.0813 k = 0.3797 0.6348 0.1358 ( 4116 PWs) bands (ev): -27.1549 -27.1549 -27.1395 -27.1395 -10.1130 -10.1130 -10.0382 -10.0382 -9.1151 -9.1151 -9.0239 -9.0239 -8.7970 -8.7970 -8.7892 -8.7892 -6.8543 -6.8543 -6.8022 -6.8022 -3.1623 -3.1623 -3.0627 -3.0627 2.4003 2.4003 2.5643 2.5643 2.7729 2.7729 3.8533 3.8533 3.9480 3.9480 4.6765 4.6765 4.7552 4.7552 6.3409 6.3409 6.4203 6.4203 7.2382 7.2382 9.7544 9.7544 10.0437 10.0437 10.6709 10.6709 11.1230 11.1230 k = 0.3645 0.6296 0.1437 ( 4112 PWs) bands (ev): -27.1550 -27.1550 -27.1395 -27.1395 -10.1112 -10.1112 -10.0377 -10.0377 -9.1127 -9.1127 -9.0229 -9.0229 -8.7983 -8.7983 -8.7909 -8.7909 -6.8568 -6.8568 -6.8031 -6.8031 -3.1690 -3.1690 -3.0617 -3.0617 2.3711 2.3711 2.5809 2.5809 2.7527 2.7527 3.8830 3.8830 3.9795 3.9795 4.7162 4.7162 4.7523 4.7523 6.3289 6.3289 6.4167 6.4167 7.1974 7.1974 9.7243 9.7243 9.9967 9.9967 10.6984 10.6984 11.1684 11.1684 k = 0.3494 0.6243 0.1516 ( 4105 PWs) bands (ev): -27.1549 -27.1549 -27.1396 -27.1396 -10.1090 -10.1090 -10.0372 -10.0372 -9.1100 -9.1100 -9.0217 -9.0217 -8.8002 -8.8002 -8.7928 -8.7928 -6.8597 -6.8597 -6.8040 -6.8040 -3.1756 -3.1756 -3.0611 -3.0611 2.3421 2.3421 2.5944 2.5944 2.7381 2.7381 3.9138 3.9138 4.0114 4.0114 4.7175 4.7175 4.7866 4.7866 6.3164 6.3164 6.4126 6.4126 7.1553 7.1553 9.6957 9.6957 9.9487 9.9487 10.7235 10.7235 11.2150 11.2150 k = 0.3342 0.6191 0.1595 ( 4106 PWs) bands (ev): -27.1549 -27.1549 -27.1396 -27.1396 -10.1065 -10.1065 -10.0366 -10.0366 -9.1068 -9.1068 -9.0201 -9.0201 -8.8025 -8.8025 -8.7950 -8.7950 -6.8630 -6.8630 -6.8051 -6.8051 -3.1822 -3.1822 -3.0608 -3.0608 2.3138 2.3138 2.5996 2.5996 2.7340 2.7340 3.9455 3.9455 4.0435 4.0435 4.7015 4.7015 4.8370 4.8370 6.3035 6.3035 6.4079 6.4079 7.1121 7.1121 9.6683 9.6683 9.9002 9.9002 10.7469 10.7469 11.2592 11.2592 k = 0.3190 0.6139 0.1674 ( 4108 PWs) bands (ev): -27.1548 -27.1548 -27.1397 -27.1397 -10.1038 -10.1038 -10.0360 -10.0360 -9.1033 -9.1033 -9.0183 -9.0183 -8.8052 -8.8052 -8.7974 -8.7974 -6.8666 -6.8666 -6.8063 -6.8063 -3.1885 -3.1885 -3.0609 -3.0609 2.2862 2.2862 2.5930 2.5930 2.7440 2.7440 3.9778 3.9778 4.0759 4.0759 4.6811 4.6811 4.8903 4.8903 6.2905 6.2905 6.4027 6.4027 7.0680 7.0680 9.6418 9.6418 9.8513 9.8513 10.7695 10.7695 11.2969 11.2969 k = 0.3038 0.6086 0.1753 ( 4102 PWs) bands (ev): -27.1547 -27.1547 -27.1399 -27.1399 -10.1008 -10.1008 -10.0354 -10.0354 -9.0994 -9.0994 -9.0161 -9.0161 -8.8084 -8.8084 -8.8000 -8.8000 -6.8704 -6.8704 -6.8079 -6.8079 -3.1945 -3.1945 -3.0615 -3.0615 2.2596 2.2596 2.5764 2.5764 2.7661 2.7661 4.0105 4.0105 4.1084 4.1084 4.6578 4.6578 4.9451 4.9451 6.2775 6.2775 6.3970 6.3970 7.0231 7.0231 9.6159 9.6159 9.8024 9.8024 10.7920 10.7920 11.3249 11.3249 k = 0.2886 0.6034 0.1833 ( 4102 PWs) bands (ev): -27.1546 -27.1546 -27.1400 -27.1400 -10.0976 -10.0976 -10.0348 -10.0348 -9.0952 -9.0952 -9.0137 -9.0137 -8.8119 -8.8119 -8.8029 -8.8029 -6.8744 -6.8744 -6.8097 -6.8097 -3.2001 -3.2001 -3.0625 -3.0625 2.2341 2.2341 2.5541 2.5541 2.7961 2.7961 4.0432 4.0432 4.1408 4.1408 4.6319 4.6319 5.0010 5.0010 6.2646 6.2646 6.3909 6.3909 6.9777 6.9777 9.5902 9.5902 9.7537 9.7537 10.8154 10.8154 11.3426 11.3426 k = 0.2734 0.5982 0.1912 ( 4096 PWs) bands (ev): -27.1544 -27.1544 -27.1402 -27.1402 -10.0942 -10.0942 -10.0342 -10.0342 -9.0906 -9.0906 -9.0110 -9.0110 -8.8159 -8.8159 -8.8061 -8.8061 -6.8783 -6.8783 -6.8117 -6.8117 -3.2050 -3.2050 -3.0640 -3.0640 2.2099 2.2099 2.5287 2.5287 2.8312 2.8312 4.0757 4.0757 4.1732 4.1732 4.6039 4.6039 5.0577 5.0577 6.2522 6.2522 6.3843 6.3843 6.9317 6.9317 9.5645 9.5645 9.7053 9.7053 10.8402 10.8402 11.3514 11.3514 k = 0.2582 0.5929 0.1991 ( 4096 PWs) bands (ev): -27.1542 -27.1542 -27.1404 -27.1404 -10.0906 -10.0906 -10.0336 -10.0336 -9.0857 -9.0857 -9.0081 -9.0081 -8.8203 -8.8203 -8.8094 -8.8094 -6.8822 -6.8822 -6.8141 -6.8141 -3.2094 -3.2094 -3.0660 -3.0660 2.1872 2.1872 2.5016 2.5016 2.8699 2.8699 4.1076 4.1076 4.2052 4.2052 4.5740 4.5740 5.1151 5.1151 6.2402 6.2402 6.3774 6.3774 6.8855 6.8855 9.5386 9.5386 9.6577 9.6577 10.8669 10.8669 11.3542 11.3542 k = 0.2430 0.5877 0.2070 ( 4096 PWs) bands (ev): -27.1540 -27.1540 -27.1407 -27.1407 -10.0870 -10.0870 -10.0330 -10.0330 -9.0804 -9.0804 -9.0048 -9.0048 -8.8251 -8.8251 -8.8130 -8.8130 -6.8860 -6.8860 -6.8169 -6.8169 -3.2131 -3.2131 -3.0686 -3.0686 2.1660 2.1660 2.4737 2.4737 2.9115 2.9115 4.1383 4.1383 4.2367 4.2367 4.5427 4.5427 5.1729 5.1729 6.2290 6.2290 6.3701 6.3701 6.8390 6.8390 9.5123 9.5123 9.6110 9.6110 10.8958 10.8958 11.3537 11.3537 k = 0.2278 0.5824 0.2149 ( 4092 PWs) bands (ev): -27.1537 -27.1537 -27.1410 -27.1410 -10.0832 -10.0832 -10.0325 -10.0325 -9.0749 -9.0749 -9.0014 -9.0014 -8.8301 -8.8301 -8.8169 -8.8169 -6.8896 -6.8896 -6.8200 -6.8200 -3.2160 -3.2160 -3.0717 -3.0717 2.1465 2.1465 2.4452 2.4452 2.9554 2.9554 4.1672 4.1672 4.2676 4.2676 4.5107 4.5107 5.2311 5.2311 6.2187 6.2187 6.3625 6.3625 6.7924 6.7924 9.4856 9.4856 9.5655 9.5655 10.9270 10.9270 11.3519 11.3519 k = 0.2127 0.5772 0.2228 ( 4090 PWs) bands (ev): -27.1535 -27.1535 -27.1413 -27.1413 -10.0795 -10.0795 -10.0320 -10.0320 -9.0690 -9.0690 -8.9977 -8.9977 -8.8355 -8.8355 -8.8210 -8.8210 -6.8928 -6.8928 -6.8234 -6.8234 -3.2180 -3.2180 -3.0753 -3.0753 2.1288 2.1288 2.4166 2.4166 3.0012 3.0012 4.1931 4.1931 4.2976 4.2976 4.4789 4.4789 5.2894 5.2894 6.2093 6.2093 6.3546 6.3546 6.7457 6.7457 9.4586 9.4586 9.5215 9.5215 10.9606 10.9606 11.3501 11.3501 k = 0.1975 0.5720 0.2307 ( 4082 PWs) bands (ev): -27.1531 -27.1531 -27.1416 -27.1416 -10.0757 -10.0757 -10.0315 -10.0315 -9.0629 -9.0629 -8.9939 -8.9939 -8.8412 -8.8412 -8.8253 -8.8253 -6.8958 -6.8958 -6.8271 -6.8271 -3.2193 -3.2193 -3.0794 -3.0794 2.1129 2.1129 2.3881 2.3881 3.0488 3.0488 4.2139 4.2139 4.3264 4.3264 4.4495 4.4495 5.3477 5.3477 6.2011 6.2011 6.3465 6.3465 6.6990 6.6990 9.4312 9.4312 9.4793 9.4793 10.9964 10.9964 11.3494 11.3494 k = 0.1823 0.5667 0.2386 ( 4083 PWs) bands (ev): -27.1528 -27.1528 -27.1420 -27.1420 -10.0719 -10.0719 -10.0312 -10.0312 -9.0565 -9.0565 -8.9899 -8.9899 -8.8470 -8.8470 -8.8298 -8.8298 -6.8983 -6.8983 -6.8311 -6.8311 -3.2197 -3.2197 -3.0841 -3.0841 2.0990 2.0990 2.3598 2.3598 3.0979 3.0979 4.2263 4.2263 4.3537 4.3537 4.4261 4.4261 5.4059 5.4059 6.1941 6.1941 6.3381 6.3381 6.6524 6.6524 9.4036 9.4036 9.4390 9.4390 11.0340 11.0340 11.3503 11.3503 k = 0.1671 0.5615 0.2466 ( 4079 PWs) bands (ev): -27.1525 -27.1525 -27.1424 -27.1424 -10.0682 -10.0682 -10.0309 -10.0309 -9.0499 -9.0499 -8.9858 -8.9858 -8.8530 -8.8530 -8.8345 -8.8345 -6.9003 -6.9003 -6.8355 -6.8355 -3.2192 -3.2192 -3.0892 -3.0892 2.0871 2.0871 2.3320 2.3320 3.1483 3.1483 4.2253 4.2253 4.3786 4.3786 4.4138 4.4138 5.4638 5.4638 6.1884 6.1884 6.3296 6.3296 6.6059 6.6059 9.3760 9.3760 9.4012 9.4012 11.0727 11.0727 11.3531 11.3531 k = 0.1519 0.5562 0.2545 ( 4072 PWs) bands (ev): -27.1521 -27.1521 -27.1428 -27.1428 -10.0646 -10.0646 -10.0307 -10.0307 -9.0431 -9.0431 -8.9816 -8.9816 -8.8592 -8.8592 -8.8394 -8.8394 -6.9019 -6.9019 -6.8400 -6.8400 -3.2179 -3.2179 -3.0948 -3.0948 2.0773 2.0773 2.3048 2.3048 3.1997 3.1997 4.2087 4.2087 4.3988 4.3988 4.4172 4.4172 5.5214 