Program PWSCF v.5.1.1 starts on 12Oct2015 at 5:31:41 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 883 382 60 Max 40 23 7 886 394 64 Sum 1901 1099 319 42441 18615 2959 bravais-lattice index = 14 lattice parameter (alat) = 8.5742 a.u. unit-cell volume = 428.0067 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.574163 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.536480 celldm(5)= -0.536480 celldm(6)= 0.072959 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.072959 0.997335 0.000000 ) a(3) = ( -0.536480 -0.498667 0.680823 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.073154 0.734405 ) b(2) = ( 0.000000 1.002672 0.734405 ) b(3) = ( 0.000000 0.000000 1.468810 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0000000 0.0144001), wk = 0.0026525 k( 3) = ( 0.0000000 0.0000000 0.0288002), wk = 0.0026525 k( 4) = ( 0.0000000 0.0000000 0.0432003), wk = 0.0026525 k( 5) = ( 0.0000000 0.0000000 0.0576004), wk = 0.0026525 k( 6) = ( 0.0000000 0.0000000 0.0720005), wk = 0.0026525 k( 7) = ( 0.0000000 0.0000000 0.0864006), wk = 0.0026525 k( 8) = ( 0.0000000 0.0000000 0.1008007), wk = 0.0026525 k( 9) = ( 0.0000000 0.0000000 0.1152008), wk = 0.0026525 k( 10) = ( 0.0000000 0.0000000 0.1296009), wk = 0.0026525 k( 11) = ( 0.0000000 0.0000000 0.1440010), wk = 0.0026525 k( 12) = ( 0.0000000 0.0000000 0.1584011), wk = 0.0026525 k( 13) = ( 0.0000000 0.0000000 0.1728012), wk = 0.0026525 k( 14) = ( 0.0000000 0.0000000 0.1872013), wk = 0.0026525 k( 15) = ( 0.0000000 0.0000000 0.2016014), wk = 0.0026525 k( 16) = ( 0.0000000 0.0000000 0.2160015), wk = 0.0026525 k( 17) = ( 0.0000000 0.0000000 0.2304016), wk = 0.0026525 k( 18) = ( 0.0000000 0.0000000 0.2448017), wk = 0.0026525 k( 19) = ( 0.0000000 0.0000000 0.2592018), wk = 0.0026525 k( 20) = ( 0.0000000 0.0000000 0.2736019), wk = 0.0026525 k( 21) = ( 0.0000000 0.0000000 0.2880020), wk = 0.0026525 k( 22) = ( 0.0000000 0.0000000 0.3024021), wk = 0.0026525 k( 23) = ( 0.0000000 0.0000000 0.3168021), wk = 0.0026525 k( 24) = ( 0.0000000 0.0000000 0.3312023), wk = 0.0026525 k( 25) = ( 0.0000000 0.0000000 0.3456024), wk = 0.0026525 k( 26) = ( 0.0000000 0.0000000 0.3600025), wk = 0.0026525 k( 27) = ( 0.0000000 0.0000000 0.3744025), wk = 0.0026525 k( 28) = ( 0.0000000 0.0000000 0.3888026), wk = 0.0026525 k( 29) = ( 0.0000000 0.0000000 0.4032027), wk = 0.0026525 k( 30) = ( 0.0000000 0.0000000 0.4176028), wk = 0.0026525 k( 31) = ( 0.0000000 0.0000000 0.4320029), wk = 0.0026525 k( 32) = ( 0.0000000 0.0000000 0.4464030), wk = 0.0026525 k( 33) = ( 0.0000000 0.0000000 0.4608031), wk = 0.0026525 k( 34) = ( 0.0000000 0.0000000 0.4752032), wk = 0.0026525 k( 35) = ( 0.0000000 0.0000000 0.4896033), wk = 0.0026525 k( 36) = ( 0.0000000 0.0000000 0.5040034), wk = 0.0026525 k( 37) = ( 0.0000000 0.0000000 0.5184035), wk = 0.0026525 k( 38) = ( 0.0000000 0.0000000 0.5328036), wk = 0.0026525 k( 39) = ( 0.0000000 0.0000000 0.5472037), wk = 0.0026525 k( 40) = ( 0.0000000 0.0000000 0.5616038), wk = 0.0026525 k( 41) = ( 0.0000000 0.0000000 0.5760039), wk = 0.0026525 k( 42) = ( 0.0000000 0.0000000 0.5904040), wk = 0.0026525 k( 43) = ( 0.0000000 0.0000000 0.6048041), wk = 0.0026525 k( 44) = ( 0.0000000 0.0000000 0.6192042), wk = 0.0026525 k( 45) = ( 0.0000000 0.0000000 0.6336043), wk = 0.0026525 k( 46) = ( 0.0000000 0.0000000 0.6480044), wk = 0.0026525 k( 47) = ( 0.0000000 0.0000000 0.6624045), wk = 0.0026525 k( 48) = ( 0.0000000 0.0000000 0.6768046), wk = 0.0026525 k( 49) = ( 0.0000000 0.0000000 0.6912047), wk = 0.0026525 k( 50) = ( 0.0000000 0.0000000 0.7056048), wk = 0.0026525 k( 51) = ( 0.0000000 0.0000000 0.7200049), wk = 0.0026525 k( 52) = ( 0.0000000 0.0000000 0.7344050), wk = 0.0026525 k( 53) = ( 0.0000000 0.0000000 0.7344050), wk = 0.0026525 k( 54) = ( -0.0098182 0.0105627 0.7344050), wk = 0.0026525 k( 55) = ( -0.0196364 0.0211254 0.7344050), wk = 0.0026525 k( 56) = ( -0.0294547 0.0316881 0.7344050), wk = 0.0026525 k( 57) = ( -0.0392729 0.0422508 0.7344050), wk = 0.0026525 k( 58) = ( -0.0490911 0.0528135 0.7344050), wk = 0.0026525 k( 59) = ( -0.0589093 0.0633762 0.7344050), wk = 0.0026525 k( 60) = ( -0.0687275 0.0739389 0.7344050), wk = 0.0026525 k( 61) = ( -0.0785458 0.0845016 0.7344050), wk = 0.0026525 k( 62) = ( -0.0883640 0.0950643 0.7344050), wk = 0.0026525 k( 63) = ( -0.0981822 0.1056270 0.7344050), wk = 0.0026525 k( 64) = ( -0.1080004 0.1161897 0.7344050), wk = 0.0026525 k( 65) = ( -0.1178186 0.1267524 0.7344050), wk = 0.0026525 k( 66) = ( -0.1276369 0.1373151 0.7344050), wk = 0.0026525 k( 67) = ( -0.1374551 0.1478778 0.7344050), wk = 0.0026525 k( 68) = ( -0.1472733 0.1584405 0.7344050), wk = 0.0026525 k( 69) = ( -0.1570915 0.1690032 0.7344050), wk = 0.0026525 k( 70) = ( -0.1669098 0.1795660 0.7344050), wk = 0.0026525 k( 71) = ( -0.1767280 0.1901287 0.7344050), wk = 0.0026525 k( 72) = ( -0.1865462 0.2006914 0.7344050), wk = 0.0026525 k( 73) = ( -0.1963644 0.2112541 0.7344050), wk = 0.0026525 k( 74) = ( -0.2061826 0.2218168 0.7344050), wk = 0.0026525 k( 75) = ( -0.2160009 0.2323795 0.7344050), wk = 0.0026525 k( 76) = ( -0.2160009 0.2323795 0.7344050), wk = 0.0026525 k( 77) = ( -0.2227627 0.2396541 0.7244731), wk = 0.0026525 k( 78) = ( -0.2295246 0.2469287 0.7145411), wk = 0.0026525 k( 79) = ( -0.2362865 0.2542033 0.7046092), wk = 0.0026525 k( 80) = ( -0.2430484 0.2614779 0.6946773), wk = 0.0026525 k( 81) = ( -0.2498103 0.2687525 0.6847454), wk = 0.0026525 k( 82) = ( -0.2565722 0.2760272 0.6748135), wk = 0.0026525 k( 83) = ( -0.2633340 0.2833018 0.6648815), wk = 0.0026525 k( 84) = ( -0.2700959 0.2905764 0.6549496), wk = 0.0026525 k( 85) = ( -0.2768578 0.2978510 0.6450177), wk = 0.0026525 k( 86) = ( -0.2836197 0.3051256 0.6350858), wk = 0.0026525 k( 87) = ( -0.2903816 0.3124002 0.6251538), wk = 0.0026525 k( 88) = ( -0.2971435 0.3196748 0.6152219), wk = 0.0026525 k( 89) = ( -0.3039054 0.3269495 0.6052900), wk = 0.0026525 k( 90) = ( -0.3106672 0.3342241 0.5953581), wk = 0.0026525 k( 91) = ( -0.3174291 0.3414987 0.5854262), wk = 0.0026525 k( 92) = ( -0.3241910 0.3487733 0.5754942), wk = 0.0026525 k( 93) = ( -0.3309529 0.3560479 0.5655623), wk = 0.0026525 k( 94) = ( -0.3377148 0.3633225 0.5556304), wk = 0.0026525 k( 95) = ( -0.3444767 0.3705971 0.5456985), wk = 0.0026525 k( 96) = ( -0.3512385 0.3778718 0.5357665), wk = 0.0026525 k( 97) = ( -0.3580004 0.3851464 0.5258346), wk = 0.0026525 k( 98) = ( -0.3580004 0.3851464 0.5258346), wk = 0.0026525 k( 99) = ( -0.3511158 0.3777397 0.5157224), wk = 0.0026525 k( 100) = ( -0.3442312 0.3703330 0.5056102), wk = 0.0026525 k( 101) = ( -0.3373466 0.3629264 0.4954980), wk = 0.0026525 k( 102) = ( -0.3304619 0.3555197 0.4853858), wk = 0.0026525 k( 103) = ( -0.3235773 0.3481131 0.4752736), wk = 0.0026525 k( 104) = ( -0.3166927 0.3407064 0.4651614), wk = 0.0026525 k( 105) = ( -0.3098081 0.3332997 0.4550492), wk = 0.0026525 k( 106) = ( -0.3029234 0.3258931 0.4449370), wk = 0.0026525 k( 107) = ( -0.2960388 0.3184864 0.4348248), wk = 0.0026525 k( 108) = ( -0.2891542 0.3110798 0.4247126), wk = 0.0026525 k( 109) = ( -0.2822696 0.3036731 0.4146004), wk = 0.0026525 k( 110) = ( -0.2753850 0.2962664 0.4044882), wk = 0.0026525 k( 111) = ( -0.2685003 0.2888598 0.3943760), wk = 0.0026525 k( 112) = ( -0.2616157 0.2814531 0.3842638), wk = 0.0026525 k( 113) = ( -0.2547311 0.2740465 0.3741516), wk = 0.0026525 k( 114) = ( -0.2478464 0.2666398 0.3640393), wk = 0.0026525 k( 115) = ( -0.2409618 0.2592331 0.3539271), wk = 0.0026525 k( 116) = ( -0.2340772 0.2518265 0.3438149), wk = 0.0026525 k( 117) = ( -0.2271926 0.2444198 0.3337027), wk = 0.0026525 k( 118) = ( -0.2203080 0.2370132 0.3235905), wk = 0.0026525 k( 119) = ( -0.2134233 0.2296065 0.3134783), wk = 0.0026525 k( 120) = ( -0.2065387 0.2221998 0.3033661), wk = 0.0026525 k( 121) = ( -0.1996541 0.2147932 0.2932539), wk = 0.0026525 k( 122) = ( -0.1927695 0.2073865 0.2831417), wk = 0.0026525 k( 123) = ( -0.1858848 0.1999798 0.2730295), wk = 0.0026525 k( 124) = ( -0.1790002 0.1925732 0.2629173), wk = 0.0026525 k( 125) = ( -0.1721156 0.1851665 0.2528051), wk = 0.0026525 k( 126) = ( -0.1652310 0.1777599 0.2426929), wk = 0.0026525 k( 127) = ( -0.1583463 0.1703532 0.2325807), wk = 0.0026525 k( 128) = ( -0.1514617 0.1629465 0.2224685), wk = 0.0026525 k( 129) = ( -0.1445771 0.1555399 0.2123563), wk = 0.0026525 k( 130) = ( -0.1376925 0.1481332 0.2022441), wk = 0.0026525 k( 131) = ( -0.1308079 0.1407266 0.1921319), wk = 0.0026525 k( 132) = ( -0.1239232 0.1333199 0.1820197), wk = 0.0026525 k( 133) = ( -0.1170386 0.1259132 0.1719075), wk = 0.0026525 k( 134) = ( -0.1101540 0.1185066 0.1617953), wk = 0.0026525 k( 135) = ( -0.1032693 0.1110999 0.1516831), wk = 0.0026525 k( 136) = ( -0.0963847 0.1036933 0.1415709), wk = 0.0026525 k( 137) = ( -0.0895001 0.0962866 0.1314587), wk = 0.0026525 k( 138) = ( -0.0826155 0.0888799 0.1213464), wk = 0.0026525 k( 139) = ( -0.0757309 0.0814733 0.1112342), wk = 0.0026525 k( 140) = ( -0.0688462 0.0740666 0.1011220), wk = 0.0026525 k( 141) = ( -0.0619616 0.0666599 0.0910098), wk = 0.0026525 k( 142) = ( -0.0550770 0.0592533 0.0808976), wk = 0.0026525 k( 143) = ( -0.0481924 0.0518466 0.0707854), wk = 0.0026525 k( 144) = ( -0.0413077 0.0444400 0.0606732), wk = 0.0026525 k( 145) = ( -0.0344231 0.0370333 0.0505610), wk = 0.0026525 k( 146) = ( -0.0275385 0.0296266 0.0404488), wk = 0.0026525 k( 147) = ( -0.0206539 0.0222200 0.0303366), wk = 0.0026525 k( 148) = ( -0.0137693 0.0148133 0.0202244), wk = 0.0026525 k( 149) = ( -0.0068846 0.0074067 0.0101122), wk = 0.0026525 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 152) = ( 0.0104167 0.0096825 -0.0000000), wk = 0.0026525 k( 153) = ( 0.0208333 0.0193650 -0.0000000), wk = 0.0026525 k( 154) = ( 0.0312500 0.0290474 -0.0000000), wk = 0.0026525 k( 155) = ( 0.0416667 0.0387299 -0.0000000), wk = 0.0026525 k( 156) = ( 0.0520833 0.0484124 -0.0000000), wk = 0.0026525 k( 157) = ( 0.0625000 0.0580949 -0.0000000), wk = 0.0026525 k( 158) = ( 0.0729167 0.0677773 -0.0000000), wk = 0.0026525 k( 159) = ( 0.0833333 0.0774598 -0.0000000), wk = 0.0026525 k( 160) = ( 0.0937500 0.0871423 -0.0000000), wk = 0.0026525 k( 161) = ( 0.1041667 0.0968248 -0.0000000), wk = 0.0026525 k( 162) = ( 0.1145833 0.1065073 -0.0000000), wk = 0.0026525 k( 163) = ( 0.1250000 0.1161897 -0.0000000), wk = 0.0026525 k( 164) = ( 0.1354167 0.1258722 -0.0000000), wk = 0.0026525 k( 165) = ( 0.1458333 0.1355547 -0.0000000), wk = 0.0026525 k( 166) = ( 0.1562500 0.1452372 -0.0000000), wk = 0.0026525 k( 167) = ( 0.1666667 0.1549196 -0.0000000), wk = 0.0026525 k( 168) = ( 0.1770833 0.1646021 -0.0000000), wk = 0.0026525 k( 169) = ( 0.1875000 0.1742846 -0.0000000), wk = 0.0026525 k( 170) = ( 0.1979167 0.1839671 -0.0000000), wk = 0.0026525 k( 171) = ( 0.2083333 0.1936495 -0.0000000), wk = 0.0026525 k( 172) = ( 0.2187500 0.2033320 -0.0000000), wk = 0.0026525 k( 173) = ( 0.2291667 0.2130145 -0.0000000), wk = 0.0026525 k( 174) = ( 0.2395833 0.2226970 -0.0000000), wk = 0.0026525 k( 175) = ( 0.2500000 0.2323795 -0.0000000), wk = 0.0026525 k( 176) = ( 0.2604167 0.2420619 -0.0000000), wk = 0.0026525 k( 177) = ( 0.2708333 0.2517444 -0.0000000), wk = 0.0026525 k( 178) = ( 0.2812500 0.2614269 -0.0000000), wk = 0.0026525 k( 179) = ( 0.2916667 0.2711094 -0.0000000), wk = 0.0026525 k( 180) = ( 0.3020833 0.2807918 -0.0000000), wk = 0.0026525 k( 181) = ( 0.3125000 0.2904743 -0.0000000), wk = 0.0026525 k( 182) = ( 0.3229167 0.3001568 -0.0000000), wk = 0.0026525 k( 183) = ( 0.3333333 0.3098393 -0.0000000), wk = 0.0026525 k( 184) = ( 0.3437500 0.3195218 -0.0000000), wk = 0.0026525 k( 185) = ( 0.3541667 0.3292042 -0.0000000), wk = 0.0026525 k( 186) = ( 0.3645833 0.3388867 -0.0000000), wk = 0.0026525 k( 187) = ( 0.3750000 0.3485692 -0.0000000), wk = 0.0026525 k( 188) = ( 0.3854167 0.3582517 -0.0000000), wk = 0.0026525 k( 189) = ( 0.3958333 0.3679341 -0.0000000), wk = 0.0026525 k( 190) = ( 0.4062500 0.3776166 -0.0000000), wk = 0.0026525 k( 191) = ( 0.4166667 0.3872991 -0.0000000), wk = 0.0026525 k( 192) = ( 0.4270833 0.3969816 -0.0000000), wk = 0.0026525 k( 193) = ( 0.4375000 0.4066641 -0.0000000), wk = 0.0026525 k( 194) = ( 0.4479167 0.4163465 -0.0000000), wk = 0.0026525 k( 195) = ( 0.4583333 0.4260290 -0.0000000), wk = 0.0026525 k( 196) = ( 0.4687500 0.4357115 -0.0000000), wk = 0.0026525 k( 197) = ( 0.4791667 0.4453940 -0.0000000), wk = 0.0026525 k( 198) = ( 0.4895833 0.4550764 -0.0000000), wk = 0.0026525 k( 199) = ( 0.5000000 0.4647589 -0.0000000), wk = 0.0026525 k( 200) = ( 0.5000000 0.4647589 -0.0000000), wk = 0.0026525 k( 201) = ( 0.4932381 0.4720335 0.0099319), wk = 0.0026525 k( 202) = ( 0.4864762 0.4793082 0.0198638), wk = 0.0026525 k( 203) = ( 0.4797144 0.4865828 0.0297958), wk = 0.0026525 k( 204) = ( 0.4729525 0.4938574 0.0397277), wk = 0.0026525 k( 205) = ( 0.4661906 0.5011320 0.0496596), wk = 0.0026525 k( 206) = ( 0.4594287 0.5084066 0.0595915), wk = 0.0026525 k( 207) = ( 0.4526668 0.5156812 0.0695235), wk = 0.0026525 k( 208) = ( 0.4459049 0.5229558 0.0794554), wk = 0.0026525 k( 209) = ( 0.4391430 0.5302305 0.0893873), wk = 0.0026525 k( 210) = ( 0.4323812 0.5375051 0.0993192), wk = 0.0026525 k( 211) = ( 0.4256193 0.5447797 0.1092512), wk = 0.0026525 k( 212) = ( 0.4188574 0.5520543 0.1191831), wk = 0.0026525 k( 213) = ( 0.4120955 0.5593289 0.1291150), wk = 0.0026525 k( 214) = ( 0.4053336 0.5666035 0.1390469), wk = 0.0026525 k( 215) = ( 0.3985717 0.5738781 0.1489788), wk = 0.0026525 k( 216) = ( 0.3918099 0.5811528 0.1589108), wk = 0.0026525 k( 217) = ( 0.3850480 0.5884274 0.1688427), wk = 0.0026525 k( 218) = ( 0.3782861 0.5957020 0.1787746), wk = 0.0026525 k( 219) = ( 0.3715242 0.6029766 0.1887065), wk = 0.0026525 k( 220) = ( 0.3647623 0.6102512 0.1986385), wk = 0.0026525 k( 221) = ( 0.3580004 0.6175258 0.2085704), wk = 0.0026525 k( 222) = ( 0.3580004 0.6175258 0.2085704), wk = 0.0026525 k( 223) = ( 0.3456556 0.6135193 0.2140405), wk = 0.0026525 k( 224) = ( 0.3333107 0.6095128 0.2195105), wk = 0.0026525 k( 225) = ( 0.3209659 0.6055062 0.2249806), wk = 0.0026525 k( 226) = ( 0.3086211 0.6014997 0.2304507), wk = 0.0026525 k( 227) = ( 0.2962762 0.5974931 0.2359208), wk = 0.0026525 k( 228) = ( 0.2839314 0.5934866 0.2413908), wk = 0.0026525 k( 229) = ( 0.2715865 0.5894800 0.2468609), wk = 0.0026525 k( 230) = ( 0.2592417 0.5854735 0.2523310), wk = 0.0026525 k( 231) = ( 0.2468969 0.5814670 0.2578010), wk = 0.0026525 k( 232) = ( 0.2345520 0.5774604 0.2632711), wk = 0.0026525 k( 233) = ( 0.2222072 0.5734539 0.2687412), wk = 0.0026525 k( 234) = ( 0.2098623 0.5694473 0.2742113), wk = 0.0026525 k( 235) = ( 0.1975175 0.5654408 0.2796813), wk = 0.0026525 k( 236) = ( 0.1851726 0.5614342 0.2851514), wk = 0.0026525 k( 237) = ( 0.1728278 0.5574277 0.2906215), wk = 0.0026525 k( 238) = ( 0.1604830 0.5534212 0.2960916), wk = 0.0026525 k( 239) = ( 0.1481381 0.5494146 0.3015616), wk = 0.0026525 k( 240) = ( 0.1357933 0.5454081 0.3070317), wk = 0.0026525 k( 241) = ( 0.1234484 0.5414015 0.3125018), wk = 0.0026525 k( 242) = ( 0.1111036 0.5373950 0.3179718), wk = 0.0026525 k( 243) = ( 0.0987587 0.5333884 0.3234419), wk = 0.0026525 k( 244) = ( 0.0864139 0.5293819 0.3289120), wk = 0.0026525 k( 245) = ( 0.0740690 0.5253754 0.3343821), wk = 0.0026525 k( 246) = ( 0.0617242 0.5213688 0.3398521), wk = 0.0026525 k( 247) = ( 0.0493794 0.5173623 0.3453222), wk = 0.0026525 k( 248) = ( 0.0370345 0.5133557 0.3507923), wk = 0.0026525 k( 249) = ( 0.0246897 0.5093492 0.3562624), wk = 0.0026525 k( 250) = ( 0.0123448 0.5053427 0.3617324), wk = 0.0026525 k( 251) = ( 0.0000000 0.5013361 0.3672025), wk = 0.0026525 k( 252) = ( 0.0000000 0.5013361 0.3672025), wk = 0.0026525 k( 253) = ( 0.0069444 0.4938651 0.3774026), wk = 0.0026525 k( 254) = ( 0.0138889 0.4863941 0.3876026), wk = 0.0026525 k( 255) = ( 0.0208333 0.4789231 0.3978027), wk = 0.0026525 k( 256) = ( 0.0277778 0.4714520 0.4080028), wk = 0.0026525 k( 257) = ( 0.0347222 0.4639810 0.4182028), wk = 0.0026525 k( 258) = ( 0.0416667 0.4565100 0.4284029), wk = 0.0026525 k( 259) = ( 0.0486111 0.4490390 0.4386030), wk = 0.0026525 k( 260) = ( 0.0555556 0.4415680 0.4488031), wk = 0.0026525 k( 261) = ( 0.0625000 0.4340969 0.4590031), wk = 0.0026525 k( 262) = ( 0.0694444 0.4266259 0.4692032), wk = 0.0026525 k( 263) = ( 0.0763889 0.4191549 0.4794033), wk = 0.0026525 k( 264) = ( 0.0833333 0.4116839 0.4896033), wk = 0.0026525 k( 265) = ( 0.0902778 0.4042129 0.4998034), wk = 0.0026525 k( 266) = ( 0.0972222 0.3967419 0.5100035), wk = 0.0026525 k( 267) = ( 0.1041667 0.3892708 0.5202035), wk = 0.0026525 k( 268) = ( 0.1111111 0.3817998 0.5304036), wk = 0.0026525 k( 269) = ( 0.1180556 0.3743288 0.5406037), wk = 0.0026525 k( 270) = ( 0.1250000 0.3668578 0.5508037), wk = 0.0026525 k( 271) = ( 0.1319444 0.3593868 0.5610038), wk = 0.0026525 k( 272) = ( 0.1388889 0.3519157 0.5712039), wk = 0.0026525 k( 273) = ( 0.1458333 0.3444447 0.5814040), wk = 0.0026525 k( 274) = ( 0.1527778 0.3369737 0.5916040), wk = 0.0026525 k( 275) = ( 0.1597222 0.3295027 0.6018041), wk = 0.0026525 k( 276) = ( 0.1666667 0.3220317 0.6120042), wk = 0.0026525 k( 277) = ( 0.1736111 0.3145607 0.6222042), wk = 0.0026525 k( 278) = ( 0.1805556 0.3070896 0.6324043), wk = 0.0026525 k( 279) = ( 0.1875000 0.2996186 0.6426044), wk = 0.0026525 k( 280) = ( 0.1944444 0.2921476 0.6528044), wk = 0.0026525 k( 281) = ( 0.2013889 0.2846766 0.6630045), wk = 0.0026525 k( 282) = ( 0.2083333 0.2772056 0.6732046), wk = 0.0026525 k( 283) = ( 0.2152778 0.2697346 0.6834047), wk = 0.0026525 k( 284) = ( 0.2222222 0.2622635 0.6936047), wk = 0.0026525 k( 285) = ( 0.2291667 0.2547925 0.7038048), wk = 0.0026525 k( 286) = ( 0.2361111 0.2473215 0.7140049), wk = 0.0026525 k( 287) = ( 0.2430556 0.2398505 0.7242049), wk = 0.0026525 k( 288) = ( 0.2500000 0.2323795 0.7344050), wk = 0.0026525 k( 289) = ( 0.2500000 0.2323795 0.7344050), wk = 0.0026525 k( 290) = ( 0.2575758 0.2394213 0.7247909), wk = 0.0026525 k( 291) = ( 0.2651515 0.2464631 0.7151769), wk = 0.0026525 k( 292) = ( 0.2727273 0.2535049 0.7055628), wk = 0.0026525 k( 293) = ( 0.2803030 0.2605467 0.6959487), wk = 0.0026525 k( 294) = ( 0.2878788 0.2675885 0.6863347), wk = 0.0026525 k( 295) = ( 0.2954545 0.2746303 0.6767206), wk = 0.0026525 k( 296) = ( 0.3030303 0.2816721 0.6671065), wk = 0.0026525 k( 297) = ( 0.3106061 0.2887139 0.6574925), wk = 0.0026525 k( 298) = ( 0.3181818 0.2957557 0.6478784), wk = 0.0026525 k( 299) = ( 0.3257576 0.3027975 0.6382643), wk = 0.0026525 k( 300) = ( 0.3333333 0.3098393 0.6286503), wk = 0.0026525 k( 301) = ( 0.3409091 0.3168811 0.6190362), wk = 0.0026525 k( 302) = ( 0.3484849 0.3239229 0.6094221), wk = 0.0026525 k( 303) = ( 0.3560606 0.3309647 0.5998081), wk = 0.0026525 k( 304) = ( 0.3636364 0.3380065 0.5901940), wk = 0.0026525 k( 305) = ( 0.3712121 0.3450483 0.5805799), wk = 0.0026525 k( 306) = ( 0.3787879 0.3520901 0.5709659), wk = 0.0026525 k( 307) = ( 0.3863636 0.3591319 0.5613518), wk = 0.0026525 k( 308) = ( 0.3939394 0.3661737 0.5517377), wk = 0.0026525 k( 309) = ( 0.4015151 0.3732155 0.5421237), wk = 0.0026525 k( 310) = ( 0.4090909 0.3802573 0.5325096), wk = 0.0026525 k( 311) = ( 0.4166667 0.3872991 0.5228955), wk = 0.0026525 k( 312) = ( 0.4242424 0.3943409 0.5132814), wk = 0.0026525 k( 313) = ( 0.4318182 0.4013827 0.5036674), wk = 0.0026525 k( 314) = ( 0.4393939 0.4084245 0.4940533), wk = 0.0026525 k( 315) = ( 0.4469697 0.4154663 0.4844393), wk = 0.0026525 k( 316) = ( 0.4545455 0.4225081 0.4748252), wk = 0.0026525 k( 317) = ( 0.4621212 0.4295499 0.4652111), wk = 0.0026525 k( 318) = ( 0.4696970 0.4365917 0.4555970), wk = 0.0026525 k( 319) = ( 0.4772727 0.4436335 0.4459830), wk = 0.0026525 k( 320) = ( 0.4848485 0.4506753 0.4363689), wk = 0.0026525 k( 321) = ( 0.4924242 0.4577171 0.4267548), wk = 0.0026525 k( 322) = ( 0.5000000 0.4647589 0.4171408), wk = 0.0026525 k( 323) = ( 0.5000000 0.4647589 0.4171408), wk = 0.0026525 k( 324) = ( 0.5000000 0.4647589 0.4027566), wk = 0.0026525 k( 325) = ( 0.5000000 0.4647589 0.3883724), wk = 0.0026525 k( 326) = ( 0.5000000 0.4647589 0.3739883), wk = 0.0026525 k( 327) = ( 0.5000000 0.4647589 0.3596041), wk = 0.0026525 k( 328) = ( 0.5000000 0.4647589 0.3452200), wk = 0.0026525 k( 329) = ( 0.5000000 0.4647589 0.3308358), wk = 0.0026525 k( 330) = ( 0.5000000 0.4647589 0.3164516), wk = 0.0026525 k( 331) = ( 0.5000000 0.4647589 0.3020675), wk = 0.0026525 k( 332) = ( 0.5000000 0.4647589 0.2876833), wk = 0.0026525 k( 333) = ( 0.5000000 0.4647589 0.2732991), wk = 0.0026525 k( 334) = ( 0.5000000 0.4647589 0.2589150), wk = 0.0026525 k( 335) = ( 0.5000000 0.4647589 0.2445308), wk = 0.0026525 k( 336) = ( 0.5000000 0.4647589 0.2301466), wk = 0.0026525 k( 337) = ( 0.5000000 0.4647589 0.2157625), wk = 0.0026525 k( 338) = ( 0.5000000 0.4647589 0.2013783), wk = 0.0026525 k( 339) = ( 0.5000000 0.4647589 0.1869941), wk = 0.0026525 k( 340) = ( 0.5000000 0.4647589 0.1726100), wk = 0.0026525 k( 341) = ( 0.5000000 0.4647589 0.1582258), wk = 0.0026525 k( 342) = ( 0.5000000 0.4647589 0.1438416), wk = 0.0026525 k( 343) = ( 0.5000000 0.4647589 0.1294575), wk = 0.0026525 k( 344) = ( 0.5000000 0.4647589 0.1150733), wk = 0.0026525 k( 345) = ( 0.5000000 0.4647589 0.1006892), wk = 0.0026525 k( 346) = ( 0.5000000 0.4647589 0.0863050), wk = 0.0026525 k( 347) = ( 0.5000000 0.4647589 0.0719208), wk = 0.0026525 k( 348) = ( 0.5000000 0.4647589 0.0575367), wk = 0.0026525 k( 349) = ( 0.5000000 0.4647589 0.0431525), wk = 0.0026525 k( 350) = ( 0.5000000 0.4647589 0.0287683), wk = 0.0026525 k( 351) = ( 0.5000000 0.4647589 0.0143842), wk = 0.0026525 k( 352) = ( 0.5000000 0.4647589 -0.0000000), wk = 0.0026525 k( 353) = ( 0.0000000 0.0000000 0.7344050), wk = 0.0026525 k( 354) = ( 0.0104167 0.0096825 0.7344050), wk = 0.0026525 k( 355) = ( 0.0208333 0.0193650 0.7344050), wk = 0.0026525 k( 356) = ( 0.0312500 0.0290474 0.7344050), wk = 0.0026525 k( 357) = ( 0.0416667 0.0387299 0.7344050), wk = 0.0026525 k( 358) = ( 0.0520833 0.0484124 0.7344050), wk = 0.0026525 k( 359) = ( 0.0625000 0.0580949 0.7344050), wk = 0.0026525 k( 360) = ( 0.0729167 0.0677773 0.7344050), wk = 0.0026525 k( 361) = ( 0.0833333 0.0774598 0.7344050), wk = 0.0026525 k( 362) = ( 0.0937500 0.0871423 0.7344050), wk = 0.0026525 k( 363) = ( 0.1041667 0.0968248 0.7344050), wk = 0.0026525 k( 364) = ( 0.1145833 0.1065073 0.7344050), wk = 0.0026525 k( 365) = ( 0.1250000 0.1161897 0.7344050), wk = 0.0026525 k( 366) = ( 0.1354167 0.1258722 0.7344050), wk = 0.0026525 k( 367) = ( 0.1458333 0.1355547 0.7344050), wk = 0.0026525 k( 368) = ( 0.1562500 0.1452372 0.7344050), wk = 0.0026525 k( 369) = ( 0.1666667 0.1549196 0.7344050), wk = 0.0026525 k( 370) = ( 0.1770833 0.1646021 0.7344050), wk = 0.0026525 k( 371) = ( 0.1875000 0.1742846 0.7344050), wk = 0.0026525 k( 372) = ( 0.1979167 0.1839671 0.7344050), wk = 0.0026525 k( 373) = ( 0.2083333 0.1936495 0.7344050), wk = 0.0026525 k( 374) = ( 0.2187500 0.2033320 0.7344050), wk = 0.0026525 k( 375) = ( 0.2291667 0.2130145 0.7344050), wk = 0.0026525 k( 376) = ( 0.2395833 0.2226970 0.7344050), wk = 0.0026525 k( 377) = ( 0.2500000 0.2323795 0.7344050), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026525 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026525 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026525 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026525 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026525 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026525 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0026525 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026525 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026525 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026525 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026525 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026525 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026525 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026525 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026525 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0026525 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026525 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026525 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026525 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026525 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026525 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026525 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026525 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026525 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026525 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026525 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026525 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026525 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026525 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026525 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026525 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026525 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026525 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026525 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0026525 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026525 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026525 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026525 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026525 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026525 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026525 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026525 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026525 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0026525 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026525 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026525 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026525 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026525 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026525 