5.5214 6.1840 6.1840 6.3209 6.3209 6.5596 6.5596 9.3486 9.3486 9.3661 9.3661 11.1113 11.1113 11.3561 11.3561 k = 0.1367 0.5510 0.2624 ( 4073 PWs) bands (ev): -27.1517 -27.1517 -27.1432 -27.1432 -10.0611 -10.0611 -10.0306 -10.0306 -9.0361 -9.0361 -8.9775 -8.9775 -8.8653 -8.8653 -8.8445 -8.8445 -6.9030 -6.9030 -6.8448 -6.8448 -3.2157 -3.2157 -3.1009 -3.1009 2.0696 2.0696 2.2784 2.2784 3.2521 3.2521 4.1792 4.1792 4.4140 4.4140 4.4335 4.4335 5.5784 5.5784 6.1808 6.1808 6.3121 6.3121 6.5135 6.5135 9.3214 9.3214 9.3342 9.3342 11.1484 11.1484 11.3507 11.3507 k = 0.1215 0.5458 0.2703 ( 4071 PWs) bands (ev): -27.1513 -27.1513 -27.1436 -27.1436 -10.0577 -10.0577 -10.0307 -10.0307 -9.0289 -9.0289 -8.9736 -8.9736 -8.8712 -8.8712 -8.8497 -8.8497 -6.9035 -6.9035 -6.8497 -6.8497 -3.2127 -3.2127 -3.1073 -3.1073 2.0640 2.0640 2.2529 2.2529 3.3053 3.3053 4.1413 4.1413 4.4296 4.4296 4.4524 4.4524 5.6347 5.6347 6.1786 6.1786 6.3033 6.3033 6.4679 6.4679 9.2948 9.2948 9.3059 9.3059 11.1820 11.1820 11.3397 11.3397 k = 0.1063 0.5405 0.2782 ( 4069 PWs) bands (ev): -27.1508 -27.1508 -27.1441 -27.1441 -10.0545 -10.0545 -10.0309 -10.0309 -9.0216 -9.0216 -8.9700 -8.9700 -8.8769 -8.8769 -8.8549 -8.8549 -6.9034 -6.9034 -6.8547 -6.8547 -3.2090 -3.2090 -3.1141 -3.1141 2.0607 2.0607 2.2285 2.2285 3.3592 3.3592 4.0983 4.0983 4.4461 4.4461 4.4701 4.4701 5.6903 5.6903 6.1771 6.1771 6.2943 6.2943 6.4229 6.4229 9.2697 9.2697 9.2808 9.2808 11.2101 11.2101 11.3289 11.3289 k = 0.0911 0.5353 0.2861 ( 4066 PWs) bands (ev): -27.1504 -27.1504 -27.1445 -27.1445 -10.0514 -10.0514 -10.0313 -10.0313 -9.0143 -9.0143 -8.9669 -8.9669 -8.8821 -8.8821 -8.8602 -8.8602 -6.9027 -6.9027 -6.8598 -6.8598 -3.2045 -3.2045 -3.1212 -3.1212 2.0595 2.0595 2.2052 2.2052 3.4135 3.4135 4.0521 4.0521 4.4623 4.4623 4.4855 4.4855 5.7451 5.7451 6.1759 6.1759 6.2854 6.2854 6.3791 6.3791 9.2471 9.2471 9.2584 9.2584 11.2317 11.2317 11.3191 11.3191 k = 0.0759 0.5300 0.2940 ( 4063 PWs) bands (ev): -27.1499 -27.1499 -27.1450 -27.1450 -10.0485 -10.0485 -10.0318 -10.0318 -9.0069 -9.0069 -8.9647 -8.9647 -8.8864 -8.8864 -8.8655 -8.8655 -6.9015 -6.9015 -6.8649 -6.8649 -3.1994 -3.1994 -3.1286 -3.1286 2.0606 2.0606 2.1833 2.1833 3.4682 3.4682 4.0036 4.0036 4.4774 4.4774 4.4985 4.4985 5.7989 5.7989 6.1737 6.1737 6.2763 6.2763 6.3376 6.3376 9.2277 9.2277 9.2387 9.2387 11.2476 11.2476 11.3107 11.3107 k = 0.0608 0.5248 0.3020 ( 4062 PWs) bands (ev): -27.1495 -27.1495 -27.1455 -27.1455 -10.0459 -10.0459 -10.0325 -10.0325 -8.9996 -8.9996 -8.9636 -8.9636 -8.8897 -8.8897 -8.8707 -8.8707 -6.8998 -6.8998 -6.8698 -6.8698 -3.1937 -3.1937 -3.1361 -3.1361 2.0638 2.0638 2.1629 2.1629 3.5230 3.5230 3.9534 3.9534 4.4909 4.4909 4.5088 4.5088 5.8517 5.8517 6.1680 6.1680 6.2668 6.2668 6.3011 6.3011 9.2118 9.2118 9.2217 9.2217 11.2589 11.2589 11.3035 11.3035 k = 0.0456 0.5196 0.3099 ( 4065 PWs) bands (ev): -27.1490 -27.1490 -27.1460 -27.1460 -10.0434 -10.0434 -10.0334 -10.0334 -8.9925 -8.9925 -8.9639 -8.9639 -8.8915 -8.8915 -8.8757 -8.8757 -6.8975 -6.8975 -6.8747 -6.8747 -3.1875 -3.1875 -3.1437 -3.1437 2.0691 2.0691 2.1440 2.1440 3.5780 3.5780 3.9019 3.9019 4.5022 4.5022 4.5163 4.5163 5.9033 5.9033 6.1542 6.1542 6.2564 6.2564 6.2746 6.2746 9.1997 9.1997 9.2078 9.2078 11.2672 11.2672 11.2974 11.2974 k = 0.0304 0.5143 0.3178 ( 4069 PWs) bands (ev): -27.1485 -27.1485 -27.1465 -27.1465 -10.0412 -10.0412 -10.0345 -10.0345 -8.9858 -8.9858 -8.9658 -8.9658 -8.8918 -8.8918 -8.8804 -8.8804 -6.8947 -6.8947 -6.8793 -6.8793 -3.1808 -3.1808 -3.1514 -3.1514 2.0766 2.0766 2.1268 2.1268 3.6329 3.6329 3.8493 3.8493 4.5113 4.5113 4.5209 4.5209 5.9536 5.9536 6.1283 6.1283 6.2474 6.2474 6.2602 6.2602 9.1914 9.1914 9.1972 9.1972 11.2734 11.2734 11.2921 11.2921 k = 0.0152 0.5091 0.3257 ( 4068 PWs) bands (ev): -27.1480 -27.1480 -27.1470 -27.1470 -10.0392 -10.0392 -10.0359 -10.0359 -8.9794 -8.9794 -8.9692 -8.9692 -8.8905 -8.8905 -8.8846 -8.8846 -6.8915 -6.8915 -6.8837 -6.8837 -3.1738 -3.1738 -3.1590 -3.1590 2.0862 2.0862 2.1114 2.1114 3.6877 3.6877 3.7960 3.7960 4.5178 4.5178 4.5227 4.5227 6.0023 6.0023 6.0917 6.0917 6.2443 6.2443 6.2518 6.2518 9.1871 9.1871 9.1901 9.1901 11.2785 11.2785 11.2874 11.2874 k = 0.0000 0.5038 0.3336 ( 4074 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0374 -10.0374 -10.0374 -10.0374 -8.9738 -8.9738 -8.9738 -8.9738 -8.8880 -8.8880 -8.8880 -8.8880 -6.8881 -6.8881 -6.8874 -6.8874 -3.1667 -3.1667 -3.1662 -3.1662 2.0977 2.0977 2.0979 2.0979 3.7418 3.7418 3.7423 3.7423 4.5215 4.5215 4.5217 4.5217 6.0486 6.0486 6.0489 6.0489 6.2462 6.2462 6.2466 6.2466 9.1866 9.1866 9.1869 9.1869 11.2830 11.2830 11.2830 11.2830 k = 0.0000 0.5038 0.3336 ( 4074 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0374 -10.0374 -10.0374 -10.0374 -8.9738 -8.9738 -8.9738 -8.9738 -8.8880 -8.8880 -8.8880 -8.8880 -6.8881 -6.8881 -6.8874 -6.8874 -3.1667 -3.1667 -3.1662 -3.1662 2.0977 2.0977 2.0979 2.0979 3.7418 3.7418 3.7423 3.7423 4.5215 4.5215 4.5217 4.5217 6.0486 6.0486 6.0489 6.0489 6.2462 6.2462 6.2466 6.2466 9.1866 9.1866 9.1869 9.1869 11.2830 11.2830 11.2830 11.2830 k = 0.0096 0.4953 0.3464 ( 4072 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0375 -10.0375 -10.0374 -10.0374 -8.9743 -8.9743 -8.9737 -8.9737 -8.8883 -8.8883 -8.8874 -8.8874 -6.8881 -6.8881 -6.8872 -6.8872 -3.1671 -3.1671 -3.1665 -3.1665 2.0991 2.0991 2.0998 2.0998 3.7421 3.7421 3.7430 3.7430 4.5187 4.5187 4.5203 4.5203 6.0462 6.0462 6.0495 6.0495 6.2444 6.2444 6.2481 6.2481 9.1899 9.1899 9.1903 9.1903 11.2805 11.2805 11.2807 11.2807 k = 0.0192 0.4868 0.3593 ( 4070 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0376 -10.0376 -10.0374 -10.0374 -8.9751 -8.9751 -8.9741 -8.9741 -8.8881 -8.8881 -8.8864 -8.8864 -6.8878 -6.8878 -6.8866 -6.8866 -3.1684 -3.1684 -3.1675 -3.1675 2.1038 2.1038 2.1051 2.1051 3.7430 3.7430 3.7447 3.7447 4.5115 4.5115 4.5146 4.5146 6.0418 6.0418 6.0483 6.0483 6.2422 6.2422 6.2494 6.2494 9.1998 9.1998 9.2004 9.2004 11.2734 11.2734 11.2739 11.2739 k = 0.0288 0.4783 0.3721 ( 4062 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0378 -10.0378 -10.0375 -10.0375 -8.9763 -8.9763 -8.9749 -8.9749 -8.8876 -8.8876 -8.8851 -8.8851 -6.8873 -6.8873 -6.8858 -6.8858 -3.1704 -3.1704 -3.1691 -3.1691 2.1117 2.1117 2.1137 2.1137 3.7449 3.7449 3.7472 3.7472 4.5000 4.5000 4.5047 4.5047 6.0358 6.0358 6.0454 6.0454 6.2397 6.2397 6.2504 6.2504 9.2162 9.2162 9.2169 9.2169 11.2626 11.2626 11.2634 11.2634 k = 0.0385 0.4699 0.3849 ( 4060 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0380 -10.0380 -10.0376 -10.0376 -8.9779 -8.9779 -8.9760 -8.9760 -8.8867 -8.8867 -8.8835 -8.8835 -6.8866 -6.8866 -6.8847 -6.8847 -3.1730 -3.1730 -3.1714 -3.1714 2.1229 2.1229 2.1255 2.1255 3.7475 3.7475 3.7506 3.7506 4.4844 4.4844 4.4905 4.4905 6.0284 6.0284 6.0408 6.0408 6.2371 6.2371 6.2509 6.2509 9.2387 9.2387 9.2397 9.2397 11.2493 11.2493 11.2502 11.2502 k = 0.0481 0.4614 0.3978 ( 4062 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0383 -10.0383 -10.0378 -10.0378 -8.9796 -8.9796 -8.9774 -8.9774 -8.8855 -8.8855 -8.8817 -8.8817 -6.8856 -6.8856 -6.8833 -6.8833 -3.1763 -3.1763 -3.1743 -3.1743 2.1372 2.1372 2.1405 2.1405 3.7508 3.7508 3.7548 3.7548 4.4647 4.4647 4.4723 4.4723 6.0198 6.0198 6.0349 6.0349 6.2343 6.2343 6.2509 6.2509 9.2671 9.2671 9.2683 9.2683 11.2343 11.2343 11.2354 11.2354 k = 0.0577 0.4529 0.4106 ( 4066 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0386 -10.0386 -10.0380 -10.0380 -8.9816 -8.9816 -8.9792 -8.9792 -8.8840 -8.8840 -8.8797 -8.8797 -6.8844 -6.8844 -6.8818 -6.8818 -3.1802 -3.1802 -3.1779 -3.1779 2.1547 2.1547 2.1586 2.1586 3.7548 3.7548 3.7596 3.7596 4.4411 4.4411 4.4501 4.4501 6.0106 6.0106 6.0280 6.0280 6.2313 6.2313 6.2505 6.2505 9.3008 9.3008 9.3021 9.3021 11.2186 11.2186 11.2200 11.2200 k = 0.0673 0.4444 0.4234 ( 4068 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0389 -10.0389 -10.0383 -10.0383 -8.9837 -8.9837 -8.9811 -8.9811 -8.8823 -8.8823 -8.8775 -8.8775 -6.8829 -6.8829 -6.8800 -6.8800 -3.1846 -3.1846 -3.1820 -3.1820 2.1752 2.1752 2.1797 2.1797 3.7594 3.7594 3.7649 3.7649 4.4137 4.4137 4.4240 4.4240 6.0009 6.0009 6.0204 6.0204 6.2280 6.2280 6.2494 6.2494 9.3393 9.3393 9.3407 9.3407 11.2029 11.2029 11.2044 11.2044 k = 0.0769 0.4359 0.4363 ( 4062 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0393 -10.0393 -10.0386 -10.0386 -8.9860 -8.9860 -8.9833 -8.9833 -8.8804 -8.8804 -8.8753 -8.8753 -6.8813 -6.8813 -6.8781 -6.8781 -3.1895 -3.1895 -3.1866 -3.1866 2.1986 2.1986 2.2036 2.2036 3.7643 3.7643 3.7707 3.7707 4.3829 4.3829 4.3944 4.3944 5.9911 5.9911 6.0127 6.0127 6.2243 6.2243 6.2477 6.2477 9.3820 9.3820 9.3834 9.3834 11.1877 11.1877 11.1893 11.1893 k = 0.0865 0.4274 0.4491 ( 4070 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0397 -10.0397 -10.0389 -10.0389 -8.9883 -8.9883 -8.9855 -8.9855 -8.8784 -8.8784 -8.8731 -8.8731 -6.8795 -6.8795 -6.8761 -6.8761 -3.1947 -3.1947 -3.1916 -3.1916 2.2248 2.2248 2.2303 2.2303 3.7695 3.7695 3.7768 3.7768 4.3487 4.3487 4.3615 4.3615 5.9818 5.9818 6.0051 6.0051 6.2203 6.2203 6.2454 6.2454 9.4282 9.4282 9.4296 9.4296 11.1732 11.1732 11.1749 11.1749 k = 0.0962 0.4189 0.4619 ( 4066 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0401 -10.0401 -10.0393 -10.0393 -8.9906 -8.9906 -8.9878 -8.9878 -8.8763 -8.8763 -8.8709 -8.8709 -6.8775 -6.8775 -6.8739 -6.8739 -3.2002 -3.2002 -3.1970 -3.1970 2.2537 2.2537 2.2596 2.2596 3.7748 3.7748 3.7829 3.7829 4.3117 4.3117 4.3257 4.3257 5.9731 5.9731 5.9980 5.9980 6.2156 6.2156 6.2424 6.2424 9.4771 9.4771 9.4785 9.4785 11.1597 11.1597 11.1615 11.1615 k = 0.1058 0.4104 0.4747 ( 4068 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0405 -10.0405 -10.0396 -10.0396 -8.9929 -8.9929 -8.9902 -8.9902 -8.8742 -8.8742 -8.8687 -8.8687 -6.8754 -6.8754 -6.8717 -6.8717 -3.2060 -3.2060 -3.2026 -3.2026 2.2850 2.2850 2.2912 2.2912 3.7799 3.7799 3.7889 3.7889 4.2721 4.2721 4.2872 4.2872 5.9654 5.9654 5.9918 5.9918 6.2104 6.2104 6.2385 6.2385 9.5280 9.5280 9.5293 9.5293 11.1473 11.1473 11.1492 11.1492 k = 0.1154 0.4019 0.4876 ( 4072 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0409 -10.0409 -10.0401 -10.0401 -8.9952 -8.9952 -8.9926 -8.9926 -8.8720 -8.8720 -8.8665 -8.8665 -6.8732 -6.8732 -6.8694 -6.8694 -3.2119 -3.2119 -3.2084 -3.2084 2.3185 2.3185 2.3251 2.3251 3.7845 3.7845 3.7945 3.7945 4.2305 4.2305 4.2467 4.2467 5.9589 5.9589 5.9867 5.9867 6.2046 6.2046 6.2339 6.2339 9.5800 9.5800 9.5812 9.5812 11.1362 11.1362 11.1381 11.1381 k = 0.1250 0.3934 0.5004 ( 4076 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0413 -10.0413 -10.0405 -10.0405 -8.9974 -8.9974 -8.9949 -8.9949 -8.8699 -8.8699 -8.8645 -8.8645 -6.8710 -6.8710 -6.8672 -6.8672 -3.2178 -3.2178 -3.2143 -3.2143 2.3540 2.3540 2.3609 2.3609 3.7884 3.7884 3.7994 3.7994 4.1875 4.1875 4.2048 4.2048 5.9540 5.9540 5.9830 5.9830 6.1980 6.1980 6.2284 6.2284 9.6323 9.6323 9.6334 9.6334 11.1264 11.1264 11.1283 11.1283 k = 0.1346 0.3849 0.5132 ( 4078 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0418 -10.0418 -10.0409 -10.0409 -8.9995 -8.9995 -8.9972 -8.9972 -8.8678 -8.8678 -8.8625 -8.8625 -6.8687 -6.8687 -6.8649 -6.8649 -3.2237 -3.2237 -3.2203 -3.2203 2.3913 2.3913 2.3984 2.3984 3.7910 3.7910 3.8030 3.8030 4.1438 4.1438 4.1622 4.1622 5.9507 5.9507 5.9809 5.9809 6.1906 6.1906 6.2220 6.2220 9.6840 9.6840 9.6849 9.6849 11.1181 11.1181 11.1200 11.1200 k = 0.1442 0.3764 0.5261 ( 4078 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0422 -10.0422 -10.0413 -10.0413 -9.0015 -9.0015 -8.9993 -8.9993 -8.8657 -8.8657 -8.8607 -8.8607 -6.8664 -6.8664 -6.8627 -6.8627 -3.2295 -3.2295 -3.2261 -3.2261 2.4301 2.4301 2.4373 2.4373 3.7918 3.7918 3.8048 3.8048 4.1006 4.1006 4.1200 4.1200 5.9491 5.9491 5.9804 5.9804 6.1824 6.1824 6.2147 6.2147 9.7341 9.7341 9.7348 9.7348 11.1114 11.1114 11.1132 11.1132 k = 0.1538 0.3679 0.5389 ( 4080 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0426 -10.0426 -10.0417 -10.0417 -9.0034 -9.0034 -9.0014 -9.0014 -8.8638 -8.8638 -8.8591 -8.8591 -6.8642 -6.8642 -6.8606 -6.8606 -3.2350 -3.2350 -3.2318 -3.2318 2.4699 2.4699 2.4771 2.4771 3.7898 3.7898 3.8035 3.8035 4.0593 4.0593 4.0794 4.0794 5.9494 5.9494 5.9817 5.9817 6.1734 6.1734 6.2064 6.2064 9.7817 9.7817 9.7823 9.7823 11.1065 11.1065 11.1083 11.1083 k = 0.1635 0.3594 0.5517 ( 4078 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0429 -10.0429 -10.0421 -10.0421 -9.0051 -9.0051 -9.0033 -9.0033 -8.8620 -8.8620 -8.8576 -8.8576 -6.8620 -6.8620 -6.8586 -6.8586 -3.2403 -3.2403 -3.2372 -3.2372 2.5103 2.5103 2.5175 2.5175 3.7839 3.7839 3.7980 3.7980 4.0217 4.0217 4.0420 4.0420 5.9515 5.9515 5.9846 5.9846 6.1636 6.1636 6.1973 6.1973 9.8261 9.8261 9.8265 9.8265 11.1037 11.1037 11.1054 11.1054 k = 0.1731 0.3509 0.5646 ( 4074 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0433 -10.0433 -10.0425 -10.0425 -9.0067 -9.0067 -9.0051 -9.0051 -8.8602 -8.8602 -8.8562 -8.8562 -6.8600 -6.8600 -6.8568 -6.8568 -3.2452 -3.2452 -3.2424 -3.2424 2.5508 2.5508 2.5579 2.5579 3.7731 3.7731 3.7866 3.7866 3.9902 3.9902 4.0097 4.0097 5.9554 5.9554 5.9892 5.9892 6.1531 6.1531 6.1873 6.1873 9.8663 9.8663 9.8667 9.8667 11.1031 11.1031 11.1046 11.1046 k = 0.1827 0.3424 0.5774 ( 4076 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0436 -10.0436 -10.0429 -10.0429 -9.0081 -9.0081 -9.0067 -9.0067 -8.8587 -8.8587 -8.8551 -8.8551 -6.8580 -6.8580 -6.8551 -6.8551 -3.2497 -3.2497 -3.2471 -3.2471 2.5907 2.5907 2.5975 2.5975 3.7565 3.7565 3.7681 3.7681 3.9664 3.9664 3.9838 3.9838 5.9611 5.9611 5.9953 5.9953 6.1420 6.1420 6.1765 6.1765 9.9019 9.9019 9.9022 9.9022 11.1046 11.1046 11.1059 11.1059 k = 0.1923 0.3339 0.5902 ( 4080 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0438 -10.0438 -10.0432 -10.0432 -9.0093 -9.0093 -9.0081 -9.0081 -8.8572 -8.8572 -8.8541 -8.8541 -6.8563 -6.8563 -6.8537 -6.8537 -3.2537 -3.2537 -3.2514 -3.2514 2.6293 2.6293 2.6356 2.6356 3.7345 3.7345 3.7435 3.7435 3.9505 3.9505 3.9649 3.9649 5.9683 5.9683 6.0027 6.0027 6.1303 6.1303 6.1650 6.1650 9.9324 9.9324 9.9327 9.9327 11.1081 11.1081 11.1092 11.1092 k = 0.2019 0.3254 0.6031 ( 4082 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0440 -10.0440 -10.0435 -10.0435 -9.0104 -9.0104 -9.0093 -9.0093 -8.8560 -8.8560 -8.8533 -8.8533 -6.8547 -6.8547 -6.8525 -6.8525 -3.2571 -3.2571 -3.2551 -3.2551 2.6655 2.6655 2.6712 2.6712 3.7091 3.7091 3.7154 3.7154 3.9409 3.9409 3.9520 3.9520 5.9768 5.9768 6.0111 6.0111 6.1185 6.1185 6.1529 6.1529 9.9577 9.9577 9.9581 9.9581 11.1130 11.1130 11.1139 11.1139 k = 0.2115 0.3169 0.6159 ( 4084 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0442 -10.0442 -10.0438 -10.0438 -9.0112 -9.0112 -9.0104 -9.0104 -8.8549 -8.8549 -8.8527 -8.8527 -6.8533 -6.8533 -6.8515 -6.8515 -3.2600 -3.2600 -3.2583 -3.2583 2.6982 2.6982 2.7032 2.7032 3.6829 3.6829 3.6869 3.6869 3.9356 3.9356 3.9438 3.9438 5.9866 5.9866 6.0200 6.0200 6.1068 6.1068 6.1403 6.1403 9.9779 9.9779 9.9782 9.9782 11.1188 11.1188 11.1194 11.1194 k = 0.2212 0.3084 0.6287 ( 4080 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0443 -10.0443 -10.0440 -10.0440 -9.0118 -9.0118 -9.0112 -9.0112 -8.8539 -8.8539 -8.8523 -8.8523 -6.8522 -6.8522 -6.8507 -6.8507 -3.2622 -3.2622 -3.2609 -3.2609 2.7260 2.7260 2.7300 2.7300 3.6589 3.6589 3.6613 3.6613 3.9329 3.9329 3.9386 3.9386 5.9972 5.9972 6.0285 6.0285 6.0963 6.0963 6.1276 6.1276 9.9931 9.9931 9.9935 9.9935 11.1245 11.1245 11.1249 11.1249 k = 0.2308 0.2999 0.6415 ( 4082 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0444 -10.0444 -10.0442 -10.0442 -9.0122 -9.0122 -9.0118 -9.0118 -8.8532 -8.8532 -8.8521 -8.8521 -6.8514 -6.8514 -6.8502 -6.8502 -3.2638 -3.2638 -3.2628 -3.2628 2.7475 2.7475 2.7504 2.7504 3.6397 3.6397 3.6409 3.6409 3.9317 3.9317 3.9353 3.9353 6.0084 6.0084 6.0345 6.0345 6.0888 6.0888 6.1150 6.1150 10.0037 10.0037 10.0040 10.0040 11.1293 11.1293 11.1296 11.1296 k = 0.2404 0.2914 0.6544 ( 4090 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0444 -10.0444 -10.0443 -10.0443 -9.0125 -9.0125 -9.0122 -9.0122 -8.8526 -8.8526 -8.8521 -8.8521 -6.8508 -6.8508 -6.8499 -6.8499 -3.2646 -3.2646 -3.2640 -3.2640 2.7614 2.7614 2.7629 2.7629 3.6272 3.6272 3.6278 3.6278 3.9316 3.9316 3.9334 3.9334 6.0194 6.0194 6.0350 6.0350 6.0875 6.0875 6.1031 6.1031 10.0099 10.0099 10.0102 10.0102 11.1325 11.1325 11.1327 11.1327 k = 0.2500 0.2829 0.6672 ( 4084 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0444 -10.0444 -10.0444 -10.0444 -9.0125 -9.0125 -9.0124 -9.0124 -8.8523 -8.8523 -8.8522 -8.8522 -6.8506 -6.8506 -6.8499 -6.8499 -3.2649 -3.2649 -3.2645 -3.2645 2.7665 2.7665 2.7669 2.7669 3.6228 3.6228 3.6233 3.6233 3.9319 3.9319 3.9324 3.9324 6.0289 6.0289 6.0292 6.0292 6.0930 6.0930 6.0934 6.0934 10.0119 10.0119 10.0122 10.0122 11.1337 11.1337 11.1337 11.1337 k = 0.2500 0.2829 0.6672 ( 4084 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0444 -10.0444 -10.0444 -10.0444 -9.0125 -9.0125 -9.0124 -9.0124 -8.8523 -8.8523 -8.8522 -8.8522 -6.8506 -6.8506 -6.8499 -6.8499 -3.2649 -3.2649 -3.2645 -3.2645 2.7665 2.7665 2.7669 2.7669 3.6228 3.6228 3.6233 3.6233 3.9319 3.9319 3.9324 3.9324 6.0289 6.0289 6.0292 6.0292 6.0930 6.0930 6.0934 6.0934 10.0119 10.0119 10.0122 10.0122 11.1337 11.1337 11.1337 11.1337 k = 0.2578 0.2918 0.6539 ( 4094 PWs) bands (ev): -27.1480 -27.1480 -27.1469 -27.1469 -10.0455 -10.0455 -10.0434 -10.0434 -9.0128 -9.0128 -9.0122 -9.0122 -8.8536 -8.8536 -8.8506 -8.8506 -6.8547 -6.8547 -6.8460 -6.8460 -3.2738 -3.2738 -3.2552 -3.2552 2.7613 2.7613 2.7673 2.7673 3.6197 3.6197 3.6313 3.6313 3.9057 3.9057 3.9592 3.9592 6.0024 6.0024 6.0483 6.0483 6.0764 6.0764 6.1173 6.1173 9.9910 9.9910 10.0299 10.0299 11.0800 11.0800 11.1874 11.1874 k = 0.2656 0.3006 0.6405 ( 4092 PWs) bands (ev): -27.1486 -27.1486 -27.1463 -27.1463 -10.0466 -10.0466 -10.0424 -10.0424 -9.0133 -9.0133 -9.0120 -9.0120 -8.8547 -8.8547 -8.8488 -8.8488 -6.8597 -6.8597 -6.8414 -6.8414 -3.2829 -3.2829 -3.2451 -3.2451 2.7521 2.7521 2.7629 2.7629 3.6164 3.6164 3.6476 3.6476 3.8809 3.8809 3.9867 3.9867 5.9757 5.9757 6.0413 6.0413 6.0825 6.0825 6.1448 6.1448 9.9707 9.9707 10.0400 10.0400 11.0298 11.0298 11.2379 11.2379 k = 0.2734 0.3095 0.6272 ( 4092 PWs) bands (ev): -27.1491 -27.1491 -27.1458 -27.1458 -10.0477 -10.0477 -10.0415 -10.0415 -9.0141 -9.0141 -9.0119 -9.0119 -8.8554 -8.8554 -8.8469 -8.8469 -6.8650 -6.8650 -6.8368 -6.8368 -3.2916 -3.2916 -3.2346 -3.2346 2.7360 2.7360 2.7580 2.7580 3.6128 3.6128 3.6684 3.6684 3.8600 3.8600 4.0147 4.0147 5.9496 5.9496 6.0247 6.0247 6.0962 6.0962 6.1738 6.1738 9.9517 9.9517 10.0420 10.0420 10.9832 10.9832 11.2850 11.2850 k = 0.2812 0.3183 0.6138 ( 4092 PWs) bands (ev): -27.1497 -27.1497 -27.1452 -27.1452 -10.0489 -10.0489 -10.0407 -10.0407 -9.0150 -9.0150 -9.0119 -9.0119 -8.8557 -8.8557 -8.8448 -8.8448 -6.8705 -6.8705 -6.8321 -6.8321 -3.2998 -3.2998 -3.2238 -3.2238 2.7135 2.7135 2.7538 2.7538 3.6089 3.6089 3.6864 3.6864 3.8481 3.8481 4.0431 4.0431 5.9245 5.9245 6.0088 6.0088 6.1081 6.1081 6.2028 6.2028 9.9340 9.9340 10.0358 10.0358 10.9405 10.9405 11.3282 11.3282 k = 0.2891 0.3272 0.6004 ( 4088 PWs) bands (ev): -27.1502 -27.1502 -27.1447 -27.1447 -10.0502 -10.0502 -10.0399 -10.0399 -9.0163 -9.0163 -9.0120 -9.0120 -8.8556 -8.8556 -8.8426 -8.8426 -6.8760 -6.8760 -6.8275 -6.8275 -3.3075 -3.3075 -3.2129 -3.2129 2.6865 2.6865 2.7502 2.7502 3.6045 3.6045 3.6914 3.6914 3.8540 3.8540 4.0719 4.0719 5.9008 5.9008 5.9945 5.9945 6.1180 6.1180 6.2310 6.2310 9.9180 9.9180 10.0216 10.0216 10.9017 10.9017 11.3667 11.3667 k = 0.2969 0.3360 0.5871 ( 4090 PWs) bands (ev): -27.1507 -27.1507 -27.1442 -27.1442 -10.0516 -10.0516 -10.0392 -10.0392 -9.0179 -9.0179 -9.0121 -9.0121 -8.8551 -8.8551 -8.8403 -8.8403 -6.8814 -6.8814 -6.8230 -6.8230 -3.3145 -3.3145 -3.2019 -3.2019 2.6566 2.6566 2.7471 2.7471 3.5995 3.5995 3.6789 3.6789 3.8802 3.8802 4.1010 4.1010 5.8788 5.8788 5.9817 5.9817 6.1260 6.1260 6.2580 6.2580 9.9038 9.9038 10.0000 10.0000 10.8670 10.8670 11.3992 11.3992 k = 0.3047 0.3448 0.5737 ( 4090 PWs) bands (ev): -27.1512 -27.1512 -27.1437 -27.1437 -10.0530 -10.0530 -10.0386 -10.0386 -9.0198 -9.0198 -9.0124 -9.0124 -8.8542 -8.8542 -8.8378 -8.8378 -6.8866 -6.8866 -6.8186 -6.8186 -3.3208 -3.3208 -3.1910 -3.1910 2.6249 2.6249 2.7447 2.7447 3.5936 3.5936 3.6545 3.6545 3.9201 3.9201 4.1305 4.1305 5.8591 5.8591 5.9700 5.9700 6.1326 6.1326 6.2837 6.2837 9.8917 9.8917 9.9719 9.9719 10.8365 10.8365 11.4244 11.4244 k = 0.3125 0.3537 0.5604 ( 4083 PWs) bands (ev): -27.1516 -27.1516 -27.1433 -27.1433 -10.0546 -10.0546 -10.0381 -10.0381 -9.0220 -9.0220 -9.0127 -9.0127 -8.8530 -8.8530 -8.8353 -8.8353 -6.8916 -6.8916 -6.8144 -6.8144 -3.3263 -3.3263 -3.1802 -3.1802 2.5926 2.5926 2.7428 2.7428 3.5862 3.5862 3.6241 3.6241 3.9669 3.9669 4.1603 4.1603 5.8418 5.8418 5.9586 5.9586 6.1383 6.1383 6.3079 6.3079 9.8817 9.8817 9.9380 9.9380 10.8104 10.8104 11.4416 11.4416 k = 0.3203 0.3625 0.5470 ( 4084 PWs) bands (ev): -27.1521 -27.1521 -27.1428 -27.1428 -10.0562 -10.0562 -10.0376 -10.0376 -9.0245 -9.0245 -9.0131 -9.0131 -8.8514 -8.8514 -8.8328 -8.8328 -6.8962 -6.8962 -6.8103 -6.8103 -3.3309 -3.3309 -3.1695 -3.1695 2.5602 2.5602 2.7416 2.7416 3.5732 3.5732 3.5946 3.5946 4.0170 4.0170 4.1904 4.1904 5.8272 5.8272 5.9466 5.9466 6.1439 6.1439 6.3308 6.3308 9.8741 9.8741 9.8996 9.8996 10.7888 10.7888 11.4506 11.4506 k = 0.3281 0.3714 0.5337 ( 4084 PWs) bands (ev): -27.1525 -27.1525 -27.1424 -27.1424 -10.0580 -10.0580 -10.0372 -10.0372 -9.0273 -9.0273 -9.0135 -9.0135 -8.8495 -8.8495 -8.8301 -8.8301 -6.9004 -6.9004 -6.8065 -6.8065 -3.3345 -3.3345 -3.1592 -3.1592 2.5285 2.5285 2.7412 2.7412 3.5429 3.5429 3.5788 3.5788 4.0683 4.0683 4.2208 4.2208 5.8156 5.8156 5.9330 5.9330 6.1505 6.1505 6.3522 6.3522 9.8576 9.8576 9.8690 9.8690 10.7717 10.7717 11.4520 11.4520 k = 0.3359 0.3802 0.5203 ( 4084 PWs) bands (ev): -27.1529 -27.1529 -27.1420 -27.1420 -10.0599 -10.0599 -10.0368 -10.0368 -9.0304 -9.0304 -9.0141 -9.0141 -8.8473 -8.8473 -8.8275 -8.8275 -6.9041 -6.9041 -6.8029 -6.8029 -3.3372 -3.3372 -3.1492 -3.1492 2.4978 2.4978 2.7415 2.7415 3.5038 3.5038 3.5689 3.5689 4.1194 4.1194 4.2514 4.2514 5.8070 5.8070 5.9166 5.9166 6.1591 6.1591 6.3723 6.3723 9.8132 9.8132 9.8663 9.8663 10.7592 10.7592 11.4468 11.4468 k = 0.3438 0.3890 0.5070 ( 4076 PWs) bands (ev): -27.1533 -27.1533 -27.1416 -27.1416 -10.0619 -10.0619 -10.0365 -10.0365 -9.0338 -9.0338 -9.0147 -9.0147 -8.8449 -8.8449 -8.8248 -8.8248 -6.9071 -6.9071 -6.7995 -6.7995 -3.3389 -3.3389 -3.1396 -3.1396 2.4686 2.4686 2.7427 2.7427 3.4619 3.4619 3.5594 3.5594 4.1693 4.1693 4.2822 4.2822 5.8014 5.8014 5.8966 5.8966 6.1707 6.1707 6.3911 6.3911 9.7672 9.7672 9.8662 9.8662 10.7514 10.7514 11.4362 11.4362 k = 0.3516 0.3979 0.4936 ( 4074 PWs) bands (ev): -27.1536 -27.1536 -27.1412 -27.1412 -10.0640 -10.0640 -10.0362 -10.0362 -9.0374 -9.0374 -9.0154 -9.0154 -8.8423 -8.8423 -8.8222 -8.8222 -6.9096 -6.9096 -6.7965 -6.7965 -3.3396 -3.3396 -3.1305 -3.1305 2.4410 2.4410 2.7446 2.7446 3.4183 3.4183 3.5496 3.5496 4.2171 4.2171 4.3132 4.3132 5.7984 5.7984 5.8729 5.8729 6.1859 6.1859 6.4088 6.4088 9.7206 9.7206 9.8686 9.8686 10.7484 10.7484 11.4211 11.4211 k = 0.3594 0.4067 0.4803 ( 4065 PWs) bands (ev): -27.1540 -27.1540 -27.1409 -27.1409 -10.0662 -10.0662 -10.0360 -10.0360 -9.0412 -9.0412 -9.0161 -9.0161 -8.8396 -8.8396 -8.8195 -8.8195 -6.9115 -6.9115 -6.7938 -6.7938 -3.3392 -3.3392 -3.1218 -3.1218 2.4154 2.4154 2.7474 2.7474 3.3735 3.3735 3.5394 3.5394 4.2623 4.2623 4.3443 4.3443 5.7964 5.7964 5.8468 5.8468 6.2050 6.2050 6.4252 6.4252 9.6743 9.6743 9.8736 9.8736 10.7501 10.7501 11.4024 11.4024 k = 0.3672 0.4156 0.4669 ( 4067 PWs) bands (ev): -27.1543 -27.1543 -27.1405 -27.1405 -10.0686 -10.0686 -10.0358 -10.0358 -9.0452 -9.0452 -9.0169 -9.0169 -8.8367 -8.8367 -8.8169 -8.8169 -6.9127 -6.9127 -6.7914 -6.7914 -3.3377 -3.3377 -3.1138 -3.1138 2.3918 2.3918 2.7510 2.7510 3.3277 3.3277 3.5287 3.5287 4.3044 4.3044 4.3754 4.3754 5.7869 5.7869 5.8269 5.8269 6.2280 6.2280 6.4406 6.4406 9.6292 9.6292 9.8809 9.8809 10.7566 10.7566 11.3809 11.3809 k = 0.3750 0.4244 0.4535 ( 4063 PWs) bands (ev): -27.1546 -27.1546 -27.1403 -27.1403 -10.0710 -10.0710 -10.0357 -10.0357 -9.0494 -9.0494 -9.0177 -9.0177 -8.8337 -8.8337 -8.8144 -8.8144 -6.9132 -6.9132 -6.7893 -6.7893 -3.3352 -3.3352 -3.1063 -3.1063 2.3705 2.3705 2.7553 2.7553 3.2814 3.2814 3.5178 3.5178 4.3429 4.3429 4.4061 4.4061 5.7575 5.7575 5.8256 5.8256 6.2547 6.2547 6.4550 6.4550 9.5858 9.5858 9.8907 9.8907 10.7679 10.7679 11.3572 11.3572 k = 0.3828 0.4333 0.4402 ( 4072 PWs) bands (ev): -27.1548 -27.1548 -27.1400 -27.1400 -10.0736 -10.0736 -10.0356 -10.0356 -9.0536 -9.0536 -9.0185 -9.0185 -8.8307 -8.8307 -8.8119 -8.8119 -6.9131 -6.9131 -6.7876 -6.7876 -3.3317 -3.3317 -3.0994 -3.0994 2.3514 2.3514 2.7605 2.7605 3.2347 3.2347 3.5067 3.5067 4.3778 4.3778 4.4360 4.4360 5.7170 5.7170 5.8345 5.8345 6.2847 6.2847 6.4687 6.4687 9.5449 9.5449 9.9027 9.9027 10.7839 10.7839 11.3317 11.3317 k = 0.3906 0.4421 0.4268 ( 4077 PWs) bands (ev): -27.1550 -27.1550 -27.1397 -27.1397 -10.0761 -10.0761 -10.0355 -10.0355 -9.0579 -9.0579 -9.0194 -9.0194 -8.8277 -8.8277 -8.8095 -8.8095 -6.9123 -6.9123 -6.7861 -6.7861 -3.3272 -3.3272 -3.0931 -3.0931 2.3348 2.3348 2.7663 2.7663 3.1879 3.1879 3.4955 3.4955 4.4091 4.4091 4.4647 4.4647 5.6711 5.6711 5.8480 5.8480 6.3172 6.3172 6.4821 6.4821 9.5071 9.5071 9.9169 9.9169 10.8047 10.8047 11.3048 11.3048 k = 0.3984 0.4509 0.4135 ( 4073 PWs) bands (ev): -27.1552 -27.1552 -27.1395 -27.1395 -10.0788 -10.0788 -10.0355 -10.0355 -9.0622 -9.0622 -9.0203 -9.0203 -8.8247 -8.8247 -8.8073 -8.8073 -6.9109 -6.9109 -6.7851 -6.7851 -3.3217 -3.3217 -3.0874 -3.0874 2.3206 2.3206 2.7728 2.7728 3.1413 3.1413 3.4845 3.4845 4.4368 4.4368 4.4918 4.4918 5.6214 5.6214 5.8649 5.8649 6.3514 6.3514 6.4959 6.4959 9.4730 9.4730 9.9331 9.9331 10.8301 10.8301 11.2771 11.2771 k = 0.4062 0.4598 0.4001 ( 4075 PWs) bands (ev): -27.1554 -27.1554 -27.1393 -27.1393 -10.0815 -10.0815 -10.0355 -10.0355 -9.0666 -9.0666 -9.0211 -9.0211 -8.8218 -8.8218 -8.8051 -8.8051 -6.9090 -6.9090 -6.7843 -6.7843 -3.3153 -3.3153 -3.0824 -3.0824 2.3088 2.3088 2.7798 2.7798 3.0953 3.0953 3.4737 3.4737 4.4604 4.4604 4.5172 4.5172 5.5685 5.5685 5.8846 5.8846 6.3855 6.3855 6.5115 6.5115 9.4429 9.4429 9.9512 9.9512 10.8601 10.8601 11.2487 11.2487 k = 0.4141 0.4686 0.3868 ( 4081 PWs) bands (ev): -27.1556 -27.1556 -27.1391 -27.1391 -10.0842 -10.0842 -10.0355 -10.0355 -9.0709 -9.0709 -9.0220 -9.0220 -8.8188 -8.8188 -8.8031 -8.8031 -6.9065 -6.9065 -6.7838 -6.7838 -3.3081 -3.3081 -3.0780 -3.0780 2.2996 2.2996 2.7873 2.7873 3.0500 3.0500 3.4633 3.4633 4.4794 4.4794 4.5413 4.5413 5.5131 5.5131 5.9066 5.9066 6.4169 6.4169 6.5311 6.5311 9.4174 9.4174 9.9710 9.9710 10.8946 10.8946 11.2201 11.2201 k = 0.4219 0.4775 0.3734 ( 4083 PWs) bands (ev): -27.1557 -27.1557 -27.1390 -27.1390 -10.0869 -10.0869 -10.0356 -10.0356 -9.0751 -9.0751 -9.0228 -9.0228 -8.8160 -8.8160 -8.8013 -8.8013 -6.9036 -6.9036 -6.7836 -6.7836 -3.3000 -3.3000 -3.0742 -3.0742 2.2928 2.2928 2.7950 2.7950 3.0059 3.0059 3.4535 3.4535 4.4932 4.4932 4.5643 4.5643 5.4555 5.4555 5.9306 5.9306 6.4424 6.4424 6.5578 6.5578 9.3969 9.3969 9.9924 9.9924 10.9334 10.9334 11.1915 11.1915 k = 0.4297 0.4863 0.3601 ( 4084 PWs) bands (ev): -27.1558 -27.1558 -27.1389 -27.1389 -10.0896 -10.0896 -10.0357 -10.0357 -9.0793 -9.0793 -9.0236 -9.0236 -8.8133 -8.8133 -8.7996 -8.7996 -6.9003 -6.9003 -6.7837 -6.7837 -3.2913 -3.2913 -3.0710 -3.0710 2.2886 2.2886 2.8026 2.8026 2.9634 2.9634 3.4444 3.4444 4.5014 4.5014 4.5866 4.5866 5.3963 5.3963 5.9562 5.9562 6.4604 6.4604 6.5930 6.5930 9.3815 9.3815 10.0151 10.0151 10.9764 10.9764 11.1631 11.1631 k = 0.4375 0.4952 0.3467 ( 4090 PWs) bands (ev): -27.1559 -27.1559 -27.1388 -27.1388 -10.0923 -10.0923 -10.0359 -10.0359 -9.0834 -9.0834 -9.0243 -9.0243 -8.8106 -8.8106 -8.7981 -8.7981 -6.8967 -6.8967 -6.7840 -6.7840 -3.2820 -3.2820 -3.0684 -3.0684 2.2868 2.2868 2.8093 2.8093 2.9236 2.9236 3.4362 3.4362 4.5039 4.5039 4.6080 4.6080 5.3359 5.3359 5.9831 5.9831 6.4720 6.4720 6.6351 6.6351 9.3715 9.3715 10.0391 10.0391 11.0234 11.0234 11.1352 11.1352 k = 0.4453 0.5040 0.3334 ( 4088 PWs) bands (ev): -27.1559 -27.1559 -27.1387 -27.1387 -10.0949 -10.0949 -10.0360 -10.0360 -9.0873 -9.0873 -9.0249 -9.0249 -8.8081 -8.8081 -8.7968 -8.7968 -6.8928 -6.8928 -6.7845 -6.7845 -3.2721 -3.2721 -3.0663 -3.0663 2.2875 2.2875 2.8129 2.8129 2.8888 2.8888 3.4290 3.4290 4.5007 4.5007 4.6285 4.6285 5.2745 5.2745 6.0109 6.0109 6.4792 6.4792 6.6821 6.6821 9.3670 9.3670 10.0641 10.0641 11.0736 11.0736 11.1080 11.1080 k = 0.4531 0.5128 0.3200 ( 4090 PWs) bands (ev): -27.1559 -27.1559 -27.1387 -27.1387 -10.0974 -10.0974 -10.0362 -10.0362 -9.0910 -9.0910 -9.0255 -9.0255 -8.8057 -8.8057 -8.7957 -8.7957 -6.8888 -6.8888 -6.7852 -6.7852 -3.2618 -3.2618 -3.0648 -3.0648 2.2906 2.2906 2.8060 2.8060 2.8664 2.8664 3.4230 3.4230 4.4921 4.4921 4.6477 4.6477 5.2126 5.2126 6.0394 6.0394 6.4834 6.4834 6.7320 6.7320 9.3683 9.3683 10.0899 10.0899 11.0791 11.0791 11.1292 11.1292 k = 0.4609 0.5217 0.3067 ( 4096 PWs) bands (ev): -27.1559 -27.1559 -27.1387 -27.1387 -10.0998 -10.0998 -10.0365 -10.0365 -9.0946 -9.0946 -9.0259 -9.0259 -8.8034 -8.8034 -8.7948 -8.7948 -6.8847 -6.8847 -6.7861 -6.7861 -3.2512 -3.2512 -3.0637 -3.0637 2.2960 2.2960 2.7831 2.7831 2.8621 2.8621 3.4183 3.4183 4.4781 4.4781 4.6656 4.6656 5.1505 5.1505 6.0681 6.0681 6.4856 6.4856 6.7840 6.7840 9.3752 9.3752 10.1164 10.1164 11.0514 11.0514 11.1863 11.1863 k = 0.4688 0.5305 0.2933 ( 4098 PWs) bands (ev): -27.1559 -27.1559 -27.1387 -27.1387 -10.1020 -10.1020 -10.0367 -10.0367 -9.0979 -9.0979 -9.0263 -9.0263 -8.8013 -8.8013 -8.7941 -8.7941 -6.8807 -6.8807 -6.7871 -6.7871 -3.2404 -3.2404 -3.0632 -3.0632 2.3038 2.3038 2.7531 2.7531 2.8670 2.8670 3.4149 3.4149 4.4591 4.4591 4.6820 4.6820 5.0886 5.0886 6.0968 6.0968 6.4863 6.4863 6.8371 6.8371 9.3878 9.3878 10.1433 10.1433 11.0221 11.0221 11.2466 11.2466 k = 0.4766 0.5394 0.2799 ( 4104 PWs) bands (ev): -27.1558 -27.1558 -27.1388 -27.1388 -10.1041 -10.1041 -10.0370 -10.0370 -9.1010 -9.1010 -9.0266 -9.0266 -8.7993 -8.7993 -8.7936 -8.7936 -6.8768 -6.8768 -6.7881 -6.7881 -3.2294 -3.2294 -3.0631 -3.0631 2.3137 2.3137 2.7225 2.7225 2.8749 2.8749 3.4131 3.4131 4.4353 4.4353 4.6967 4.6967 5.0272 5.0272 6.1253 6.1253 6.4857 6.4857 6.8909 6.8909 9.4059 9.4059 10.1704 10.1704 10.9897 10.9897 11.2856 11.2856 k = 0.4844 0.5482 0.2666 ( 4108 PWs) bands (ev): -27.1557 -27.1557 -27.1388 -27.1388 -10.1060 -10.1060 -10.0373 -10.0373 -9.1039 -9.1039 -9.0267 -9.0267 -8.7975 -8.7975 -8.7932 -8.7932 -6.8731 -6.8731 -6.7892 -6.7892 -3.2185 -3.2185 -3.0633 -3.0633 2.3258 2.3258 2.6931 2.6931 2.8838 2.8838 3.4128 3.4128 4.4071 4.4071 4.7096 4.7096 4.9666 4.9666 6.1533 6.1533 6.4841 6.4841 6.9448 6.9448 9.4295 9.4295 10.1975 10.1975 10.9522 10.9522 11.2214 11.2214 k = 0.4922 0.5570 0.2532 ( 4106 PWs) bands (ev): -27.1556 -27.1556 -27.1389 -27.1389 -10.1077 -10.1077 -10.0376 -10.0376 -9.1065 -9.1065 -9.0268 -9.0268 -8.7960 -8.7960 -8.7930 -8.7930 -6.8697 -6.8697 -6.7902 -6.7902 -3.2077 -3.2077 -3.0640 -3.0640 2.3399 2.3399 2.6659 2.6659 2.8932 2.8932 3.4142 3.4142 4.3746 4.3746 4.7205 4.7205 4.9071 4.9071 6.1805 6.1805 6.4817 6.4817 6.9985 6.9985 9.4582 9.4582 10.2243 10.2243 10.9078 10.9078 11.1688 11.1688 k = 0.5000 0.5659 0.2399 ( 4102 PWs) bands (ev): -27.1555 -27.1555 -27.1390 -27.1390 -10.1092 -10.1092 -10.0380 -10.0380 -9.1088 -9.1088 -9.0267 -9.0267 -8.7950 -8.7950 -8.7926 -8.7926 -6.8667 -6.8667 -6.7912 -6.7912 -3.1972 -3.1972 -3.0649 -3.0649 2.3558 2.3558 2.6411 2.6411 2.9027 2.9027 3.4172 3.4172 4.3383 4.3383 4.7293 4.7293 4.8491 4.8491 6.2067 6.2067 6.4786 6.4786 7.0515 7.0515 9.4920 9.4920 10.2507 10.2507 10.8564 10.8564 11.1284 11.1284 k = 0.5000 0.5659 0.2399 ( 4102 PWs) bands (ev): -27.1555 -27.1555 -27.1390 -27.1390 -10.1092 -10.1092 -10.0380 -10.0380 -9.1088 -9.1088 -9.0267 -9.0267 -8.7950 -8.7950 -8.7926 -8.7926 -6.8667 -6.8667 -6.7912 -6.7912 -3.1972 -3.1972 -3.0649 -3.0649 2.3558 2.3558 2.6411 2.6411 2.9027 2.9027 3.4172 3.4172 4.3383 4.3383 4.7293 4.7293 4.8491 4.8491 6.2067 6.2067 6.4786 6.4786 7.0515 7.0515 9.4920 9.4920 10.2507 10.2507 10.8564 10.8564 11.1284 11.1284 k = 0.5000 0.5659 0.2228 ( 4106 PWs) bands (ev): -27.1553 -27.1553 -27.1392 -27.1392 -10.1108 -10.1108 -10.0384 -10.0384 -9.1115 -9.1115 -9.0265 -9.0265 -8.7948 -8.7948 -8.7913 -8.7913 -6.8632 -6.8632 -6.7924 -6.7924 -3.1842 -3.1842 -3.0664 -3.0664 2.3794 2.3794 2.6118 2.6118 2.9148 2.9148 3.4231 3.4231 4.2865 4.2865 4.7385 4.7385 4.7773 4.7773 6.2386 6.2386 6.4744 6.4744 7.1181 7.1181 9.5419 9.5419 10.2833 10.2833 10.7886 10.7886 11.0839 11.0839 k = 0.5000 0.5659 0.2056 ( 4106 PWs) bands (ev): -27.1551 -27.1551 -27.1394 -27.1394 -10.1125 -10.1125 -10.0389 -10.0389 -9.1140 -9.1140 -9.0264 -9.0264 -8.7949 -8.7949 -8.7896 -8.7896 -6.8599 -6.8599 -6.7935 -6.7935 -3.1719 -3.1719 -3.0679 -3.0679 2.4068 2.4068 2.5844 2.5844 2.9268 2.9268 3.4309 3.4309 4.2296 4.2296 4.7046 4.7046 4.7503 4.7503 6.2683 6.2683 6.4702 6.4702 7.1829 7.1829 9.5977 9.5977 10.3142 10.3142 10.7249 10.7249 11.0395 11.0395 k = 0.5000 0.5659 0.1885 ( 4110 PWs) bands (ev): -27.1549 -27.1549 -27.1395 -27.1395 -10.1140 -10.1140 -10.0394 -10.0394 -9.1164 -9.1164 -9.0263 -9.0263 -8.7950 -8.7950 -8.7878 -8.7878 -6.8570 -6.8570 -6.7946 -6.7946 -3.1605 -3.1605 -3.0693 -3.0693 2.4377 2.4377 2.5588 2.5588 2.9388 2.9388 3.4405 3.4405 4.1683 4.1683 4.6372 4.6372 4.7588 4.7588 6.2957 6.2957 6.4662 6.4662 7.2452 7.2452 9.6586 9.6586 10.3432 10.3432 10.6655 10.6655 10.9951 10.9951 k = 0.5000 0.5659 0.1713 ( 4106 PWs) bands (ev): -27.1548 -27.1548 -27.1397 -27.1397 -10.1155 -10.1155 -10.0398 -10.0398 -9.1186 -9.1186 -9.0262 -9.0262 -8.7950 -8.7950 -8.7861 -8.7861 -6.8542 -6.8542 -6.7955 -6.7955 -3.1500 -3.1500 -3.0706 -3.0706 2.4716 2.4716 2.5352 2.5352 2.9509 2.9509 3.4518 3.4518 4.1036 4.1036 4.5719 4.5719 4.7673 4.7673 6.3209 6.3209 6.4624 6.4624 7.3047 7.3047 9.7236 9.7236 10.3702 10.3702 10.6107 10.6107 10.9505 10.9505 k = 0.5000 0.5659 0.1542 ( 4106 PWs) bands (ev): -27.1546 -27.1546 -27.1398 -27.1398 -10.1169 -10.1169 -10.0403 -10.0403 -9.1206 -9.1206 -9.0262 -9.0262 -8.7949 -8.7949 -8.7845 -8.7845 -6.8518 -6.8518 -6.7963 -6.7963 -3.1406 -3.1406 -3.0716 -3.0716 2.5074 2.5074 2.5141 2.5141 2.9631 2.9631 3.4646 3.4646 4.0365 4.0365 4.5097 4.5097 4.7753 4.7753 6.3437 6.3437 6.4588 6.4588 7.3606 7.3606 9.7915 9.7915 10.3952 10.3952 10.5605 10.5605 10.9056 10.9056 k = 0.5000 0.5659 0.1371 ( 4110 PWs) bands (ev): -27.1545 -27.1545 -27.1399 -27.1399 -10.1182 -10.1182 -10.0407 -10.0407 -9.1224 -9.1224 -9.0263 -9.0263 -8.7949 -8.7949 -8.7830 -8.7830 -6.8496 -6.8496 -6.7970 -6.7970 -3.1325 -3.1325 -3.0722 -3.0722 2.4940 2.4940 2.5461 2.5461 2.9757 2.9757 3.4787 3.4787 3.9681 3.9681 4.4510 4.4510 4.7826 4.7826 6.3641 6.3641 6.4555 6.4555 7.4126 7.4126 9.8614 9.8614 10.4180 10.4180 10.5152 10.5152 10.8600 10.8600 k = 0.5000 0.5659 0.1199 ( 4114 PWs) bands (ev): -27.1544 -27.1544 -27.1400 -27.1400 -10.1193 -10.1193 -10.0411 -10.0411 -9.1240 -9.1240 -9.0263 -9.0263 -8.7947 -8.7947 -8.7817 -8.7817 -6.8477 -6.8477 -6.7976 -6.7976 -3.1256 -3.1256 -3.0724 -3.0724 2.4767 2.4767 2.5849 2.5849 2.9889 2.9889 3.4937 3.4937 3.8994 3.8994 4.3963 4.3963 4.7893 4.7893 6.3821 6.3821 6.4526 6.4526 7.4601 7.4601 9.9324 9.9324 10.4384 10.4384 10.4749 10.4749 10.8137 10.8137 k = 0.5000 0.5659 0.1028 ( 4108 PWs) bands (ev): -27.1543 -27.1543 -27.1401 -27.1401 -10.1204 -10.1204 -10.0415 -10.0415 -9.1254 -9.1254 -9.0263 -9.0263 -8.7946 -8.7946 -8.7805 -8.7805 -6.8461 -6.8461 -6.7980 -6.7980 -3.1202 -3.1202 -3.0721 -3.0721 2.4616 2.4616 2.6232 2.6232 3.0030 3.0030 3.5092 3.5092 3.8317 3.8317 