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026525 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 54) = ( -0.0098182 0.0098182 0.5000000), wk = 0.0026525 k( 55) = ( -0.0196364 0.0196364 0.5000000), wk = 0.0026525 k( 56) = ( -0.0294547 0.0294547 0.5000000), wk = 0.0026525 k( 57) = ( -0.0392729 0.0392729 0.5000000), wk = 0.0026525 k( 58) = ( -0.0490911 0.0490911 0.5000000), wk = 0.0026525 k( 59) = ( -0.0589093 0.0589093 0.5000000), wk = 0.0026525 k( 60) = ( -0.0687275 0.0687275 0.5000000), wk = 0.0026525 k( 61) = ( -0.0785458 0.0785458 0.5000000), wk = 0.0026525 k( 62) = ( -0.0883640 0.0883640 0.5000000), wk = 0.0026525 k( 63) = ( -0.0981822 0.0981822 0.5000000), wk = 0.0026525 k( 64) = ( -0.1080004 0.1080004 0.5000000), wk = 0.0026525 k( 65) = ( -0.1178186 0.1178187 0.5000000), wk = 0.0026525 k( 66) = ( -0.1276369 0.1276369 0.5000000), wk = 0.0026525 k( 67) = ( -0.1374551 0.1374551 0.5000000), wk = 0.0026525 k( 68) = ( -0.1472733 0.1472733 0.5000000), wk = 0.0026525 k( 69) = ( -0.1570915 0.1570915 0.5000000), wk = 0.0026525 k( 70) = ( -0.1669098 0.1669098 0.5000000), wk = 0.0026525 k( 71) = ( -0.1767280 0.1767280 0.5000000), wk = 0.0026525 k( 72) = ( -0.1865462 0.1865462 0.5000000), wk = 0.0026525 k( 73) = ( -0.1963644 0.1963644 0.5000000), wk = 0.0026525 k( 74) = ( -0.2061826 0.2061826 0.5000000), wk = 0.0026525 k( 75) = ( -0.2160009 0.2160009 0.5000000), wk = 0.0026525 k( 76) = ( -0.2160009 0.2160009 0.5000000), wk = 0.0026525 k( 77) = ( -0.2227627 0.2227627 0.4932381), wk = 0.0026525 k( 78) = ( -0.2295246 0.2295246 0.4864762), wk = 0.0026525 k( 79) = ( -0.2362865 0.2362865 0.4797144), wk = 0.0026525 k( 80) = ( -0.2430484 0.2430484 0.4729525), wk = 0.0026525 k( 81) = ( -0.2498103 0.2498103 0.4661906), wk = 0.0026525 k( 82) = ( -0.2565722 0.2565722 0.4594287), wk = 0.0026525 k( 83) = ( -0.2633340 0.2633340 0.4526668), wk = 0.0026525 k( 84) = ( -0.2700959 0.2700959 0.4459049), wk = 0.0026525 k( 85) = ( -0.2768578 0.2768578 0.4391430), wk = 0.0026525 k( 86) = ( -0.2836197 0.2836197 0.4323812), wk = 0.0026525 k( 87) = ( -0.2903816 0.2903816 0.4256193), wk = 0.0026525 k( 88) = ( -0.2971435 0.2971435 0.4188574), wk = 0.0026525 k( 89) = ( -0.3039054 0.3039054 0.4120955), wk = 0.0026525 k( 90) = ( -0.3106672 0.3106672 0.4053336), wk = 0.0026525 k( 91) = ( -0.3174291 0.3174291 0.3985717), wk = 0.0026525 k( 92) = ( -0.3241910 0.3241910 0.3918099), wk = 0.0026525 k( 93) = ( -0.3309529 0.3309529 0.3850480), wk = 0.0026525 k( 94) = ( -0.3377148 0.3377148 0.3782861), wk = 0.0026525 k( 95) = ( -0.3444767 0.3444767 0.3715242), wk = 0.0026525 k( 96) = ( -0.3512385 0.3512385 0.3647623), wk = 0.0026525 k( 97) = ( -0.3580004 0.3580004 0.3580004), wk = 0.0026525 k( 98) = ( -0.3580004 0.3580004 0.3580004), wk = 0.0026525 k( 99) = ( -0.3511158 0.3511158 0.3511158), wk = 0.0026525 k( 100) = ( -0.3442312 0.3442312 0.3442312), wk = 0.0026525 k( 101) = ( -0.3373466 0.3373466 0.3373466), wk = 0.0026525 k( 102) = ( -0.3304619 0.3304619 0.3304619), wk = 0.0026525 k( 103) = ( -0.3235773 0.3235773 0.3235773), wk = 0.0026525 k( 104) = ( -0.3166927 0.3166927 0.3166927), wk = 0.0026525 k( 105) = ( -0.3098081 0.3098081 0.3098081), wk = 0.0026525 k( 106) = ( -0.3029234 0.3029234 0.3029234), wk = 0.0026525 k( 107) = ( -0.2960388 0.2960388 0.2960388), wk = 0.0026525 k( 108) = ( -0.2891542 0.2891542 0.2891542), wk = 0.0026525 k( 109) = ( -0.2822696 0.2822696 0.2822696), wk = 0.0026525 k( 110) = ( -0.2753850 0.2753850 0.2753850), wk = 0.0026525 k( 111) = ( -0.2685003 0.2685003 0.2685003), wk = 0.0026525 k( 112) = ( -0.2616157 0.2616157 0.2616157), wk = 0.0026525 k( 113) = ( -0.2547311 0.2547311 0.2547311), wk = 0.0026525 k( 114) = ( -0.2478464 0.2478464 0.2478465), wk = 0.0026525 k( 115) = ( -0.2409618 0.2409618 0.2409618), wk = 0.0026525 k( 116) = ( -0.2340772 0.2340772 0.2340772), wk = 0.0026525 k( 117) = ( -0.2271926 0.2271926 0.2271926), wk = 0.0026525 k( 118) = ( -0.2203080 0.2203080 0.2203080), wk = 0.0026525 k( 119) = ( -0.2134233 0.2134233 0.2134233), wk = 0.0026525 k( 120) = ( -0.2065387 0.2065387 0.2065387), wk = 0.0026525 k( 121) = ( -0.1996541 0.1996541 0.1996541), wk = 0.0026525 k( 122) = ( -0.1927695 0.1927695 0.1927695), wk = 0.0026525 k( 123) = ( -0.1858848 0.1858848 0.1858848), wk = 0.0026525 k( 124) = ( -0.1790002 0.1790002 0.1790002), wk = 0.0026525 k( 125) = ( -0.1721156 0.1721156 0.1721156), wk = 0.0026525 k( 126) = ( -0.1652310 0.1652310 0.1652310), wk = 0.0026525 k( 127) = ( -0.1583463 0.1583463 0.1583463), wk = 0.0026525 k( 128) = ( -0.1514617 0.1514617 0.1514617), wk = 0.0026525 k( 129) = ( -0.1445771 0.1445771 0.1445771), wk = 0.0026525 k( 130) = ( -0.1376925 0.1376925 0.1376925), wk = 0.0026525 k( 131) = ( -0.1308079 0.1308079 0.1308079), wk = 0.0026525 k( 132) = ( -0.1239232 0.1239232 0.1239232), wk = 0.0026525 k( 133) = ( -0.1170386 0.1170386 0.1170386), wk = 0.0026525 k( 134) = ( -0.1101540 0.1101540 0.1101540), wk = 0.0026525 k( 135) = ( -0.1032693 0.1032693 0.1032694), wk = 0.0026525 k( 136) = ( -0.0963847 0.0963847 0.0963847), wk = 0.0026525 k( 137) = ( -0.0895001 0.0895001 0.0895001), wk = 0.0026525 k( 138) = ( -0.0826155 0.0826155 0.0826155), wk = 0.0026525 k( 139) = ( -0.0757309 0.0757309 0.0757309), wk = 0.0026525 k( 140) = ( -0.0688462 0.0688462 0.0688462), wk = 0.0026525 k( 141) = ( -0.0619616 0.0619616 0.0619616), wk = 0.0026525 k( 142) = ( -0.0550770 0.0550770 0.0550770), wk = 0.0026525 k( 143) = ( -0.0481924 0.0481924 0.0481924), wk = 0.0026525 k( 144) = ( -0.0413077 0.0413077 0.0413077), wk = 0.0026525 k( 145) = ( -0.0344231 0.0344231 0.0344231), wk = 0.0026525 k( 146) = ( -0.0275385 0.0275385 0.0275385), wk = 0.0026525 k( 147) = ( -0.0206539 0.0206539 0.0206539), wk = 0.0026525 k( 148) = ( -0.0137693 0.0137692 0.0137693), wk = 0.0026525 k( 149) = ( -0.0068846 0.0068846 0.0068846), wk = 0.0026525 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 152) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026525 k( 153) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026525 k( 154) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026525 k( 155) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026525 k( 156) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026525 k( 157) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026525 k( 158) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026525 k( 159) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026525 k( 160) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026525 k( 161) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026525 k( 162) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026525 k( 163) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026525 k( 164) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026525 k( 165) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026525 k( 166) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026525 k( 167) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026525 k( 168) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026525 k( 169) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026525 k( 170) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026525 k( 171) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026525 k( 172) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026525 k( 173) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026525 k( 174) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026525 k( 175) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026525 k( 176) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026525 k( 177) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026525 k( 178) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026525 k( 179) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026525 k( 180) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026525 k( 181) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026525 k( 182) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026525 k( 183) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026525 k( 184) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026525 k( 185) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026525 k( 186) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026525 k( 187) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026525 k( 188) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026525 k( 189) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026525 k( 190) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026525 k( 191) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026525 k( 192) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026525 k( 193) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026525 k( 194) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026525 k( 195) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026525 k( 196) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026525 k( 197) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026525 k( 198) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026525 k( 199) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026525 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026525 k( 201) = ( 0.4932381 0.5067619 -0.4932381), wk = 0.0026525 k( 202) = ( 0.4864762 0.5135238 -0.4864762), wk = 0.0026525 k( 203) = ( 0.4797144 0.5202856 -0.4797144), wk = 0.0026525 k( 204) = ( 0.4729525 0.5270475 -0.4729525), wk = 0.0026525 k( 205) = ( 0.4661906 0.5338094 -0.4661906), wk = 0.0026525 k( 206) = ( 0.4594287 0.5405713 -0.4594287), wk = 0.0026525 k( 207) = ( 0.4526668 0.5473332 -0.4526668), wk = 0.0026525 k( 208) = ( 0.4459049 0.5540951 -0.4459049), wk = 0.0026525 k( 209) = ( 0.4391430 0.5608570 -0.4391430), wk = 0.0026525 k( 210) = ( 0.4323812 0.5676188 -0.4323812), wk = 0.0026525 k( 211) = ( 0.4256193 0.5743807 -0.4256193), wk = 0.0026525 k( 212) = ( 0.4188574 0.5811426 -0.4188574), wk = 0.0026525 k( 213) = ( 0.4120955 0.5879045 -0.4120955), wk = 0.0026525 k( 214) = ( 0.4053336 0.5946664 -0.4053336), wk = 0.0026525 k( 215) = ( 0.3985717 0.6014283 -0.3985717), wk = 0.0026525 k( 216) = ( 0.3918099 0.6081901 -0.3918099), wk = 0.0026525 k( 217) = ( 0.3850480 0.6149520 -0.3850480), wk = 0.0026525 k( 218) = ( 0.3782861 0.6217139 -0.3782861), wk = 0.0026525 k( 219) = ( 0.3715242 0.6284758 -0.3715242), wk = 0.0026525 k( 220) = ( 0.3647623 0.6352377 -0.3647623), wk = 0.0026525 k( 221) = ( 0.3580004 0.6419996 -0.3580004), wk = 0.0026525 k( 222) = ( 0.3580004 0.6419996 -0.3580004), wk = 0.0026525 k( 223) = ( 0.3456556 0.6371030 -0.3456556), wk = 0.0026525 k( 224) = ( 0.3333107 0.6322065 -0.3333107), wk = 0.0026525 k( 225) = ( 0.3209659 0.6273100 -0.3209659), wk = 0.0026525 k( 226) = ( 0.3086211 0.6224134 -0.3086211), wk = 0.0026525 k( 227) = ( 0.2962762 0.6175169 -0.2962762), wk = 0.0026525 k( 228) = ( 0.2839314 0.6126204 -0.2839314), wk = 0.0026525 k( 229) = ( 0.2715865 0.6077238 -0.2715865), wk = 0.0026525 k( 230) = ( 0.2592417 0.6028273 -0.2592417), wk = 0.0026525 k( 231) = ( 0.2468969 0.5979307 -0.2468968), wk = 0.0026525 k( 232) = ( 0.2345520 0.5930342 -0.2345520), wk = 0.0026525 k( 233) = ( 0.2222072 0.5881377 -0.2222072), wk = 0.0026525 k( 234) = ( 0.2098623 0.5832411 -0.2098623), wk = 0.0026525 k( 235) = ( 0.1975175 0.5783446 -0.1975175), wk = 0.0026525 k( 236) = ( 0.1851726 0.5734480 -0.1851726), wk = 0.0026525 k( 237) = ( 0.1728278 0.5685515 -0.1728278), wk = 0.0026525 k( 238) = ( 0.1604830 0.5636550 -0.1604829), wk = 0.0026525 k( 239) = ( 0.1481381 0.5587584 -0.1481381), wk = 0.0026525 k( 240) = ( 0.1357933 0.5538619 -0.1357933), wk = 0.0026525 k( 241) = ( 0.1234484 0.5489654 -0.1234484), wk = 0.0026525 k( 242) = ( 0.1111036 0.5440688 -0.1111036), wk = 0.0026525 k( 243) = ( 0.0987587 0.5391723 -0.0987587), wk = 0.0026525 k( 244) = ( 0.0864139 0.5342758 -0.0864139), wk = 0.0026525 k( 245) = ( 0.0740690 0.5293792 -0.0740690), wk = 0.0026525 k( 246) = ( 0.0617242 0.5244827 -0.0617242), wk = 0.0026525 k( 247) = ( 0.0493794 0.5195861 -0.0493794), wk = 0.0026525 k( 248) = ( 0.0370345 0.5146896 -0.0370345), wk = 0.0026525 k( 249) = ( 0.0246897 0.5097931 -0.0246897), wk = 0.0026525 k( 250) = ( 0.0123448 0.5048965 -0.0123448), wk = 0.0026525 k( 251) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026525 k( 253) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0026525 k( 254) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0026525 k( 255) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0026525 k( 256) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0026525 k( 257) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0026525 k( 258) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0026525 k( 259) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0026525 k( 260) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0026525 k( 261) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026525 k( 262) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0026525 k( 263) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0026525 k( 264) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026525 k( 265) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0026525 k( 266) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0026525 k( 267) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0026525 k( 268) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0026525 k( 269) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0026525 k( 270) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026525 k( 271) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0026525 k( 272) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0026525 k( 273) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0026525 k( 274) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0026525 k( 275) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0026525 k( 276) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026525 k( 277) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0026525 k( 278) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0026525 k( 279) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026525 k( 280) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0026525 k( 281) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0026525 k( 282) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0026525 k( 283) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0026525 k( 284) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0026525 k( 285) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0026525 k( 286) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0026525 k( 287) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0026525 k( 288) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 k( 290) = ( 0.2575758 0.2575758 0.2358788), wk = 0.0026525 k( 291) = ( 0.2651515 0.2651515 0.2217575), wk = 0.0026525 k( 292) = ( 0.2727273 0.2727273 0.2076363), wk = 0.0026525 k( 293) = ( 0.2803030 0.2803030 0.1935151), wk = 0.0026525 k( 294) = ( 0.2878788 0.2878788 0.1793938), wk = 0.0026525 k( 295) = ( 0.2954545 0.2954545 0.1652726), wk = 0.0026525 k( 296) = ( 0.3030303 0.3030303 0.1511513), wk = 0.0026525 k( 297) = ( 0.3106061 0.3106061 0.1370301), wk = 0.0026525 k( 298) = ( 0.3181818 0.3181818 0.1229089), wk = 0.0026525 k( 299) = ( 0.3257576 0.3257576 0.1087876), wk = 0.0026525 k( 300) = ( 0.3333333 0.3333333 0.0946664), wk = 0.0026525 k( 301) = ( 0.3409091 0.3409091 0.0805451), wk = 0.0026525 k( 302) = ( 0.3484849 0.3484848 0.0664239), wk = 0.0026525 k( 303) = ( 0.3560606 0.3560606 0.0523027), wk = 0.0026525 k( 304) = ( 0.3636364 0.3636364 0.0381814), wk = 0.0026525 k( 305) = ( 0.3712121 0.3712121 0.0240602), wk = 0.0026525 k( 306) = ( 0.3787879 0.3787879 0.0099390), wk = 0.0026525 k( 307) = ( 0.3863636 0.3863636 -0.0041823), wk = 0.0026525 k( 308) = ( 0.3939394 0.3939394 -0.0183035), wk = 0.0026525 k( 309) = ( 0.4015151 0.4015151 -0.0324248), wk = 0.0026525 k( 310) = ( 0.4090909 0.4090909 -0.0465460), wk = 0.0026525 k( 311) = ( 0.4166667 0.4166667 -0.0606672), wk = 0.0026525 k( 312) = ( 0.4242424 0.4242424 -0.0747885), wk = 0.0026525 k( 313) = ( 0.4318182 0.4318182 -0.0889097), wk = 0.0026525 k( 314) = ( 0.4393939 0.4393939 -0.1030310), wk = 0.0026525 k( 315) = ( 0.4469697 0.4469697 -0.1171522), wk = 0.0026525 k( 316) = ( 0.4545455 0.4545455 -0.1312734), wk = 0.0026525 k( 317) = ( 0.4621212 0.4621212 -0.1453947), wk = 0.0026525 k( 318) = ( 0.4696970 0.4696970 -0.1595159), wk = 0.0026525 k( 319) = ( 0.4772727 0.4772727 -0.1736372), wk = 0.0026525 k( 320) = ( 0.4848485 0.4848485 -0.1877584), wk = 0.0026525 k( 321) = ( 0.4924242 0.4924242 -0.2018796), wk = 0.0026525 k( 322) = ( 0.5000000 0.5000000 -0.2160009), wk = 0.0026525 k( 323) = ( 0.5000000 0.5000000 -0.2160009), wk = 0.0026525 k( 324) = ( 0.5000000 0.5000000 -0.2257939), wk = 0.0026525 k( 325) = ( 0.5000000 0.5000000 -0.2355870), wk = 0.0026525 k( 326) = ( 0.5000000 0.5000000 -0.2453801), wk = 0.0026525 k( 327) = ( 0.5000000 0.5000000 -0.2551732), wk = 0.0026525 k( 328) = ( 0.5000000 0.5000000 -0.2649662), wk = 0.0026525 k( 329) = ( 0.5000000 0.5000000 -0.2747593), wk = 0.0026525 k( 330) = ( 0.5000000 0.5000000 -0.2845524), wk = 0.0026525 k( 331) = ( 0.5000000 0.5000000 -0.2943455), wk = 0.0026525 k( 332) = ( 0.5000000 0.5000000 -0.3041385), wk = 0.0026525 k( 333) = ( 0.5000000 0.5000000 -0.3139316), wk = 0.0026525 k( 334) = ( 0.5000000 0.5000000 -0.3237247), wk = 0.0026525 k( 335) = ( 0.5000000 0.5000000 -0.3335178), wk = 0.0026525 k( 336) = ( 0.5000000 0.5000000 -0.3433108), wk = 0.0026525 k( 337) = ( 0.5000000 0.5000000 -0.3531039), wk = 0.0026525 k( 338) = ( 0.5000000 0.5000000 -0.3628970), wk = 0.0026525 k( 339) = ( 0.5000000 0.5000000 -0.3726900), wk = 0.0026525 k( 340) = ( 0.5000000 0.5000000 -0.3824831), wk = 0.0026525 k( 341) = ( 0.5000000 0.5000000 -0.3922762), wk = 0.0026525 k( 342) = ( 0.5000000 0.5000000 -0.4020693), wk = 0.0026525 k( 343) = ( 0.5000000 0.5000000 -0.4118623), wk = 0.0026525 k( 344) = ( 0.5000000 0.5000000 -0.4216554), wk = 0.0026525 k( 345) = ( 0.5000000 0.5000000 -0.4314485), wk = 0.0026525 k( 346) = ( 0.5000000 0.5000000 -0.4412416), wk = 0.0026525 k( 347) = ( 0.5000000 0.5000000 -0.4510346), wk = 0.0026525 k( 348) = ( 0.5000000 0.5000000 -0.4608277), wk = 0.0026525 k( 349) = ( 0.5000000 0.5000000 -0.4706208), wk = 0.0026525 k( 350) = ( 0.5000000 0.5000000 -0.4804139), wk = 0.0026525 k( 351) = ( 0.5000000 0.5000000 -0.4902069), wk = 0.0026525 k( 352) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026525 k( 353) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 354) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026525 k( 355) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026525 k( 356) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026525 k( 357) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026525 k( 358) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026525 k( 359) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026525 k( 360) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026525 k( 361) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026525 k( 362) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026525 k( 363) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026525 k( 364) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026525 k( 365) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026525 k( 366) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026525 k( 367) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026525 k( 368) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026525 k( 369) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026525 k( 370) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026525 k( 371) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026525 k( 372) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026525 k( 373) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026525 k( 374) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026525 k( 375) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026525 k( 376) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026525 k( 377) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 Dense grid: 42441 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18615 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 100, 40) NL pseudopotentials 0.08 Mb ( 50, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 884) G-vector shells 0.00 Mb ( 417) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 100, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 45.5 secs Computing kpt #: 4 total cpu time spent up to now is 46.6 secs Computing kpt #: 5 total cpu time spent up to now is 47.8 secs Computing kpt #: 6 total cpu time spent up to now is 48.9 secs Computing kpt #: 7 total cpu time spent up to now is 50.0 secs Computing kpt #: 8 total cpu time spent up to now is 51.1 secs Computing kpt #: 9 total cpu time spent up to now is 52.5 secs Computing kpt #: 10 total cpu time spent up to now is 53.6 secs Computing kpt #: 11 total cpu time spent up to now is 54.8 secs Computing kpt #: 12 total cpu time spent up to now is 55.9 secs Computing kpt #: 13 total cpu time spent up to now is 57.1 secs Computing kpt #: 14 total cpu time spent up to now is 58.3 secs Computing kpt #: 15 total cpu time spent up to now is 59.4 secs Computing kpt #: 16 total cpu time spent up to now is 60.5 secs Computing kpt #: 17 total cpu time spent up to now is 61.7 secs Computing kpt #: 18 total cpu time spent up to now is 62.8 secs Computing kpt #: 19 total cpu time spent up to now is 64.0 secs Computing kpt #: 20 total cpu time spent up to now is 65.2 secs Computing kpt #: 21 total cpu time spent up to now is 66.5 secs Computing kpt #: 22 total cpu time spent up to now is 67.6 secs Computing kpt #: 23 total cpu time spent up to now is 68.8 secs Computing kpt #: 24 total cpu time spent up to now is 70.0 secs Computing kpt #: 25 total cpu time spent up to now is 71.1 secs Computing kpt #: 26 total cpu time spent up to now is 72.3 secs Computing kpt #: 27 total cpu time spent up to now is 73.4 secs Computing kpt #: 28 total cpu time spent up to now is 74.6 secs Computing kpt #: 29 total cpu time spent up to now is 76.0 secs Computing kpt #: 30 total cpu time spent up to now is 77.1 secs Computing kpt #: 31 total cpu time spent up to now is 78.4 secs Computing kpt #: 32 total cpu time spent up to now is 79.6 secs Computing kpt #: 33 total cpu time spent up to now is 80.8 secs Computing kpt #: 34 total cpu time spent up to now is 82.0 secs Computing kpt #: 35 total cpu time spent up to now is 83.2 secs Computing kpt #: 36 total cpu time spent up to now is 84.3 secs Computing kpt #: 37 total cpu time spent up to now is 85.6 secs Computing kpt #: 38 total cpu time spent up to now is 86.8 secs Computing kpt #: 39 total cpu time spent up to now is 88.1 secs Computing kpt #: 40 total cpu time spent up to now is 89.4 secs Computing kpt #: 41 total cpu time spent up to now is 90.6 secs Computing kpt #: 42 total cpu time spent up to now is 91.8 secs Computing kpt #: 43 total cpu time spent up to now is 93.1 secs Computing kpt #: 44 total cpu time spent up to now is 94.3 secs Computing kpt #: 45 total cpu time spent up to now is 95.6 secs Computing kpt #: 46 total cpu time spent up to now is 96.8 secs Computing kpt #: 47 total cpu time spent up to now is 98.1 secs Computing kpt #: 48 total cpu time spent up to now is 99.3 secs Computing kpt #: 49 total cpu time spent up to now is 100.6 secs Computing kpt #: 50 total cpu time spent up to now is 101.8 secs Computing kpt #: 51 total cpu time spent up to now is 103.0 secs Computing kpt #: 52 total cpu time spent up to now is 104.2 secs Computing kpt #: 53 total cpu time spent up to now is 105.5 secs Computing kpt #: 54 total cpu time spent up to now is 106.7 secs Computing kpt #: 55 total cpu time spent up to now is 107.9 secs Computing kpt #: 56 total cpu time spent up to now is 109.1 secs Computing kpt #: 57 total cpu time spent up to now is 110.4 secs Computing kpt #: 58 total cpu time spent up to now is 111.6 secs Computing kpt #: 59 total cpu time spent up to now is 112.8 secs Computing kpt #: 60 total cpu time spent up to now is 114.1 secs Computing kpt #: 61 total cpu time spent up to now is 115.4 secs Computing kpt #: 62 total cpu time spent up to now is 116.7 secs Computing kpt #: 63 total cpu time spent up to now is 117.9 secs Computing kpt #: 64 total cpu time spent up to now is 119.2 secs Computing kpt #: 65 total cpu time spent up to now is 120.4 secs Computing kpt #: 66 total cpu time spent up to now is 121.7 secs Computing kpt #: 67 total cpu time spent up to now is 123.0 secs Computing kpt #: 68 total cpu time spent up to now is 124.3 secs Computing kpt #: 69 total cpu time spent up to now is 125.5 secs Computing kpt #: 70 total cpu time spent up to now is 126.6 secs Computing kpt #: 71 total cpu time spent up to now is 127.8 secs Computing kpt #: 72 total cpu time spent up to now is 128.9 secs Computing kpt #: 73 total cpu time spent up to now is 130.1 secs Computing kpt #: 74 total cpu time spent up to now is 131.2 secs Computing kpt #: 75 total cpu time spent up to now is 132.4 secs Computing kpt #: 76 total cpu time spent up to now is 133.5 secs Computing kpt #: 77 total cpu time spent up to now is 134.6 secs Computing kpt #: 78 total cpu time spent up to now is 135.7 secs Computing kpt #: 79 total cpu time spent up to now is 136.8 secs Computing kpt #: 80 total cpu time spent up to now is 137.9 secs Computing kpt #: 81 total cpu time spent up to now is 139.0 secs Computing kpt #: 82 total cpu time spent up to now is 140.2 secs Computing kpt #: 83 total cpu time spent up to now is 141.3 secs Computing kpt #: 84 total cpu time spent up to now is 142.5 secs Computing kpt #: 85 total cpu time spent up to now is 143.6 secs Computing kpt #: 86 total cpu time spent up to now is 144.7 secs