4.3462 4.3462 4.7951 4.7951 6.3977 6.3977 6.4500 6.4500 7.5025 7.5025 10.0036 10.0036 10.4393 10.4393 10.4567 10.4567 10.7664 10.7664 k = 0.5000 0.5659 0.0857 ( 4108 PWs) bands (ev): -27.1542 -27.1542 -27.1402 -27.1402 -10.1212 -10.1212 -10.0418 -10.0418 -9.1266 -9.1266 -9.0264 -9.0264 -8.7944 -8.7944 -8.7794 -8.7794 -6.8448 -6.8448 -6.7984 -6.7984 -3.1161 -3.1161 -3.0713 -3.0713 2.4488 2.4488 2.6596 2.6596 3.0183 3.0183 3.5246 3.5246 3.7666 3.7666 4.3013 4.3013 4.8002 4.8002 6.4109 6.4109 6.4478 6.4478 7.5394 7.5394 10.0739 10.0739 10.4094 10.4094 10.4719 10.4719 10.7183 10.7183 k = 0.5000 0.5659 0.0685 ( 4096 PWs) bands (ev): -27.1541 -27.1541 -27.1403 -27.1403 -10.1220 -10.1220 -10.0420 -10.0420 -9.1276 -9.1276 -9.0264 -9.0264 -8.7942 -8.7942 -8.7786 -8.7786 -6.8437 -6.8437 -6.7987 -6.7987 -3.1132 -3.1132 -3.0702 -3.0702 2.4382 2.4382 2.6923 2.6923 3.0347 3.0347 3.5391 3.5391 3.7061 3.7061 4.2625 4.2625 4.8043 4.8043 6.4215 6.4215 6.4462 6.4462 7.5703 7.5703 10.1425 10.1425 10.3847 10.3847 10.4843 10.4843 10.6695 10.6695 k = 0.5000 0.5659 0.0514 ( 4080 PWs) bands (ev): -27.1541 -27.1541 -27.1403 -27.1403 -10.1226 -10.1226 -10.0423 -10.0423 -9.1284 -9.1284 -9.0265 -9.0265 -8.7941 -8.7941 -8.7779 -8.7779 -6.8429 -6.8429 -6.7989 -6.7989 -3.1113 -3.1113 -3.0689 -3.0689 2.4299 2.4299 2.7197 2.7197 3.0518 3.0518 3.5519 3.5519 3.6526 3.6526 4.2307 4.2307 4.8076 4.8076 6.4294 6.4294 6.4452 6.4452 7.5948 7.5948 10.2080 10.2080 10.3654 10.3654 10.4935 10.4935 10.6208 10.6208 k = 0.5000 0.5659 0.0343 ( 4080 PWs) bands (ev): -27.1540 -27.1540 -27.1403 -27.1403 -10.1230 -10.1230 -10.0424 -10.0424 -9.1290 -9.1290 -9.0265 -9.0265 -8.7940 -8.7940 -8.7774 -8.7774 -6.8423 -6.8423 -6.7990 -6.7990 -3.1102 -3.1102 -3.0678 -3.0678 2.4240 2.4240 2.7403 2.7403 3.0676 3.0676 3.5620 3.5620 3.6097 3.6097 4.2070 4.2070 4.8100 4.8100 6.4345 6.4345 6.4450 6.4450 7.6125 7.6125 10.2683 10.2683 10.3515 10.3515 10.4981 10.4981 10.5749 10.5749 k = 0.5000 0.5659 0.0171 ( 4086 PWs) bands (ev): -27.1540 -27.1540 -27.1404 -27.1404 -10.1232 -10.1232 -10.0425 -10.0425 -9.1293 -9.1293 -9.0265 -9.0265 -8.7939 -8.7939 -8.7771 -8.7771 -6.8420 -6.8420 -6.7991 -6.7991 -3.1096 -3.1096 -3.0671 -3.0671 2.4205 2.4205 2.7530 2.7530 3.0793 3.0793 3.5685 3.5685 3.5813 3.5813 4.1923 4.1923 4.8114 4.8114 6.4369 6.4369 6.4456 6.4456 7.6233 7.6233 10.3177 10.3177 10.3432 10.3432 10.4941 10.4941 10.5412 10.5412 k = 0.5000 0.5659-0.0000 ( 4086 PWs) bands (ev): -27.1540 -27.1540 -27.1404 -27.1404 -10.1233 -10.1233 -10.0425 -10.0425 -9.1294 -9.1294 -9.0265 -9.0265 -8.7939 -8.7939 -8.7770 -8.7770 -6.8419 -6.8419 -6.7991 -6.7991 -3.1094 -3.1094 -3.0668 -3.0668 2.4193 2.4193 2.7572 2.7572 3.0837 3.0837 3.5703 3.5703 3.5718 3.5718 4.1874 4.1874 4.8119 4.8119 6.4375 6.4375 6.4460 6.4460 7.6269 7.6269 10.3397 10.3397 10.3404 10.3404 10.4861 10.4861 10.5312 10.5312 k = 0.0000 0.0000 0.6672 ( 4080 PWs) bands (ev): -27.1592 -27.1592 -27.1357 -27.1357 -10.0807 -10.0807 -10.0356 -10.0356 -9.0493 -9.0493 -9.0389 -9.0389 -8.8243 -8.8243 -8.7616 -8.7616 -6.9485 -6.9485 -6.7661 -6.7661 -3.4636 -3.4636 -3.0770 -3.0770 2.6853 2.6853 2.8714 2.8714 3.4151 3.4151 3.6069 3.6069 3.7717 3.7717 4.5408 4.5408 5.3257 5.3257 5.6988 5.6988 6.4962 6.4962 6.5706 6.5706 9.3199 9.3199 10.2722 10.2722 10.3452 10.3452 12.1214 12.1214 k = 0.0119 0.0135 0.6672 ( 4088 PWs) bands (ev): -27.1591 -27.1591 -27.1357 -27.1357 -10.0805 -10.0805 -10.0356 -10.0356 -9.0491 -9.0491 -9.0387 -9.0387 -8.8245 -8.8245 -8.7620 -8.7620 -6.9482 -6.9482 -6.7664 -6.7664 -3.4630 -3.4630 -3.0775 -3.0775 2.6855 2.6855 2.8711 2.8711 3.4165 3.4165 3.6069 3.6069 3.7709 3.7709 4.5389 4.5389 5.3281 5.3281 5.6998 5.6998 6.4949 6.4949 6.5694 6.5694 9.3225 9.3225 10.2739 10.2739 10.3444 10.3444 12.1245 12.1245 k = 0.0238 0.0269 0.6672 ( 4080 PWs) bands (ev): -27.1590 -27.1590 -27.1358 -27.1358 -10.0801 -10.0801 -10.0356 -10.0356 -9.0487 -9.0487 -9.0384 -9.0384 -8.8251 -8.8251 -8.7631 -8.7631 -6.9473 -6.9473 -6.7670 -6.7670 -3.4613 -3.4613 -3.0790 -3.0790 2.6860 2.6860 2.8702 2.8702 3.4206 3.4206 3.6067 3.6067 3.7686 3.7686 4.5332 4.5332 5.3353 5.3353 5.7028 5.7028 6.4911 6.4911 6.5657 6.5657 9.3301 9.3301 10.2791 10.2791 10.3418 10.3418 12.1333 12.1333 k = 0.0357 0.0404 0.6672 ( 4072 PWs) bands (ev): -27.1589 -27.1589 -27.1360 -27.1360 -10.0794 -10.0794 -10.0355 -10.0355 -9.0480 -9.0480 -9.0377 -9.0377 -8.8260 -8.8260 -8.7649 -8.7649 -6.9459 -6.9459 -6.7681 -6.7681 -3.4585 -3.4585 -3.0816 -3.0816 2.6868 2.6868 2.8686 2.8686 3.4275 3.4275 3.6065 3.6065 3.7648 3.7648 4.5236 4.5236 5.3473 5.3473 5.7078 5.7078 6.4848 6.4848 6.5596 6.5596 9.3428 9.3428 10.2877 10.2877 10.3375 10.3375 12.1472 12.1472 k = 0.0476 0.0539 0.6672 ( 4064 PWs) bands (ev): -27.1586 -27.1586 -27.1362 -27.1362 -10.0784 -10.0784 -10.0355 -10.0355 -9.0470 -9.0470 -9.0369 -9.0369 -8.8274 -8.8274 -8.7675 -8.7675 -6.9438 -6.9438 -6.7696 -6.7696 -3.4545 -3.4545 -3.0851 -3.0851 2.6880 2.6880 2.8665 2.8665 3.4371 3.4371 3.6062 3.6062 3.7597 3.7597 4.5104 4.5104 5.3638 5.3638 5.7147 5.7147 6.4759 6.4759 6.5512 6.5512 9.3603 9.3603 10.2999 10.2999 10.3317 10.3317 12.1471 12.1471 k = 0.0595 0.0674 0.6672 ( 4056 PWs) bands (ev): -27.1584 -27.1584 -27.1365 -27.1365 -10.0772 -10.0772 -10.0354 -10.0354 -9.0458 -9.0458 -9.0358 -9.0358 -8.8290 -8.8290 -8.7708 -8.7708 -6.9412 -6.9412 -6.7716 -6.7716 -3.4494 -3.4494 -3.0896 -3.0896 2.6895 2.6895 2.8638 2.8638 3.4494 3.4494 3.6059 3.6059 3.7534 3.7534 4.4937 4.4937 5.3847 5.3847 5.7236 5.7236 6.4647 6.4647 6.5403 6.5403 9.3825 9.3825 10.3150 10.3150 10.3248 10.3248 12.0801 12.0801 k = 0.0714 0.0808 0.6672 ( 4052 PWs) bands (ev): -27.1580 -27.1580 -27.1369 -27.1369 -10.0758 -10.0758 -10.0354 -10.0354 -9.0443 -9.0443 -9.0345 -9.0345 -8.8310 -8.8310 -8.7746 -8.7746 -6.9380 -6.9380 -6.7739 -6.7739 -3.4433 -3.4433 -3.0951 -3.0951 2.6914 2.6914 2.8605 2.8605 3.4642 3.4642 3.6055 3.6055 3.7460 3.7460 4.4736 4.4736 5.4096 5.4096 5.7344 5.7344 6.4511 6.4511 6.5271 6.5271 9.4091 9.4091 10.3145 10.3145 10.3358 10.3358 12.0080 12.0080 k = 0.0833 0.0943 0.6672 ( 4058 PWs) bands (ev): -27.1576 -27.1576 -27.1373 -27.1373 -10.0741 -10.0741 -10.0354 -10.0354 -9.0425 -9.0425 -9.0330 -9.0330 -8.8332 -8.8332 -8.7791 -8.7791 -6.9344 -6.9344 -6.7767 -6.7767 -3.4362 -3.4362 -3.1016 -3.1016 2.6937 2.6937 2.8566 2.8566 3.4815 3.4815 3.6053 3.6053 3.7378 3.7378 4.4503 4.4503 5.4382 5.4382 5.7471 5.7471 6.4352 6.4352 6.5115 6.5115 9.4398 9.4398 10.3042 10.3042 10.3588 10.3588 11.9374 11.9374 k = 0.0952 0.1078 0.6672 ( 4068 PWs) bands (ev): -27.1571 -27.1571 -27.1377 -27.1377 -10.0723 -10.0723 -10.0354 -10.0354 -9.0405 -9.0405 -9.0313 -9.0313 -8.8356 -8.8356 -8.7840 -8.7840 -6.9303 -6.9303 -6.7799 -6.7799 -3.4281 -3.4281 -3.1089 -3.1089 2.6964 2.6964 2.8523 2.8523 3.5012 3.5012 3.6051 3.6051 3.7289 3.7289 4.4241 4.4241 5.4704 5.4704 5.7616 5.7616 6.4171 6.4171 6.4936 6.4936 9.4741 9.4741 10.2923 10.2923 10.3858 10.3858 11.8702 11.8702 k = 0.1071 0.1213 0.6672 ( 4074 PWs) bands (ev): -27.1566 -27.1566 -27.1383 -27.1383 -10.0703 -10.0703 -10.0354 -10.0354 -9.0383 -9.0383 -9.0295 -9.0295 -8.8382 -8.8382 -8.7894 -8.7894 -6.9257 -6.9257 -6.7834 -6.7834 -3.4191 -3.4191 -3.1171 -3.1171 2.6995 2.6995 2.8475 2.8475 3.5231 3.5231 3.6052 3.6052 3.7196 3.7196 4.3952 4.3952 5.5055 5.5055 5.7779 5.7779 6.3971 6.3971 6.4733 6.4733 9.5117 9.5117 10.2790 10.2790 10.4168 10.4168 11.8077 11.8077 k = 0.1190 0.1347 0.6672 ( 4070 PWs) bands (ev): -27.1560 -27.1560 -27.1388 -27.1388 -10.0681 -10.0681 -10.0355 -10.0355 -9.0359 -9.0359 -9.0275 -9.0275 -8.8409 -8.8409 -8.7952 -8.7952 -6.9207 -6.9207 -6.7874 -6.7874 -3.4093 -3.4093 -3.1261 -3.1261 2.7030 2.7030 2.8422 2.8422 3.5468 3.5468 3.6057 3.6057 3.7100 3.7100 4.3638 4.3638 5.5435 5.5435 5.7959 5.7959 6.3750 6.3750 6.4508 6.4508 9.5520 9.5520 10.2645 10.2645 10.4519 10.4519 11.7507 11.7507 k = 0.1310 0.1482 0.6672 ( 4070 PWs) bands (ev): -27.1554 -27.1554 -27.1395 -27.1395 -10.0659 -10.0659 -10.0357 -10.0357 -9.0334 -9.0334 -9.0255 -9.0255 -8.8436 -8.8436 -8.8012 -8.8012 -6.9153 -6.9153 -6.7917 -6.7917 -3.3986 -3.3986 -3.1359 -3.1359 2.7070 2.7070 2.8365 2.8365 3.5715 3.5715 3.6076 3.6076 3.7003 3.7003 4.3302 4.3302 5.5837 5.5837 5.8155 5.8155 6.3513 6.3513 6.4261 6.4261 9.5945 9.5945 10.2486 10.2486 10.4913 10.4913 11.7003 11.7003 k = 0.1429 0.1617 0.6672 ( 4078 PWs) bands (ev): -27.1548 -27.1548 -27.1401 -27.1401 -10.0636 -10.0636 -10.0360 -10.0360 -9.0307 -9.0307 -9.0234 -9.0234 -8.8463 -8.8463 -8.8074 -8.8074 -6.9097 -6.9097 -6.7963 -6.7963 -3.3873 -3.3873 -3.1464 -3.1464 2.7113 2.7113 2.8305 2.8305 3.5921 3.5921 3.6157 3.6157 3.6907 3.6907 4.2947 4.2947 5.6260 5.6260 5.8368 5.8368 6.3259 6.3259 6.3991 6.3991 9.6386 9.6386 10.2316 10.2316 10.5351 10.5351 11.6569 11.6569 k = 0.1548 0.1752 0.6672 ( 4078 PWs) bands (ev): -27.1541 -27.1541 -27.1408 -27.1408 -10.0613 -10.0613 -10.0363 -10.0363 -9.0280 -9.0280 -9.0214 -9.0214 -8.8488 -8.8488 -8.8136 -8.8136 -6.9037 -6.9037 -6.8013 -6.8013 -3.3752 -3.3752 -3.1577 -3.1577 2.7161 2.7161 2.8241 2.8241 3.6000 3.6000 3.6387 3.6387 3.6815 3.6815 4.2575 4.2575 5.6698 5.6698 5.8596 5.8596 6.2989 6.2989 6.3701 6.3701 9.6836 9.6836 10.2133 10.2133 10.5834 10.5834 11.6214 11.6214 k = 0.1667 0.1886 0.6672 ( 4082 PWs) bands (ev): -27.1533 -27.1533 -27.1416 -27.1416 -10.0589 -10.0589 -10.0368 -10.0368 -9.0253 -9.0253 -9.0194 -9.0194 -8.8510 -8.8510 -8.8198 -8.8198 -6.8974 -6.8974 -6.8065 -6.8065 -3.3626 -3.3626 -3.1695 -3.1695 2.7213 2.7213 2.8174 2.8174 3.6026 3.6026 3.6661 3.6661 3.6755 3.6755 4.2190 4.2190 5.7149 5.7149 5.8838 5.8838 6.2707 6.2707 6.3390 6.3390 9.7290 9.7290 10.1938 10.1938 10.6364 10.6364 11.5940 11.5940 k = 0.1786 0.2021 0.6672 ( 4078 PWs) bands (ev): -27.1525 -27.1525 -27.1424 -27.1424 -10.0566 -10.0566 -10.0375 -10.0375 -9.0226 -9.0226 -9.0175 -9.0175 -8.8530 -8.8530 -8.8258 -8.8258 -6.8910 -6.8910 -6.8121 -6.8121 -3.3495 -3.3495 -3.1819 -3.1819 2.7269 2.7269 2.8105 2.8105 3.6045 3.6045 3.6627 3.6627 3.7035 3.7035 4.1793 4.1793 5.7608 5.7608 5.9094 5.9094 6.2411 6.2411 6.3061 6.3061 9.7741 9.7741 10.1729 10.1729 10.6942 10.6942 11.5755 11.5755 k = 0.1905 0.2156 0.6672 ( 4074 PWs) bands (ev): -27.1517 -27.1517 -27.1432 -27.1432 -10.0543 -10.0543 -10.0382 -10.0382 -9.0201 -9.0201 -9.0158 -9.0158 -8.8545 -8.8545 -8.8316 -8.8316 -6.8844 -6.8844 -6.8179 -6.8179 -3.3360 -3.3360 -3.1948 -3.1948 2.7328 2.7328 2.8034 2.8034 3.6065 3.6065 3.6547 3.6547 3.7383 3.7383 4.1389 4.1389 5.8071 5.8071 5.9363 5.9363 6.2104 6.2104 6.2716 6.2716 9.8184 9.8184 10.1507 10.1507 10.7566 10.7566 11.5654 11.5654 k = 0.2024 0.2291 0.6672 ( 4090 PWs) bands (ev): -27.1509 -27.1509 -27.1440 -27.1440 -10.0521 -10.0521 -10.0391 -10.0391 -9.0179 -9.0179 -9.0144 -9.0144 -8.8554 -8.8554 -8.8369 -8.8369 -6.8777 -6.8777 -6.8240 -6.8240 -3.3222 -3.3222 -3.2082 -3.2082 2.7391 2.7391 2.7962 2.7962 3.6088 3.6088 3.6471 3.6471 3.7748 3.7748 4.0978 4.0978 5.8535 5.8535 5.9644 5.9644 6.1783 6.1783 6.2358 6.2358 9.8612 9.8612 10.1268 10.1268 10.8237 10.8237 11.4877 11.4877 k = 0.2143 0.2425 0.6672 ( 4098 PWs) bands (ev): -27.1501 -27.1501 -27.1448 -27.1448 -10.0500 -10.0500 -10.0402 -10.0402 -9.0159 -9.0159 -9.0133 -9.0133 -8.8558 -8.8558 -8.8418 -8.8418 -6.8709 -6.8709 -6.8303 -6.8303 -3.3080 -3.3080 -3.2219 -3.2219 2.7456 2.7456 2.7888 2.7888 3.6116 3.6116 3.6401 3.6401 3.8127 3.8127 4.0563 4.0563 5.8995 5.8995 5.9936 5.9936 6.1450 6.1450 6.1993 6.1993 9.9022 9.9022 10.1012 10.1012 10.8953 10.8953 11.3969 11.3969 k = 0.2262 0.2560 0.6672 ( 4094 PWs) bands (ev): -27.1492 -27.1492 -27.1457 -27.1457 -10.0480 -10.0480 -10.0414 -10.0414 -9.0143 -9.0143 -9.0125 -9.0125 -8.8554 -8.8554 -8.8460 -8.8460 -6.8641 -6.8641 -6.8367 -6.8367 -3.2937 -3.2937 -3.2359 -3.2359 2.7524 2.7524 2.7815 2.7815 3.6149 3.6149 3.6337 3.6337 3.8516 3.8516 4.0147 4.0147 5.9447 5.9447 6.0237 6.0237 6.1103 6.1103 6.1627 6.1627 9.9411 9.9411 10.0737 10.0737 10.9712 10.9712 11.3073 11.3073 k = 0.2381 0.2695 0.6672 ( 4084 PWs) bands (ev): -27.1483 -27.1483 -27.1466 -27.1466 -10.0461 -10.0461 -10.0428 -10.0428 -9.0131 -9.0131 -9.0123 -9.0123 -8.8542 -8.8542 -8.8495 -8.8495 -6.8573 -6.8573 -6.8433 -6.8433 -3.2793 -3.2793 -3.2501 -3.2501 2.7594 2.7594 2.7741 2.7741 3.6188 3.6188 3.6280 3.6280 3.8915 3.8915 3.9733 3.9733 5.9883 5.9883 6.0506 6.0506 6.0779 6.0779 6.1269 6.1269 9.9777 9.9777 10.0441 10.0441 11.0508 11.0508 11.2194 11.2194 k = 0.2500 0.2829 0.6672 ( 4084 PWs) bands (ev): -27.1475 -27.1475 -27.1475 -27.1475 -10.0444 -10.0444 -10.0444 -10.0444 -9.0125 -9.0125 -9.0124 -9.0124 -8.8523 -8.8523 -8.8522 -8.8522 -6.8506 -6.8506 -6.8499 -6.8499 -3.2649 -3.2649 -3.2645 -3.2645 2.7665 2.7665 2.7669 2.7669 3.6228 3.6228 3.6233 3.6233 3.9319 3.9319 3.9324 3.9324 6.0289 6.0289 6.0292 6.0292 6.0930 6.0930 6.0934 6.0934 10.0119 10.0119 10.0122 10.0122 11.1337 11.1337 11.1337 11.1337 Writing output data file SrS2.save init_run : 0.27s CPU 0.40s WALL ( 1 calls) electrons : 172.60s CPU 174.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 172.60s CPU 174.93s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 297 calls) cegterg : 158.16s CPU 160.05s WALL ( 421 calls) Called by sum_band: Called by *egterg: h_psi : 93.49s CPU 94.78s WALL ( 6795 calls) s_psi : 6.90s CPU 6.99s WALL ( 6795 calls) g_psi : 0.16s CPU 0.21s WALL ( 6077 calls) cdiaghg : 53.86s CPU 54.34s WALL ( 6374 calls) cegterg:over : 5.37s CPU 5.51s WALL ( 6077 calls) cegterg:upda : 4.89s CPU 5.07s WALL ( 6077 calls) cegterg:last : 2.59s CPU 2.52s WALL ( 1052 calls) cdiaghg:chol : 3.11s CPU 3.11s WALL ( 6374 calls) cdiaghg:inve : 2.17s CPU 2.12s WALL ( 6374 calls) cdiaghg:para : 3.41s CPU 3.44s WALL ( 12748 calls) Called by h_psi: h_psi:vloc : 78.03s CPU 79.40s WALL ( 6795 calls) h_psi:vnl : 15.28s CPU 15.18s WALL ( 6795 calls) add_vuspsi : 8.15s CPU 8.39s WALL ( 6795 calls) General routines calbec : 7.12s CPU 6.76s WALL ( 6795 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.08s CPU 74.42s WALL ( 714792 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.18s WALL ( 594 calls) Parallel routines fft_scatter : 23.87s CPU 24.06s WALL ( 714815 calls) PWSCF : 3m 6.84s CPU 3m25.06s WALL This run was terminated on: 21:16: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=