Computing kpt #: 87 total cpu time spent up to now is 145.8 secs Computing kpt #: 88 total cpu time spent up to now is 147.0 secs Computing kpt #: 89 total cpu time spent up to now is 148.1 secs Computing kpt #: 90 total cpu time spent up to now is 149.2 secs Computing kpt #: 91 total cpu time spent up to now is 150.4 secs Computing kpt #: 92 total cpu time spent up to now is 151.5 secs Computing kpt #: 93 total cpu time spent up to now is 152.7 secs Computing kpt #: 94 total cpu time spent up to now is 153.8 secs Computing kpt #: 95 total cpu time spent up to now is 154.9 secs Computing kpt #: 96 total cpu time spent up to now is 156.1 secs Computing kpt #: 97 total cpu time spent up to now is 157.1 secs Computing kpt #: 98 total cpu time spent up to now is 158.2 secs Computing kpt #: 99 total cpu time spent up to now is 159.3 secs Computing kpt #: 100 total cpu time spent up to now is 160.4 secs Computing kpt #: 101 total cpu time spent up to now is 161.5 secs Computing kpt #: 102 total cpu time spent up to now is 162.6 secs Computing kpt #: 103 total cpu time spent up to now is 163.7 secs Computing kpt #: 104 total cpu time spent up to now is 164.9 secs Computing kpt #: 105 total cpu time spent up to now is 166.0 secs Computing kpt #: 106 total cpu time spent up to now is 167.1 secs Computing kpt #: 107 total cpu time spent up to now is 168.2 secs Computing kpt #: 108 total cpu time spent up to now is 169.3 secs Computing kpt #: 109 total cpu time spent up to now is 170.5 secs Computing kpt #: 110 total cpu time spent up to now is 171.6 secs Computing kpt #: 111 total cpu time spent up to now is 172.8 secs Computing kpt #: 112 total cpu time spent up to now is 173.9 secs Computing kpt #: 113 total cpu time spent up to now is 175.0 secs Computing kpt #: 114 total cpu time spent up to now is 176.1 secs Computing kpt #: 115 total cpu time spent up to now is 177.3 secs Computing kpt #: 116 total cpu time spent up to now is 178.4 secs Computing kpt #: 117 total cpu time spent up to now is 179.5 secs Computing kpt #: 118 total cpu time spent up to now is 180.7 secs Computing kpt #: 119 total cpu time spent up to now is 181.8 secs Computing kpt #: 120 total cpu time spent up to now is 183.0 secs Computing kpt #: 121 total cpu time spent up to now is 184.2 secs Computing kpt #: 122 total cpu time spent up to now is 185.4 secs Computing kpt #: 123 total cpu time spent up to now is 186.6 secs Computing kpt #: 124 total cpu time spent up to now is 187.8 secs Computing kpt #: 125 total cpu time spent up to now is 189.0 secs Computing kpt #: 126 total cpu time spent up to now is 190.2 secs Computing kpt #: 127 total cpu time spent up to now is 191.4 secs Computing kpt #: 128 total cpu time spent up to now is 192.6 secs Computing kpt #: 129 total cpu time spent up to now is 193.8 secs Computing kpt #: 130 total cpu time spent up to now is 195.0 secs Computing kpt #: 131 total cpu time spent up to now is 196.2 secs Computing kpt #: 132 total cpu time spent up to now is 197.4 secs Computing kpt #: 133 total cpu time spent up to now is 198.6 secs Computing kpt #: 134 total cpu time spent up to now is 199.7 secs Computing kpt #: 135 total cpu time spent up to now is 200.9 secs Computing kpt #: 136 total cpu time spent up to now is 202.1 secs Computing kpt #: 137 total cpu time spent up to now is 203.3 secs Computing kpt #: 138 total cpu time spent up to now is 204.4 secs Computing kpt #: 139 total cpu time spent up to now is 205.5 secs Computing kpt #: 140 total cpu time spent up to now is 206.7 secs Computing kpt #: 141 total cpu time spent up to now is 207.9 secs Computing kpt #: 142 total cpu time spent up to now is 209.0 secs Computing kpt #: 143 total cpu time spent up to now is 210.2 secs Computing kpt #: 144 total cpu time spent up to now is 211.3 secs Computing kpt #: 145 total cpu time spent up to now is 212.4 secs Computing kpt #: 146 total cpu time spent up to now is 213.5 secs Computing kpt #: 147 total cpu time spent up to now is 214.7 secs Computing kpt #: 148 total cpu time spent up to now is 215.8 secs Computing kpt #: 149 total cpu time spent up to now is 216.9 secs Computing kpt #: 150 total cpu time spent up to now is 217.9 secs Computing kpt #: 151 total cpu time spent up to now is 219.0 secs Computing kpt #: 152 total cpu time spent up to now is 220.1 secs Computing kpt #: 153 total cpu time spent up to now is 221.2 secs Computing kpt #: 154 total cpu time spent up to now is 222.3 secs Computing kpt #: 155 total cpu time spent up to now is 223.3 secs Computing kpt #: 156 total cpu time spent up to now is 224.4 secs Computing kpt #: 157 total cpu time spent up to now is 225.6 secs Computing kpt #: 158 total cpu time spent up to now is 226.7 secs Computing kpt #: 159 total cpu time spent up to now is 227.7 secs Computing kpt #: 160 total cpu time spent up to now is 228.8 secs Computing kpt #: 161 total cpu time spent up to now is 229.9 secs Computing kpt #: 162 total cpu time spent up to now is 230.9 secs Computing kpt #: 163 total cpu time spent up to now is 232.0 secs Computing kpt #: 164 total cpu time spent up to now is 233.1 secs Computing kpt #: 165 total cpu time spent up to now is 234.1 secs Computing kpt #: 166 total cpu time spent up to now is 235.2 secs Computing kpt #: 167 total cpu time spent up to now is 236.2 secs Computing kpt #: 168 total cpu time spent up to now is 237.2 secs Computing kpt #: 169 total cpu time spent up to now is 238.2 secs Computing kpt #: 170 total cpu time spent up to now is 239.2 secs Computing kpt #: 171 total cpu time spent up to now is 240.3 secs Computing kpt #: 172 total cpu time spent up to now is 241.3 secs Computing kpt #: 173 total cpu time spent up to now is 242.3 secs Computing kpt #: 174 total cpu time spent up to now is 243.4 secs Computing kpt #: 175 total cpu time spent up to now is 244.4 secs Computing kpt #: 176 total cpu time spent up to now is 245.4 secs Computing kpt #: 177 total cpu time spent up to now is 246.4 secs Computing kpt #: 178 total cpu time spent up to now is 247.4 secs Computing kpt #: 179 total cpu time spent up to now is 248.7 secs Computing kpt #: 180 total cpu time spent up to now is 249.7 secs Computing kpt #: 181 total cpu time spent up to now is 250.7 secs Computing kpt #: 182 total cpu time spent up to now is 251.6 secs Computing kpt #: 183 total cpu time spent up to now is 252.7 secs Computing kpt #: 184 total cpu time spent up to now is 253.6 secs Computing kpt #: 185 total cpu time spent up to now is 254.7 secs Computing kpt #: 186 total cpu time spent up to now is 255.8 secs Computing kpt #: 187 total cpu time spent up to now is 256.8 secs Computing kpt #: 188 total cpu time spent up to now is 257.8 secs Computing kpt #: 189 total cpu time spent up to now is 258.8 secs Computing kpt #: 190 total cpu time spent up to now is 259.8 secs Computing kpt #: 191 total cpu time spent up to now is 260.8 secs Computing kpt #: 192 total cpu time spent up to now is 261.9 secs Computing kpt #: 193 total cpu time spent up to now is 262.9 secs Computing kpt #: 194 total cpu time spent up to now is 263.9 secs Computing kpt #: 195 total cpu time spent up to now is 264.8 secs Computing kpt #: 196 total cpu time spent up to now is 265.8 secs Computing kpt #: 197 total cpu time spent up to now is 266.9 secs Computing kpt #: 198 total cpu time spent up to now is 267.9 secs Computing kpt #: 199 total cpu time spent up to now is 268.9 secs Computing kpt #: 200 total cpu time spent up to now is 269.9 secs Computing kpt #: 201 total cpu time spent up to now is 270.9 secs Computing kpt #: 202 total cpu time spent up to now is 271.8 secs Computing kpt #: 203 total cpu time spent up to now is 272.8 secs Computing kpt #: 204 total cpu time spent up to now is 274.0 secs Computing kpt #: 205 total cpu time spent up to now is 275.0 secs Computing kpt #: 206 total cpu time spent up to now is 276.0 secs Computing kpt #: 207 total cpu time spent up to now is 276.9 secs Computing kpt #: 208 total cpu time spent up to now is 277.9 secs Computing kpt #: 209 total cpu time spent up to now is 278.9 secs Computing kpt #: 210 total cpu time spent up to now is 280.0 secs Computing kpt #: 211 total cpu time spent up to now is 281.1 secs Computing kpt #: 212 total cpu time spent up to now is 282.2 secs Computing kpt #: 213 total cpu time spent up to now is 283.2 secs Computing kpt #: 214 total cpu time spent up to now is 284.3 secs Computing kpt #: 215 total cpu time spent up to now is 285.4 secs Computing kpt #: 216 total cpu time spent up to now is 286.5 secs Computing kpt #: 217 total cpu time spent up to now is 287.6 secs Computing kpt #: 218 total cpu time spent up to now is 288.6 secs Computing kpt #: 219 total cpu time spent up to now is 289.7 secs Computing kpt #: 220 total cpu time spent up to now is 290.8 secs Computing kpt #: 221 total cpu time spent up to now is 291.9 secs Computing kpt #: 222 total cpu time spent up to now is 293.1 secs Computing kpt #: 223 total cpu time spent up to now is 294.2 secs Computing kpt #: 224 total cpu time spent up to now is 295.3 secs Computing kpt #: 225 total cpu time spent up to now is 296.4 secs Computing kpt #: 226 total cpu time spent up to now is 297.6 secs Computing kpt #: 227 total cpu time spent up to now is 298.7 secs Computing kpt #: 228 total cpu time spent up to now is 299.9 secs Computing kpt #: 229 total cpu time spent up to now is 301.0 secs Computing kpt #: 230 total cpu time spent up to now is 302.1 secs Computing kpt #: 231 total cpu time spent up to now is 303.2 secs Computing kpt #: 232 total cpu time spent up to now is 304.4 secs Computing kpt #: 233 total cpu time spent up to now is 305.5 secs Computing kpt #: 234 total cpu time spent up to now is 306.6 secs Computing kpt #: 235 total cpu time spent up to now is 307.7 secs Computing kpt #: 236 total cpu time spent up to now is 308.9 secs Computing kpt #: 237 total cpu time spent up to now is 310.1 secs Computing kpt #: 238 total cpu time spent up to now is 311.3 secs Computing kpt #: 239 total cpu time spent up to now is 312.5 secs Computing kpt #: 240 total cpu time spent up to now is 313.6 secs Computing kpt #: 241 total cpu time spent up to now is 314.8 secs Computing kpt #: 242 total cpu time spent up to now is 316.0 secs Computing kpt #: 243 total cpu time spent up to now is 317.2 secs Computing kpt #: 244 total cpu time spent up to now is 318.4 secs Computing kpt #: 245 total cpu time spent up to now is 319.5 secs Computing kpt #: 246 total cpu time spent up to now is 320.7 secs Computing kpt #: 247 total cpu time spent up to now is 321.9 secs Computing kpt #: 248 total cpu time spent up to now is 323.1 secs Computing kpt #: 249 total cpu time spent up to now is 324.3 secs Computing kpt #: 250 total cpu time spent up to now is 325.4 secs Computing kpt #: 251 total cpu time spent up to now is 326.5 secs Computing kpt #: 252 total cpu time spent up to now is 327.7 secs Computing kpt #: 253 total cpu time spent up to now is 328.9 secs Computing kpt #: 254 total cpu time spent up to now is 330.1 secs Computing kpt #: 255 total cpu time spent up to now is 331.2 secs Computing kpt #: 256 total cpu time spent up to now is 332.3 secs Computing kpt #: 257 total cpu time spent up to now is 333.5 secs Computing kpt #: 258 total cpu time spent up to now is 334.7 secs Computing kpt #: 259 total cpu time spent up to now is 335.8 secs Computing kpt #: 260 total cpu time spent up to now is 337.0 secs Computing kpt #: 261 total cpu time spent up to now is 338.1 secs Computing kpt #: 262 total cpu time spent up to now is 339.3 secs Computing kpt #: 263 total cpu time spent up to now is 340.5 secs Computing kpt #: 264 total cpu time spent up to now is 341.7 secs Computing kpt #: 265 total cpu time spent up to now is 342.8 secs Computing kpt #: 266 total cpu time spent up to now is 344.0 secs Computing kpt #: 267 total cpu time spent up to now is 345.2 secs Computing kpt #: 268 total cpu time spent up to now is 346.4 secs Computing kpt #: 269 total cpu time spent up to now is 347.6 secs Computing kpt #: 270 total cpu time spent up to now is 348.7 secs Computing kpt #: 271 total cpu time spent up to now is 349.9 secs Computing kpt #: 272 total cpu time spent up to now is 351.0 secs Computing kpt #: 273 total cpu time spent up to now is 352.1 secs Computing kpt #: 274 total cpu time spent up to now is 353.3 secs Computing kpt #: 275 total cpu time spent up to now is 354.4 secs Computing kpt #: 276 total cpu time spent up to now is 355.5 secs Computing kpt #: 277 total cpu time spent up to now is 356.6 secs Computing kpt #: 278 total cpu time spent up to now is 357.7 secs Computing kpt #: 279 total cpu time spent up to now is 358.7 secs Computing kpt #: 280 total cpu time spent up to now is 359.8 secs Computing kpt #: 281 total cpu time spent up to now is 360.9 secs Computing kpt #: 282 total cpu time spent up to now is 362.0 secs Computing kpt #: 283 total cpu time spent up to now is 363.1 secs Computing kpt #: 284 total cpu time spent up to now is 364.2 secs Computing kpt #: 285 total cpu time spent up to now is 365.3 secs Computing kpt #: 286 total cpu time spent up to now is 366.3 secs Computing kpt #: 287 total cpu time spent up to now is 367.3 secs Computing kpt #: 288 total cpu time spent up to now is 368.4 secs Computing kpt #: 289 total cpu time spent up to now is 369.5 secs Computing kpt #: 290 total cpu time spent up to now is 370.6 secs Computing kpt #: 291 total cpu time spent up to now is 371.7 secs Computing kpt #: 292 total cpu time spent up to now is 372.8 secs Computing kpt #: 293 total cpu time spent up to now is 373.8 secs Computing kpt #: 294 total cpu time spent up to now is 375.0 secs Computing kpt #: 295 total cpu time spent up to now is 376.2 secs Computing kpt #: 296 total cpu time spent up to now is 377.3 secs Computing kpt #: 297 total cpu time spent up to now is 378.4 secs Computing kpt #: 298 total cpu time spent up to now is 379.5 secs Computing kpt #: 299 total cpu time spent up to now is 380.6 secs Computing kpt #: 300 total cpu time spent up to now is 381.7 secs Computing kpt #: 301 total cpu time spent up to now is 382.8 secs Computing kpt #: 302 total cpu time spent up to now is 383.9 secs Computing kpt #: 303 total cpu time spent up to now is 385.0 secs Computing kpt #: 304 total cpu time spent up to now is 386.2 secs Computing kpt #: 305 total cpu time spent up to now is 387.4 secs Computing kpt #: 306 total cpu time spent up to now is 388.5 secs Computing kpt #: 307 total cpu time spent up to now is 389.6 secs Computing kpt #: 308 total cpu time spent up to now is 390.8 secs Computing kpt #: 309 total cpu time spent up to now is 391.9 secs Computing kpt #: 310 total cpu time spent up to now is 393.2 secs Computing kpt #: 311 total cpu time spent up to now is 394.4 secs Computing kpt #: 312 total cpu time spent up to now is 395.5 secs Computing kpt #: 313 total cpu time spent up to now is 396.6 secs Computing kpt #: 314 total cpu time spent up to now is 397.8 secs Computing kpt #: 315 total cpu time spent up to now is 398.9 secs Computing kpt #: 316 total cpu time spent up to now is 400.2 secs Computing kpt #: 317 total cpu time spent up to now is 401.3 secs Computing kpt #: 318 total cpu time spent up to now is 402.5 secs Computing kpt #: 319 total cpu time spent up to now is 403.6 secs Computing kpt #: 320 total cpu time spent up to now is 404.8 secs Computing kpt #: 321 total cpu time spent up to now is 405.9 secs Computing kpt #: 322 total cpu time spent up to now is 407.1 secs Computing kpt #: 323 total cpu time spent up to now is 408.3 secs Computing kpt #: 324 total cpu time spent up to now is 409.3 secs Computing kpt #: 325 total cpu time spent up to now is 410.5 secs Computing kpt #: 326 total cpu time spent up to now is 411.6 secs Computing kpt #: 327 total cpu time spent up to now is 412.7 secs Computing kpt #: 328 total cpu time spent up to now is 413.9 secs Computing kpt #: 329 total cpu time spent up to now is 415.0 secs Computing kpt #: 330 total cpu time spent up to now is 416.1 secs Computing kpt #: 331 total cpu time spent up to now is 417.1 secs Computing kpt #: 332 total cpu time spent up to now is 418.2 secs Computing kpt #: 333 total cpu time spent up to now is 419.2 secs Computing kpt #: 334 total cpu time spent up to now is 420.2 secs Computing kpt #: 335 total cpu time spent up to now is 421.3 secs Computing kpt #: 336 total cpu time spent up to now is 422.3 secs Computing kpt #: 337 total cpu time spent up to now is 423.5 secs Computing kpt #: 338 total cpu time spent up to now is 424.5 secs Computing kpt #: 339 total cpu time spent up to now is 425.5 secs Computing kpt #: 340 total cpu time spent up to now is 426.5 secs Computing kpt #: 341 total cpu time spent up to now is 427.6 secs Computing kpt #: 342 total cpu time spent up to now is 428.7 secs Computing kpt #: 343 total cpu time spent up to now is 429.7 secs Computing kpt #: 344 total cpu time spent up to now is 430.7 secs Computing kpt #: 345 total cpu time spent up to now is 431.7 secs Computing kpt #: 346 total cpu time spent up to now is 432.6 secs Computing kpt #: 347 total cpu time spent up to now is 433.5 secs Computing kpt #: 348 total cpu time spent up to now is 434.5 secs Computing kpt #: 349 total cpu time spent up to now is 435.5 secs Computing kpt #: 350 total cpu time spent up to now is 436.5 secs Computing kpt #: 351 total cpu time spent up to now is 437.4 secs Computing kpt #: 352 total cpu time spent up to now is 438.4 secs Computing kpt #: 353 total cpu time spent up to now is 439.6 secs Computing kpt #: 354 total cpu time spent up to now is 440.8 secs Computing kpt #: 355 total cpu time spent up to now is 442.1 secs Computing kpt #: 356 total cpu time spent up to now is 443.3 secs Computing kpt #: 357 total cpu time spent up to now is 444.5 secs Computing kpt #: 358 total cpu time spent up to now is 445.8 secs Computing kpt #: 359 total cpu time spent up to now is 447.0 secs Computing kpt #: 360 total cpu time spent up to now is 448.2 secs Computing kpt #: 361 total cpu time spent up to now is 449.3 secs Computing kpt #: 362 total cpu time spent up to now is 450.5 secs Computing kpt #: 363 total cpu time spent up to now is 451.6 secs Computing kpt #: 364 total cpu time spent up to now is 452.8 secs Computing kpt #: 365 total cpu time spent up to now is 454.0 secs Computing kpt #: 366 total cpu time spent up to now is 455.1 secs Computing kpt #: 367 total cpu time spent up to now is 456.2 secs Computing kpt #: 368 total cpu time spent up to now is 457.4 secs Computing kpt #: 369 total cpu time spent up to now is 458.4 secs Computing kpt #: 370 total cpu time spent up to now is 459.6 secs Computing kpt #: 371 total cpu time spent up to now is 460.7 secs Computing kpt #: 372 total cpu time spent up to now is 461.8 secs Computing kpt #: 373 total cpu time spent up to now is 462.9 secs Computing kpt #: 374 total cpu time spent up to now is 464.0 secs Computing kpt #: 375 total cpu time spent up to now is 465.2 secs Computing kpt #: 376 total cpu time spent up to now is 466.3 secs Computing kpt #: 377 total cpu time spent up to now is 467.4 secs ethr = 3.13E-11, avg # of iterations = 34.3 total cpu time spent up to now is 467.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2317 PWs) bands (ev): -18.4886 -18.4886 -15.1084 -15.1084 -15.1027 -15.1027 -14.9068 -14.9068 -8.0948 -8.0948 -4.2892 -4.2892 -4.2828 -4.2828 -3.6761 -3.6761 -0.4884 -0.4884 0.4597 0.4597 1.3199 1.3199 1.4979 1.4979 1.5219 1.5219 1.6312 1.6312 2.6206 2.6206 2.6302 2.6302 10.4564 10.4564 11.5507 11.5507 13.7356 13.7356 13.7634 13.7634 k = 0.0000 0.0000 0.0144 ( 2317 PWs) bands (ev): -18.4881 -18.4881 -15.1091 -15.1090 -15.1033 -15.1033 -14.9070 -14.9068 -8.0935 -8.0935 -4.2897 -4.2893 -4.2829 -4.2828 -3.6752 -3.6746 -0.4892 -0.4888 0.4602 0.4603 1.3189 1.3194 1.4976 1.4977 1.5214 1.5216 1.6303 1.6303 2.6206 2.6207 2.6301 2.6304 10.4590 10.4590 11.5518 11.5524 13.7344 13.7348 13.7623 13.7625 k = 0.0000 0.0000 0.0288 ( 2321 PWs) bands (ev): -18.4864 -18.4864 -15.1116 -15.1113 -15.1045 -15.1045 -14.9075 -14.9072 -8.0897 -8.0896 -4.2923 -4.2913 -4.2818 -4.2814 -3.6721 -3.6710 -0.4911 -0.4904 0.4617 0.4619 1.3165 1.3174 1.4966 1.4969 1.5205 1.5209 1.6276 1.6277 2.6205 2.6209 2.6301 2.6308 10.4669 10.4670 11.5557 11.5570 13.7312 13.7319 13.7595 13.7600 k = 0.0000 0.0000 0.0432 ( 2329 PWs) bands (ev): -18.4836 -18.4836 -15.1165 -15.1160 -15.1058 -15.1056 -14.9083 -14.9078 -8.0833 -8.0833 -4.2978 -4.2964 -4.2783 -4.2777 -3.6669 -3.6651 -0.4942 -0.4932 0.4643 0.4646 1.3122 1.3136 1.4944 1.4951 1.5197 1.5202 1.6230 1.6234 2.6205 2.6210 2.6302 2.6313 10.4801 10.4801 11.5623 11.5642 13.7254 13.7264 13.7555 13.7563 k = 0.0000 0.0000 0.0576 ( 2329 PWs) bands (ev): -18.4798 -18.4798 -15.1238 -15.1232 -15.1069 -15.1066 -14.9093 -14.9087 -8.0744 -8.0743 -4.3057 -4.3039 -4.2729 -4.2720 -3.6595 -3.6572 -0.4984 -0.4971 0.4680 0.4684 1.3059 1.3078 1.4907 1.4921 1.5195 1.5203 1.6168 1.6177 2.6203 2.6211 2.6307 2.6322 10.4984 10.4984 11.5717 11.5742 13.7165 13.7177 13.7510 13.7523 k = 0.0000 0.0000 0.0720 ( 2333 PWs) bands (ev): -18.4748 -18.4748 -15.1333 -15.1326 -15.1081 -15.1077 -14.9107 -14.9100 -8.0629 -8.0629 -4.3158 -4.3137 -4.2657 -4.2646 -3.6502 -3.6474 -0.5038 -0.5021 0.4728 0.4733 1.2970 1.2996 1.4851 1.4877 1.5201 1.5216 1.6090 1.6110 2.6199 2.6210 2.6317 2.6335 10.5218 10.5219 11.5837 11.5869 13.7042 13.7055 13.7465 13.7484 k = 0.0000 0.0000 0.0864 ( 2331 PWs) bands (ev): -18.4687 -18.4687 -15.1450 -15.1442 -15.1094 -15.1089 -14.9124 -14.9115 -8.0490 -8.0490 -4.3278 -4.3254 -4.2568 -4.2555 -3.6390 -3.6358 -0.5103 -0.5083 0.4787 0.4793 1.2853 1.2885 1.4780 1.4818 1.5210 1.5243 1.6002 1.6039 2.6192 2.6206 2.6331 2.6353 10.5502 10.5503 11.5982 11.6021 13.6886 13.6900 13.7424 13.7448 k = 0.0000 0.0000 0.1008 ( 2327 PWs) bands (ev): -18.4615 -18.4615 -15.1587 -15.1579 -15.1108 -15.1103 -14.9144 -14.9134 -8.0327 -8.0326 -4.3416 -4.3389 -4.2463 -4.2448 -3.6262 -3.6226 -0.5179 -0.5156 0.4856 0.4863 1.2704 1.2741 1.4694 1.4748 1.5212 1.5276 1.5914 1.5979 2.6182 2.6199 2.6350 2.6375 10.5834 10.5835 11.6152 11.6198 13.6699 13.6714 13.7385 13.7415 k = 0.0000 0.0000 0.1152 ( 2325 PWs) bands (ev): -18.4533 -18.4533 -15.1744 -15.1735 -15.1124 -15.1118 -14.9166 -14.9156 -8.0139 -8.0138 -4.3570 -4.3542 -4.2342 -4.2324 -3.6120 -3.6079 -0.5267 -0.5240 0.4937 0.4945 1.2522 1.2564 1.4593 1.4667 1.5189 1.5296 1.5846 1.5945 2.6170 2.6191 2.6374 2.6401 10.6214 10.6215 11.6346 11.6398 13.6485 13.6501 13.7349 13.7386 k = 0.0000 0.0000 0.1296 ( 2325 PWs) bands (ev): -18.4440 -18.4439 -15.1920 -15.1911 -15.1142 -15.1135 -14.9192 -14.9181 -7.9928 -7.9927 -4.3739 -4.3709 -4.2206 -4.2186 -3.5963 -3.5919 -0.5365 -0.5335 0.5028 0.5037 1.2305 1.2351 1.4477 1.4574 1.5128 1.5275 1.5831 1.5957 2.6157 2.6180 2.6401 2.6432 10.6638 10.6639 11.6561 11.6620 13.6248 13.6264 13.7316 13.7360 k = 0.0000 0.0000 0.1440 ( 2323 PWs) bands (ev): -18.4336 -18.4335 -15.2114 -15.2105 -15.1162 -15.1154 -14.9222 -14.9209 -7.9694 -7.9693 -4.3922 -4.3890 -4.2054 -4.2032 -3.5795 -3.5747 -0.5473 -0.5440 0.5129 0.5139 1.2056 1.2104 1.4343 1.4464 1.5029 1.5201 1.5885 1.6020 2.6142 2.6168 2.6433 2.6466 10.7106 10.7108 11.6797 11.6863 13.5989 13.6006 13.7289 13.7339 k = 0.0000 0.0000 0.1584 ( 2323 PWs) bands (ev): -18.4221 -18.4221 -15.2326 -15.2317 -15.1183 -15.1174 -14.9254 -14.9241 -7.9437 -7.9436 -4.4117 -4.4084 -4.1887 -4.1863 -3.5617 -3.5565 -0.5591 -0.5555 0.5242 0.5253 1.1775 1.1825 1.4185 1.4329 1.4906 1.5092 1.5995 1.6126 2.6127 2.6155 2.6468 2.6503 10.7616 10.7617 11.7052 11.7125 13.5712 13.5729 13.7268 13.7325 k = 0.0000 0.0000 0.1728 ( 2323 PWs) bands (ev): -18.4096 -18.4096 -15.2555 -15.2546 -15.1205 -15.1196 -14.9289 -14.9276 -7.9158 -7.9157 -4.4324 -4.4290 -4.1706 -4.1679 -3.5429 -3.5375 -0.5719 -0.5679 0.5364 0.5376 1.1464 1.1514 1.4001 1.4162 1.4777 1.4970 1.6141 1.6265 2.6110 2.6142 2.6505 2.6544 10.8164 10.8166 11.7323 11.7403 13.5419 13.5437 13.7256 13.7319 k = 0.0000 0.0000 0.1872 ( 2331 PWs) bands (ev): -18.3961 -18.3960 -15.2801 -15.2792 -15.1229 -15.1219 -14.9328 -14.9314 -7.8858 -7.8857 -4.4542 -4.4506 -4.1510 -4.1482 -3.5233 -3.5176 -0.5855 -0.5812 0.5496 0.5509 1.1127 1.1175 1.3789 1.3956 1.4655 1.4847 1.6313 1.6431 2.6092 2.6127 2.6546 2.6587 10.8749 10.8752 11.7610 11.7697 13.5113 13.5131 13.7254 13.7325 k = 0.0000 0.0000 0.2016 ( 2339 PWs) bands (ev): -18.3815 -18.3815 -15.3063 -15.3053 -15.1255 -15.1244 -14.9369 -14.9354 -7.8538 -7.8537 -4.4769 -4.4733 -4.1301 -4.1270 -3.5031 -3.4971 -0.5999 -0.5953 0.5637 0.5651 1.0765 1.0811 1.3547 1.3712 1.4544 1.4728 1.6506 1.6619 2.6073 2.6111 2.6588 2.6633 10.9369 10.9372 11.7910 11.8004 13.4796 13.4815 13.7265 13.7343 k = 0.0000 0.0000 0.2160 ( 2337 PWs) bands (ev): -18.3659 -18.3659 -15.3339 -15.3330 -15.1281 -15.1269 -14.9413 -14.9398 -7.8197 -7.8196 -4.5006 -4.4969 -4.1079 -4.1046 -3.4823 -3.4761 -0.6150 -0.6101 0.5786 0.5801 1.0382 1.0424 1.3279 1.3436 1.4442 1.4616 1.6716 1.6825 2.6054 2.6094 2.6633 2.6680 11.0021 11.0024 11.8221 11.8323 13.4471 13.4490 13.7290 13.7375 k = 0.0000 0.0000 0.2304 ( 2341 PWs) bands (ev): -18.3493 -18.3493 -15.3631 -15.3622 -15.1309 -15.1296 -14.9459 -14.9443 -7.7838 -7.7836 -4.5252 -4.5215 -4.0844 -4.0808 -3.4610 -3.4546 -0.6307 -0.6255 0.5943 0.5959 0.9979 1.0016 1.2985 1.3132 1.4346 1.4508 1.6941 1.7047 2.6033 2.6076 2.6680 2.6729 11.0702 11.0706 11.8541 11.8650 13.4140 13.4159 13.7331 13.7424 k = 0.0000 0.0000 0.2448 ( 2341 PWs) bands (ev): -18.3318 -18.3317 -15.3935 -15.3926 -15.1337 -15.1324 -14.9508 -14.9492 -7.7460 -7.7458 -4.5506 -4.5469 -4.0596 -4.0559 -3.4394 -3.4327 -0.6469 -0.6414 0.6106 0.6123 0.9559 0.9592 1.2670 1.2806 1.4255 1.4406 1.7179 1.7283 2.6011 2.6057 2.6728 2.6780 11.1409 11.1414 11.8868 11.8985 13.3805 13.3824 13.7390 13.7491 k = 0.0000 0.0000 0.2592 ( 2343 PWs) bands (ev): -18.3133 -18.3132 -15.4253 -15.4244 -15.1366 -15.1352 -14.9559 -14.9542 -7.7064 -7.7062 -4.5768 -4.5731 -4.0337 -4.0298 -3.4175 -3.4106 -0.6635 -0.6578 0.6274 0.6292 0.9125 0.9152 1.2336 1.2461 1.4168 1.4308 1.7429 1.7531 2.5988 2.6036 2.6777 2.6831 11.2139 11.2145 11.9201 11.9325 13.3469 13.3487 13.7469 13.7578 k = 0.0000 0.0000 0.2736 ( 2339 PWs) bands (ev): -18.2938 -18.2938 -15.4582 -15.4574 -15.1396 -15.1381 -14.9612 -14.9595 -7.6651 -7.6649 -4.6038 -4.6001 -4.0067 -4.0026 -3.3954 -3.3883 -0.6804 -0.6744 0.6445 0.6464 0.8679 0.8700 1.1984 1.2100 1.4084 1.4215 1.7688 1.7789 2.5963 2.6014 2.6826 2.6884 11.2890 11.2897 11.9537 11.9668 13.3133 13.3152 13.7568 13.7685 k = 0.0000 0.0000 0.2880 ( 2335 PWs) bands (ev): -18.2735 -18.2734 -15.4923 -15.4916 -15.1426 -15.1411 -14.9666 -14.9649 -7.6222 -7.6220 -4.6315 -4.6279 -3.9787 -3.9743 -3.3733 -3.3660 -0.6975 -0.6911 0.6617 0.6637 0.8222 0.8237 1.1618 1.1725 1.4005 1.4127 1.7955 1.8057 2.5936 2.5990 2.6876 2.6936 11.3658 11.3666 11.9876 12.0013 13.2800 13.2818 13.7689 13.7813 k = 0.0000 0.0000 0.3024 ( 2339 PWs) bands (ev): -18.2522 -18.2522 -15.5275 -15.5267 -15.1457 -15.1441 -14.9722 -14.9705 -7.5778 -7.5776 -4.6600 -4.6564 -3.9498 -3.9452 -3.3512 -3.3437 -0.7145 -0.7079 0.6789 0.6810 0.7758 0.7766 1.1240 1.1338 1.3931 1.4045 1.8230 1.8331 2.5908 2.5964 2.6926 2.6988 11.4439 11.4449 12.0215 12.0359 13.2472 13.2489 13.7831 13.7963 k = 0.0000 0.0000 0.3168 ( 2347 PWs) bands (ev): -18.2301 -18.2301 -15.5636 -15.5629 -15.1487 -15.1472 -14.9780 -14.9762 -7.5319 -7.5317 -4.6893 -4.6857 -3.9200 -3.9152 -3.3292 -3.3216 -0.7315 -0.7246 0.6956 0.6979 0.7286 0.7292 1.0851 1.0942 1.3863 1.3971 1.8510 1.8612 2.5877 2.5936 2.6976 2.7040 11.5231 11.5242 12.0555 12.0705 13.2149 13.2166 13.7994 13.8133 k = 0.0000 0.0000 0.3312 ( 2343 PWs) bands (ev): -18.2072 -18.2071 -15.6006 -15.5999 -15.1518 -15.1502 -14.9839 -14.9820 -7.4846 -7.4844 -4.7193 -4.7158 -3.8894 -3.8843 -3.3075 -3.2996 -0.7481 -0.7410 0.6805 0.6814 0.7121 0.7142 1.0453 1.0539 1.3804 1.3906 1.8794 1.8898 2.5843 2.5905 2.7024 2.7090 11.6029 11.6042 12.0895 12.1050 13.1835 13.1852 13.8178 13.8324 k = 0.0000 0.0000 0.3456 ( 2351 PWs) bands (ev): -18.1834 -18.1834 -15.6384 -15.6378 -15.1549 -15.1532 -14.9898 -14.9880 -7.4361 -7.4359 -4.7500 -4.7466 -3.8581 -3.8528 -3.2860 -3.2781 -0.7644 -0.7570 0.6321 0.6338 0.7272 0.7294 1.0049 1.0131 1.3757 1.3853 1.9081 1.9187 2.5808 2.5872 2.7072 2.7140 11.6829 11.6844 12.1234 12.1394 13.1531 13.1547 13.8381 13.8534 k = 0.0000 0.0000 0.3600 ( 2343 PWs) bands (ev): -18.1589 -18.1588 -15.6769 -15.6763 -15.1580 -15.1562 -14.9959 -14.9940 -7.3863 -7.3861 -4.7814 -4.7781 -3.8261 -3.8207 -3.2650 -3.2569 -0.7801 -0.7725 0.5837 0.5861 0.7410 0.7434 0.9640 0.9720 1.3723 1.3814 1.9370 1.9478 2.5769 2.5836 2.7118 2.7188 11.7626 11.7644 12.1573 12.1738 13.1238 13.1254 13.8600 13.8760 k = 0.0000 0.0000 0.3744 ( 2347 PWs) bands (ev): -18.1337 -18.1336 -15.7161 -15.7155 -15.1610 -15.1592 -15.0020 -15.0000 -7.3354 -7.3352 -4.8136 -4.8103 -3.7937 -3.7881 -3.2446 -3.2363 -0.7952 -0.7872 0.5352 0.5385 0.7529 0.7555 0.9230 0.9311 1.3707 1.3793 1.9659 1.9769 2.5728 2.5797 2.7162 2.7233 11.8416 11.8436 12.1914 12.2083 13.0958 13.0973 13.8834 13.8999 k = 0.0000 0.0000 0.3888 ( 2347 PWs) bands (ev): -18.1077 -18.1077 -15.7558 -15.7552 -15.1640 -15.1622 -15.0081 -15.0061 -7.2834 -7.2833 -4.8466 -4.8434 -3.7609 -3.7550 -3.2247 -3.2162 -0.8093 -0.8012 0.4868 0.4910 0.7623 0.7654 0.8823 0.8908 1.3710 1.3791 1.9947 2.0059 2.5684 2.5757 2.7204 2.7277 11.9192 11.9215 12.2260 12.2430 13.0692 13.0708 13.9079 13.9249 k = 0.0000 0.0000 0.4032 ( 2345 PWs) bands (ev): -18.0812 -18.0811 -15.7959 -15.7953 -15.1669 -15.1651 -15.0142 -15.0122 -7.2305 -7.2303 -4.8803 -4.8771 -3.7278 -3.7217 -3.2055 -3.1970 -0.8225 -0.8141 0.4387 0.4438 0.7680 0.7721 0.8427 0.8522 1.3736 1.3812 2.0232 2.0347 2.5638 2.5714 2.7244 2.7317 11.9947 11.9974 12.2612 12.2783 13.0442 13.0458 13.9330 13.9505 k = 0.0000 0.0000 0.4176 ( 2345 PWs) bands (ev): -18.0540 -18.0539 -15.8364 -15.8358 -15.1697 -15.1679 -15.0203 -15.0183 -7.1767 -7.1765 -4.9147 -4.9117 -3.6944 -3.6882 -3.1872 -3.1785 -0.8345 -0.8258 0.3909 0.3969 0.7660 0.7719 0.8080 0.8188 1.3787 1.3858 2.0512 2.0630 2.5590 2.5669 2.7280 2.7355 12.0673 12.0705 12.2977 12.3145 13.0209 13.0226 13.9584 13.9763 k = 0.0000 0.0000 0.4320 ( 2343 PWs) bands (ev): -18.0263 -18.0262 -15.8771 -15.8766 -15.1725 -15.1706 -15.0263 -15.0243 -7.1221 -7.1219 -4.9500 -4.9470 -3.6610 -3.6545 -3.1698 -3.1609 -0.8452 -0.8363 0.3434 0.3503 0.7469 0.7518 0.7923 0.7997 1.3865 1.3931 2.0785 2.0907 2.5541 2.5622 2.7313 2.7389 12.1360 12.1397 12.3360 12.3523 12.9995 13.0013 13.9836 14.0018 k = 0.0000 0.0000 0.4464 ( 2337 PWs) bands (ev): -17.9981 -17.9980 -15.9179 -15.9174 -15.1751 -15.1733 -15.0323 -15.0303 -7.0667 -7.0666 -4.9861 -4.9832 -3.6276 -3.6209 -3.1533 -3.1444 -0.8544 -0.8453 0.2962 0.3040 0.7131 0.7187 0.7885 0.7924 1.3969 1.4031 2.1050 2.1175 2.5491 2.5576 2.7343 2.7420 12.1997 12.2040 12.3772 12.3924 12.9800 12.9819 14.0079 14.0264 k = 0.0000 0.0000 0.4608 ( 2341 PWs) bands (ev): -17.9696 -17.9695 -15.9588 -15.9583 -15.1777 -15.1758 -15.0382 -15.0362 -7.0108 -7.0106 -5.0229 -5.0202 -3.5943 -3.5875 -3.1380 -3.1289 -0.8621 -0.8527 0.2493 0.2580 0.6768 0.6836 0.7845 0.7869 1.4100 1.4157 2.1304 2.1433 2.5442 2.5530 2.7368 2.7445 12.2571 12.2625 12.4217 12.4353 12.9626 12.9647 14.0309 14.0496 k = 0.0000 0.0000 0.4752 ( 2345 PWs) bands (ev): -17.9407 -17.9406 -15.9995 -15.9991 -15.1801 -15.1783 -15.0439 -15.0419 -6.9542 -6.9541 -5.0606 -5.0579 -3.5613 -3.5543 -3.1238 -3.1146 -0.8680 -0.8584 0.2026 0.2122 0.6412 0.6489 0.7784 0.7800 1.4256 1.4309 2.1545 2.1677 2.5396 2.5487 2.7389 2.7467 12.3080 12.3146 12.4695 12.4811 12.9474 12.9497 14.0519 14.0707 k = 0.0000 0.0000 0.4896 ( 2349 PWs) bands (ev): -17.9116 -17.9115 -16.0401 -16.0397 -15.1824 -15.1806 -15.0496 -15.0476 -6.8972 -6.8970 -5.0991 -5.0966 -3.5287 -3.5215 -3.1108 -3.1016 -0.8720 -0.8622 0.1562 0.1666 0.6072 0.6157 0.7699 0.7711 1.4434 1.4484 2.1769 2.1904 2.5355 2.5449 2.7406 2.7483 12.3529 12.3609 12.5197 12.5291 12.9345 12.9370 14.0702 14.0890 k = 0.0000 0.0000 0.5040 ( 2341 PWs) bands (ev): -17.8824 -17.8823 -16.0803 -16.0799 -15.1846 -15.1828 -15.0550 -15.0531 -6.8398 -6.8396 -5.1385 -5.1361 -3.4965 -3.4891 -3.0991 -3.0898 -0.8741 -0.8641 0.1099 0.1211 0.5753 0.5844 0.7590 0.7602 1.4633 1.4679 2.1974 2.2111 2.5323 2.5419 2.7417 2.7495 12.3931 12.4022 12.5705 12.5780 12.9239 12.9267 14.0854 14.1041 k = 0.0000 0.0000 0.5184 ( 2341 PWs) bands (ev): -17.8531 -17.8530 -16.1200 -16.1197 -15.1867 -15.1849 -15.0603 -15.0584 -6.7821 -6.7819 -5.1788 -5.1764 -3.4649 -3.4574 -3.0888 -3.0794 -0.8740 -0.8638 0.0638 0.0756 0.5459 0.5554 0.7461 0.7473 1.4848 1.4891 2.2155 2.2294 2.5301 2.5398 2.7423 2.7501 12.4297 12.4396 12.6204 12.6262 12.9159 12.9189 14.0967 14.1153 k = 0.0000 0.0000 0.5328 ( 2335 PWs) bands (ev): -17.8240 -17.8239 -16.1591 -16.1588 -15.1885 -15.1868 -15.0654 -15.0635 -6.7241 -6.7240 -5.2198 -5.2176 -3.4340 -3.4263 -3.0799 -3.0705 -0.8717 -0.8614 0.0177 0.0301 0.5191 0.5291 0.7313 0.7328 1.5077 1.5116 2.2310 2.2448 2.5296 2.5392 2.7423 2.7500 12.4638 12.4741 12.6680 12.6725 12.9104 12.9138 14.1038 14.1220 k = 0.0000 0.0000 0.5472 ( 2330 PWs) bands (ev): -17.7951 -17.7950 -16.1973 -16.1970 -15.1903 -15.1886 -15.0703 -15.0685 -6.6661 -6.6659 -5.2618 -5.2597 -3.4039 -3.3961 -3.0724 -3.0630 -0.8672 -0.8566 -0.0283 -0.0155 0.4952 0.5054 0.7150 0.7168 1.5316 1.5352 2.2434 2.2569 2.5309 2.5402 2.7417 2.7494 12.4958 12.5062 12.7124 12.7159 12.9076 12.9113 14.1062 14.1240 k = 0.0000 0.0000 0.5616 ( 2336 PWs) bands (ev): -17.7667 -17.7666 -16.2345 -16.2342 -15.1919 -15.1903 -15.0749 -15.0731 -6.6080 -6.6078 -5.3046 -5.3026 -3.3748 -3.3668 -3.0664 -3.0569 -0.8603 -0.8495 -0.0743 -0.0611 0.4744 0.4848 0.6975 0.6997 1.5561 1.5595 2.2526 2.2654 2.5344 2.5432 2.7405 2.7481 12.5259 12.5362 12.7530 12.7557 12.9074 12.9115 14.1036 14.1209 k = 0.0000 0.0000 0.5760 ( 2336 PWs) bands (ev): -17.7389 -17.7388 -16.2705 -16.2702 -15.1933 -15.1918 -15.0792 -15.0775 -6.5500 -6.5497 -5.3482 -5.3463 -3.3466 -3.3385 -3.0619 -3.0524 -0.8509 -0.8400 -0.1202 -0.1067 0.4567 0.4671 0.6791 0.6816 1.5810 1.5841 2.2584 2.2704 2.5402 2.5483 2.7386 2.7461 12.5543 12.5642 12.7896 12.7916 12.9100 12.9145 14.0962 14.1129 k = 0.0000 0.0000 0.5904 ( 2336 PWs) bands (ev): -17.7119 -17.7118 -16.3049 -16.3047 -15.1946 -15.1932 -15.0832 -15.0817 -6.4921 -6.4919 -5.3927 -5.3909 -3.3195 -3.3113 -3.0589 -3.0494 -0.8391 -0.8280 -0.1659 -0.1522 0.4421 0.4524 0.6601 0.6629 1.6058 1.6087 2.2610 2.2720 2.5482 2.5553 2.7359 2.7433 12.5808 12.5902 12.8218 12.8233 12.9153 12.9200 14.0842 14.1001 k = 0.0000 0.0000 0.6048 ( 2336 PWs) bands (ev): -17.6861 -17.6860 -16.3376 -16.3374 -15.1958 -15.1944 -15.0869 -15.0855 -6.4346 -6.4343 -5.4378 -5.4362 -3.2936 -3.2853 -3.0574 -3.0479 -0.8248 -0.8135 -0.2114 -0.1976 0.4306 0.4408 0.6407 0.6438 1.6302 1.6329 2.2608 2.2706 2.5580 2.5642 2.7326 2.7399 12.6052 12.6140 12.8498 12.8508 12.9231 12.9280 14.0682 14.0831 k = 0.0000 0.0000 0.6192 ( 2336 PWs) bands (ev): -17.6616 -17.6615 -16.3683 -16.3681 -15.1968 -15.1955 -15.0903 -15.0890 -6.3775 -6.3772 -5.4837 -5.4821 -3.2689 -3.2605 -3.0574 -3.0479 -0.8080 -0.7965 -0.2565 -0.2427 0.4222 0.4321 0.6213 0.6247 1.6539 1.6563 2.2582 2.2668 2.5692 2.5745 2.7286 2.7357 12.6275 12.6355 12.8735 12.8741 12.9332 12.9382 14.0491 14.0629 k = 0.0000 0.0000 0.6336 ( 2336 PWs) bands (ev): -17.6388 -17.6387 -16.3966 -16.3964 -15.1976 -15.1965 -15.0934 -15.0922 -6.3210 -6.3207 -5.5300 -5.5286 -3.2455 -3.2371 -3.0588 -3.0495 -0.7887 -0.7770 -0.3010 -0.2873 0.4167 0.4261 0.6020 0.6057 1.6764 1.6786 2.2537 2.2611 2.5813 2.5860 2.7237 2.7307 12.6475 12.6546 12.8928 12.8936 12.9453 12.9502 14.0279 14.0406 k = 0.0000 0.0000 0.6480 ( 2336 PWs) bands (ev): -17.6180 -17.6179 -16.4222 -16.4220 -15.1983 -15.1973 -15.0960 -15.0949 -6.2654 -6.2650 -5.5768 -5.5754 -3.2236 -3.2151 -3.0617 -3.0525 -0.7669 -0.7551 -0.3449 -0.3312 0.4139 0.4228 0.5833 0.5872 1.6974 1.6994 2.2481 2.2543 2.5940 2.5982 2.7182 2.7249 12.6650 12.6711 12.9081 12.9094 12.9587 12.9635 14.0058 14.0172 k = 0.0000 0.0000 0.6624 ( 2336 PWs) bands (ev): -17.5995 -17.5995 -16.4447 -16.4445 -15.1989 -15.1980 -15.0983 -15.0974 -6.2111 -6.2107 -5.6235 -5.6222 -3.2030 -3.1946 -3.0660 -3.0569 -0.7428 -0.7309 -0.3880 -0.3744 0.4135 0.4217 0.5655 0.5696 1.7163 1.7181 2.2419 2.2470 2.6068 2.6108 2.7118 2.7183 12.6800 12.6852 12.9200 12.9216 12.9726 12.9772 13.9843 13.9941 k = 0.0000 0.0000 0.6768 ( 2336 PWs) bands (ev): -17.5838 -17.5837 -16.4637 -16.4636 -15.1993 -15.1986 -15.1001 -15.0994 -6.1587 -6.1583 -5.6696 -5.6685 -3.1841 -3.1758 -3.0715 -3.0626 -0.7164 -0.7043 -0.4300 -0.4166 0.4151 0.4226 0.5491 0.5532 1.7329 1.7343 2.2358 2.2399 2.6195 2.6235 2.7047 2.7109 12.6925 12.6967 12.9291 12.9307 12.9861 12.9903 13.9645 13.9727 k = 0.0000 0.0000 0.6912 ( 2340 PWs) bands (ev): -17.5711 -17.5711 -16.4790 -16.4789 -15.1996 -15.1991 -15.1015 -15.1010 -6.1094 -6.1089 -5.7140 -5.7130 -3.1669 -3.1589 -3.0779 -3.0696 -0.6879 -0.6758 -0.4707 -0.4575 0.4183 0.4247 0.5348 0.5385 1.7464 1.7476 2.2304 2.2334 2.6319 2.6359 2.6969 2.7028 12.7024 12.7056 12.9356 12.9370 12.9982 13.0016 13.9478 13.9541 k = 0.0000 0.0000 0.7056 ( 2336 PWs) bands (ev): -17.5618 -17.5618 -16.4901 -16.4901 -15.1998 -15.1995 -15.1025 -15.1022 -6.0655 -6.0651 -5.7542 -5.7535 -3.1519 -3.1447 -3.0847 -3.0773 -0.6576 -0.6455 -0.5096 -0.4968 0.4224 0.4272 0.5234 0.5264 1.7566 1.7574 2.2262 2.2282 2.6437 2.6478 2.6886 2.6940 12.7096 12.7118 12.9401 12.9412 13.0079 13.0103 13.9353 13.9396 k = 0.0000 0.0000 0.7200 ( 2336 PWs) bands (ev): -17.5561 -17.5561 -16.4969 -16.4969 -15.1999 -15.1997 -15.1031 -15.1029 -6.0324 -6.0321 -5.7850 -5.7846 -3.1398 -3.1350 -3.0900 -3.0850 -0.6263 -0.6150 -0.5451 -0.5336 0.4263 0.4290 0.5161 0.5179 1.7629 1.7633 2.2237 2.2247 2.6545 2.6583 2.6804 2.6849 12.7143 12.7154 12.9428 12.9434 13.0143 13.0156 13.9279 13.9300 k = 0.0000 0.0000 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4992 -16.4992 -15.1999 -15.1999 -15.1032 -15.1032 -6.0191 -6.0191 -5.7972 -5.7972 -3.1331 -3.1331 -3.0903 -3.0903 -0.6007 -0.6007 -0.5611 -0.5611 0.4287 0.4287 0.5142 0.5142 1.7652 1.7652 2.2232 2.2232 2.6621 2.6621 2.6777 2.6777 12.7162 12.7162 12.9439 12.9439 13.0170 13.0170 13.9260 13.9260 k = 0.0000 0.0000 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4992 -16.4992 -15.1999 -15.1999 -15.1032 -15.1032 -6.0191 -6.0191 -5.7972 -5.7972 -3.1331 -3.1331 -3.0903 -3.0903 -0.6007 -0.6007 -0.5611 -0.5611 0.4287 0.4287 0.5142 0.5142 1.7652 1.7652 2.2232 2.2232 2.6621 2.6621 2.6777 2.6777 12.7162 12.7162 12.9439 12.9439 13.0170 13.0170 13.9260 13.9260 k =-0.0098 0.0106 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4992 -16.4990 -15.1999 -15.1999 -15.1035 -15.1032 -6.0186 -6.0185 -5.7968 -5.7963 -3.1340 -3.1329 -3.0912 -3.0903 -0.6032 -0.5999 -0.5624 -0.5591 0.4284 0.4293 0.5142 0.5147 1.7652 1.7654 2.2235 2.2238 2.6560 2.6597 2.6782 2.6824 12.7155 12.7165 12.9434 12.9442 13.0159 13.0172 13.9257 13.9263 k =-0.0196 0.0211 0.7344 ( 2340 PWs) bands (ev): -17.5543 -17.5543 -16.4992 -16.4987 -15.2000 -15.2000 -15.1041 -15.1035 -6.0167 -6.0166 -5.7951 -5.7942 -3.1356 -3.1334 -3.0930 -3.0911 -0.6070 -0.6008 -0.5631 -0.5570 0.4284 0.4301 0.5146 0.5157 1.7654 1.7658 2.2249 2.2253 2.6462 2.6506 2.6821 2.6875 12.7143 12.7163 12.9429 12.9443 13.0140 13.0166 13.9252 13.9264 k =-0.0295 0.0317 0.7344 ( 2342 PWs) bands (ev): -17.5544 -17.5543 -16.4989 -16.4983 -15.2002 -15.2002 -15.1049 -15.1039 -6.0137 -6.0134 -5.7923 -5.7909 -3.1380 -3.1347 -3.0955 -3.0927 -0.6119 -0.6035 -0.5630 -0.5548 0.4286 0.4312 0.5156 0.5171 1.7657 1.7664 2.2271 2.2278 2.6343 2.6386 2.6857 2.6915 12.7127 12.7156 12.9423 12.9443 13.0115 13.0152 13.9246 13.9264 k =-0.0393 0.0423 0.7344 ( 2338 PWs) bands (ev): -17.5545 -17.5544 -16.4986 -16.4977 -15.2005 -15.2004 -15.1059 -15.1047 -6.0094 -6.0090 -5.7882 -5.7864 -3.1410 -3.1367 -3.0988 -3.0952 -0.6175 -0.6077 -0.5624 -0.5527 0.4292 0.4325 0.5169 0.5189 1.7662 1.7670 2.2304 2.2312 2.6205 2.6247 2.6881 2.6943 12.7104 12.7143 12.9416 12.9440 13.0085 13.0134 13.9238 13.9261 k =-0.0491 0.0528 0.7344 ( 2338 PWs) bands (ev): -17.5546 -17.5546 -16.4982 -16.4971 -15.2008 -15.2007 -15.1072 -15.1057 -6.0039 -6.0035 -5.7830 -5.7808 -3.1448 -3.1395 -3.1029 -3.0984 -0.6238 -0.6129 -0.5616 -0.5510 0.4300 0.4341 0.5187 0.5212 1.7667 1.7678 2.2344 2.2354 2.6051 2.6089 2.6892 2.6956 12.7075 12.7122 12.9406 12.9432 13.0054 13.0114 13.9226 13.9254 k =-0.0589 0.0634 0.7344 ( 2346 PWs) bands (ev): -17.5548 -17.5547 -16.4976 -16.4963 -15.2012 -15.2011 -15.1088 -15.1069 -5.9972 -5.9967 -5.7766 -5.7739 -3.1493 -3.1430 -3.1077 -3.1023 -0.6305 -0.6188 -0.5608 -0.5495 0.4310 0.4359 0.5207 0.5237 1.7672 1.7685 2.2393 2.2403 2.5880 2.5914 2.6891 2.6957 12.7037 12.7091 12.9392 12.9416 13.0028 13.0098 13.9209 13.9242 k =-0.0687 0.0739 0.7344 ( 2346 PWs) bands (ev): -17.5550 -17.5549 -16.4969 -16.4954 -15.2017 -15.2015 -15.1105 -15.1084 -5.9895 -5.9889 -5.7691 -5.7660 -3.1544 -3.1472 -3.1131 -3.1070 -0.6375 -0.6253 -0.5601 -0.5483 0.4323 0.4378 0.5231 0.5264 1.7677 1.7692 2.2449 2.2459 2.5694 2.5724 2.6877 2.6946 12.6990 12.7050 12.9369 12.9388 13.0014 13.0092 13.9186 13.9223 k =-0.0785 0.0845 0.7344 ( 2338 PWs) bands (ev): -17.5552 -17.5551 -16.4961 -16.4944 -15.2022 -15.2020 -15.1125 -15.1101 -5.9806 -5.9799 -5.7604 -5.7569 -3.1602 -3.1522 -3.1192 -3.1123 -0.6447 -0.6321 -0.5596 -0.5474 0.4339 0.4400 0.5256 0.5293 1.7681 1.7698 2.2510 2.2519 2.5493 2.5518 2.6852 2.6923 12.6933 12.6998 12.9330 12.9343 13.0019 13.0104 13.9156 13.9197 k =-0.0884 0.0951 0.7344 ( 2330 PWs) bands (ev): -17.5554 -17.5554 -16.4952 -16.4933 -15.2027 -15.2025 -15.1147 -15.1120 -5.9707 -5.9700 -5.7508 -5.7468 -3.1667 -3.1578 -3.1257 -3.1183 -0.6519 -0.6390 -0.5591 -0.5466 0.4357 0.4423 0.5283 0.5323 1.7682 1.7700 2.2575 2.2582 2.5281 2.5300 2.6816 2.6890 12.6866 12.6934 12.9268 12.9285 13.0049 13.0138 13.9117 13.9162 k =-0.0982 0.1056 0.7344 ( 2330 PWs) bands (ev): -17.5557 -17.5557 -16.4942 -16.4921 -15.2033 -15.2031 -15.1171 -15.1141 -5.9599 -5.9590 -5.7401 -5.7358 -3.1737 -3.1642 -3.1327 -3.1248 -0.6591 -0.6460 -0.5587 -0.5461 0.4376 0.4448 0.5310 0.5354 1.7678 1.7699 2.2639 2.2644 2.5061 2.5071 2.6772 2.6849 12.6789 12.6858 12.9182 12.9210 13.0105 13.0196 13.9068 13.9116 k =-0.1080 0.1162 0.7344 ( 2322 PWs) bands (ev): -17.5560 -17.5560 -16.4931 -16.4908 -15.2039 -15.2037 -15.1196 -15.1164 -5.9481 -5.9472 -5.7286 -5.7238 -3.1813 -3.1713 -3.1400 -3.1317 -0.6661 -0.6528 -0.5583 -0.5455 0.4398 0.4473 0.5337 0.5384 1.7670 1.7693 2.2694 2.2704 2.4833 2.4840 2.6721 2.6800 12.6703 12.6773 12.9079 12.9117 13.0185 13.0277 13.9008 13.9059 k =-0.1178 0.1268 0.7344 ( 2326 PWs) bands (ev): -17.5564 -17.5563 -16.4919 -16.4894 -15.2046 -15.2043 -15.1223 -15.1189 -5.9355 -5.9345 -5.7161 -5.7110 -3.1894 -3.1791 -3.1476 -3.1392 -0.6728 -0.6594 -0.5579 -0.5449 0.4420 0.4499 0.5364 0.5413 1.7654 1.7679 2.2731 2.2753 2.4602 2.4621 2.6663 2.6745 12.6609 12.6679 12.8961 12.9010 13.0286 13.0379 13.8935 13.8988 k =-0.1276 0.1373 0.7344 ( 2322 PWs) bands (ev): -17.5568 -17.5567 -16.4906 -16.4880 -15.2052 -15.2049 -15.1252 -15.1215 -5.9221 -5.9211 -5.7029 -5.6974 -3.1979 -3.1874 -3.1555 -3.1470 -0.6792 -0.6656 -0.5573 -0.5443 0.4444 0.4526 0.5389 0.5441 1.7630 1.7657 2.2736 2.2775 2.4385 2.4424 2.6602 2.6687 12.6509 12.6578 12.8832 12.8889 13.0407 13.0499 13.8849 13.8905 k =-0.1375 0.1479 0.7344 ( 2326 PWs) bands (ev): -17.5572 -17.5571 -16.4893 -16.4865 -15.2059 -15.2056 -15.1282 -15.1243 -5.9081 -5.9070 -5.6889 -5.6830 -3.2069 -3.1963 -3.1635 -3.1551 -0.6850 -0.6714 -0.5564 -0.5434 0.4467 0.4553 0.5413 0.5466 1.7595 1.7625 2.2690 2.2748 2.4206 2.4267 2.6539 2.6626 12.6405 12.6472 12.8693 12.8757 13.0543 13.0634 13.8749 13.8807 k =-0.1473 0.1584 0.7344 ( 2328 PWs) bands (ev): -17.5577 -17.5576 -16.4879 -16.4849 -15.2065 -15.2062 -15.1313 -15.1272 -5.8934 -5.8922 -5.6743 -5.6681 -3.2161 -3.2057 -3.1717 -3.1635 -0.6903 -0.6766 -0.5553 -0.5421 0.4492 0.4579 0.5434 0.5489 1.7548 1.7580 2.2571 2.2648 2.4090 2.4171 2.6475 2.6565 12.6298 12.6363 12.8547 12.8617 13.0692 13.0782 13.8634 13.8694 k =-0.1571 0.1690 0.7344 ( 2322 PWs) bands (ev): -17.5582 -17.5581 -16.4864 -16.4833 -15.2072 -15.2069 -15.1345 -15.1302 -5.8783 -5.8770 -5.6591 -5.6525 -3.2256 -3.2153 -3.1800 -3.1720 -0.6949 -0.6811 -0.5537 -0.5405 0.4516 0.4605 0.5453 0.5510 1.7486 1.7520 2.2373 2.2460 2.4050 2.4143 2.6413 2.6505 12.6191 12.6254 12.8395 12.8472 13.0853 13.0940 13.8506 13.8567 k =-0.1669 0.1796 0.7344 ( 2314 PWs) bands (ev): -17.5587 -17.5586 -16.4849 -16.4817 -15.2078 -15.2075 -15.1378 -15.1334 -5.8627 -5.8614 -5.6434 -5.6365 -3.2353 -3.2252 -3.1884 -3.1808 -0.6987 -0.6848 -0.5515 -0.5384 0.4539 0.4630 0.5470 0.5527 1.7408 1.7444 2.2107 2.2196 2.4076 2.4172 2.6355 2.6449 12.6084 12.6146 12.8241 12.8322 13.1021 13.1107 13.8363 13.8425 k =-0.1767 0.1901 0.7344 ( 2318 PWs) bands (ev): -17.5593 -17.5592 -16.4834 -16.4800 -15.2085 -15.2081 -15.1411 -15.1365 -5.8468 -5.8454 -5.6273 -5.6201 -3.2450 -3.2352 -3.1968 -3.1896 -0.7016 -0.6877 -0.5488 -0.5356 0.4562 0.4654 0.5483 0.5541 1.7311 1.7350 2.1788 2.1875 2.4146 2.4242 2.6302 2.6399 12.5981 12.6041 12.8084 12.8169 13.1194 13.1278 13.8205 13.8269 k =-0.1865 0.2007 0.7344 ( 2318 PWs) bands (ev): -17.5599 -17.5598 -16.4818 -16.4783 -15.2090 -15.2087 -15.1445 -15.1398 -5.8307 -5.8292 -5.6109 -5.6034 -3.2547 -3.2453 -3.2052 -3.1984 -0.7036 -0.6897 -0.5454 -0.5322 0.4583 0.4676 0.5493 0.5551 1.7194 1.7235 2.1430 2.1514 2.4245 2.4339 2.6256 2.6355 12.5883 12.5941 12.7928 12.8016 13.1370 13.1452 13.8034 13.8099 k =-0.1964 0.2113 0.7344 ( 2316 PWs) bands (ev): -17.5606 -17.5605 -16.4802 -16.4766 -15.2096 -15.2092 -15.1479 -15.1431 -5.8145 -5.8129 -5.5942 -5.5865 -3.2643 -3.2552 -3.2136 -3.2072 -0.7046 -0.6906 -0.5412 -0.5280 0.4603 0.4697 0.5500 0.5558 1.7056 1.7099 2.1042 2.1123 2.4363 2.4454 2.6220 2.6320 12.5791 12.5847 12.7773 12.7864 13.1546 13.1626 13.7849 13.7915 k =-0.2062 0.2218 0.7344 ( 2312 PWs) bands (ev): -17.5613 -17.5612 -16.4786 -16.4749 -15.2101 -15.2097 -15.1513 -15.1464 -5.7982 -5.7966 -5.5774 -5.5694 -3.2736 -3.2650 -3.2219 -3.2159 -0.7045 -0.6905 -0.5361 -0.5229 0.4622 0.4715 0.5504 0.5562 1.6895 1.6940 2.0631 2.0708 2.4494 2.4582 2.6193 2.6294 12.5707 12.5761 12.7621 12.7715 13.1720 13.1798 13.7651 13.7718 k =-0.2160 0.2324 0.7344 ( 2314 PWs) bands (ev): -17.5620 -17.5619 -16.4770 -16.4733 -15.2106 -15.2102 -15.1548 -15.1497 -5.7820 -5.7804 -5.5605 -5.5524 -3.2827 -3.2744 -3.2301 -3.2245 -0.7032 -0.6892 -0.5301 -0.5169 0.4638 0.4732 0.5504 0.5561 1.6710 1.6757 2.0200 2.0274 2.4633 2.4718 2.6178 2.6279 12.5632 12.5685 12.7475 12.7571 13.1889 13.1965 13.7441 13.7509 k =-0.2160 0.2324 0.7344 ( 2314 PWs) bands (ev): -17.5620 -17.5619 -16.4770 -16.4733 -15.2106 -15.2102 -15.1548 -15.1497 -5.7820 -5.7804 -5.5605 -5.5524 -3.2827 -3.2744 -3.2301 -3.2245 -0.7032 -0.6892 -0.5301 -0.5169 0.4638 0.4732 0.5504 0.5561 1.6710 1.6757 2.0200 2.0274 2.4633 2.4718 2.6178 2.6279 12.5632 12.5685 12.7475 12.7571 13.1889 13.1965 13.7441 13.7509 k =-0.2228 0.2397 0.7245 ( 2321 PWs) bands (ev): -17.5630 -17.5629 -16.4754 -16.4716 -15.2086 -15.2082 -15.1591 -15.1541 -5.7799 -5.7783 -5.5393 -5.5311 -3.2856 -3.2808 -3.2378 -3.2343 -0.7138 -0.7002 -0.5118 -0.4986 0.4776 0.4857 0.5374 0.5431 1.6508 1.6556 1.9970 2.0044 2.4749 2.4839 2.6142 2.6246 12.5562 12.5617 12.7264 12.7355 13.2022 13.2096 13.7404 13.7478 k =-0.2295 0.2469 0.7145 ( 2323 PWs) bands (ev): -17.5649 -17.5648 -16.4728 -16.4690 -15.2065 -15.2060 -15.1634 -15.1584 -5.7866 -5.7848 -5.5096 -5.5016 -3.2969 -3.2932 -3.2413 -3.2354 -0.7245 -0.7114 -0.4913 -0.4783 0.4900 0.4955 0.5266 0.5338 1.6298 1.6348 1.9731 1.9803 2.4856 2.4951 2.6116 2.6223 12.5445 12.5505 12.7089 12.7175 13.2163 13.2234 13.7382 13.7461 k =-0.2363 0.2542 0.7046 ( 2321 PWs) bands (ev): -17.5676 -17.5675 -16.4693 -16.4655 -15.2042 -15.2037 -15.1675 -15.1626 -5.7989 -5.7967 -5.4749 -5.4671 -3.3143 -3.3095 -3.2405 -3.2323 -0.7348 -0.7222 -0.4692 -0.4565 0.4917 0.4972 0.5248 0.5358 1.6083 1.6135 1.9482 1.9553 2.4950 2.5051 2.6101 2.6211 12.5282 12.5348 12.6955 12.7035 13.2310 13.2378 13.7373 13.7456 k =-0.2430 0.2615 0.6947 ( 2315 PWs) bands (ev): -17.5709 -17.5709 -16.4650 -16.4612 -15.2018 -15.2012 -15.1715 -15.1666 -5.8142 -5.8118 -5.4375 -5.4299 -3.3339 -3.3285 -3.2372 -3.2279 -0.7446 -0.7326 -0.4460 -0.4337 0.4815 0.4874 0.5370 0.5486 1.5866 1.5919 1.9225 1.9296 2.5028 2.5135 2.6099 2.6211 12.5081 12.5153 12.6858 12.6934 13.2460 13.2525 13.7374 13.7460 k =-0.2498 0.2688 0.6847 ( 2317 PWs) bands (ev): -17.5748 -17.5748 -16.4602 -16.4564 -15.1994 -15.1986 -15.1754 -15.1706 -5.8311 -5.8285 -5.3990 -5.3915 -3.3545 -3.3489 -3.2330 -3.2231 -0.7536 -0.7422 -0.4219 -0.4099 0.4677 0.4732 0.5542 0.5653 1.5649 1.5702 1.8963 1.9033 2.5090 2.5202 2.6110 2.6223 12.4855 12.4932 12.6790 12.6863 13.2612 13.2674 13.7383 13.7471 k =-0.2566 0.2760 0.6748 ( 2321 PWs) bands (ev): -17.5791 -17.5791 -16.4550 -16.4511 -15.1970 -15.1959 -15.1789 -15.1743 -5.8487 -5.8459 -5.3604 -5.3530 -3.3756 -3.3700 -3.2284 -3.2181 -0.7619 -0.7510 -0.3971 -0.3854 0.4525 0.4577 0.5731 0.5838 1.5435 1.5488 1.8695 1.8766 2.5136 2.5251 2.6136 2.6247 12.4615 12.4695 12.6743 12.6815 13.2764 13.2822 13.7397 13.7487 k =-0.2633 0.2833 0.6649 ( 2323 PWs) bands (ev): -17.5837 -17.5837 -16.4494 -16.4456 -15.1950 -15.1933 -15.1819 -15.1778 -5.8664 -5.8635 -5.3222 -5.3149 -3.3969 -3.3915 -3.2237 -3.2131 -0.7694 -0.7590 -0.3716 -0.3604 0.4365 0.4414 0.5929 0.6032 1.5226 1.5279 1.8424 1.8495 2.5167 2.5283 2.6173 2.6279 12.4370 12.4454 12.6711 12.6784 13.2914 13.2969 13.7414 13.7504 k =-0.2701 0.2906 0.6549 ( 2327 PWs) bands (ev): -17.5885 -17.5884 -16.4437 -16.4399 -15.1941 -15.1909 -15.1839 -15.1804 -5.8838 -5.8808 -5.2849 -5.2777 -3.4182 -3.4130 -3.2191 -3.2082 -0.7761 -0.7661 -0.3458 -0.3350 0.4199 0.4244 0.6132 0.6233 1.5024 1.5077 1.8151 1.8222 2.5185 2.5301 2.6218 2.6319 12.4128 12.4214 12.6690 12.6764 13.3062 13.3114 13.7430 13.7521 k =-0.2769 0.2979 0.6450 ( 2325 PWs) bands (ev): -17.5933 -17.5933 -16.4380 -16.4341 -15.1950 -15.1899 -15.1844 -15.1810 -5.9007 -5.8976 -5.2489 -5.2417 -3.4391 -3.4342 -3.2145 -3.2035 -0.7820 -0.7724 -0.3197 -0.3094 0.4027 0.4068 0.6340 0.6439 1.4832 1.4884 1.7877 1.7948 2.5194 2.5308 2.6269 2.6362 12.3896 12.3983 12.6678 12.6753 13.3206 13.3255 13.7444 13.7534 k =-0.2836 0.3051 0.6351 ( 2326 PWs) bands (ev): -17.5981 -17.5980 -16.4323 -16.4285 -15.1973 -15.1916 -15.1827 -15.1795 -5.9168 -5.9136 -5.2145 -5.2074 -3.4595 -3.4550 -3.2102 -3.1990 -0.7871 -0.7779 -0.2936 -0.2837 0.3850 0.3887 0.6549 0.6646 1.4652 1.4704 1.7604 1.7676 2.5196 2.5307 2.6322 2.6407 12.3675 12.3763 12.6672 12.6749 13.3346 13.3392 13.7452 13.7541 k =-0.2904 0.3124 0.6252 ( 2328 PWs) bands (ev): -17.6027 -17.6027 -16.4268 -16.4230 -15.2000 -15.1944 -15.1801 -15.1771 -5.9319 -5.9287 -5.1819 -5.1749 -3.4793 -3.4752 -3.2060 -3.1947 -0.7914 -0.7826 -0.2676 -0.2581 0.3668 0.3701 0.6757 0.6853 1.4487 1.4537 1.7333 1.7406 2.5192 2.5301 2.6374 2.6451 12.3470 12.3559 12.6672 12.6750 13.3482 13.3525 13.7453 13.7541 k =-0.2971 0.3197 0.6152 ( 2326 PWs) bands (ev): -17.6072 -17.6071 -16.4215 -16.4178 -15.2029 -15.1974 -15.1773 -15.1743 -5.9459 -5.9427 -5.1515 -5.1446 -3.4980 -3.4944 -3.2021 -3.1908 -0.7949 -0.7864 -0.2419 -0.2329 0.3483 0.3510 0.6964 0.7058 1.4337 1.4386 1.7067 1.7141 2.5186 2.5291 2.6424 2.6493 12.3283 12.3372 12.6677 12.6757 13.3612 13.3652 13.7444 13.7531 k =-0.3039 0.3269 0.6053 ( 2326 PWs) bands (ev): -17.6113 -17.6113 -16.4166 -16.4129 -15.2057 -15.2003 -15.1745 -15.1715 -5.9587 -5.9555 -5.1236 -5.1168 -3.5155 -3.5125 -3.1984 -3.1871 -0.7977 -0.7895 -0.2168 -0.2084 0.3295 0.3316 0.7166 0.7259 1.4206 1.4254 1.6807 1.6882 2.5177 2.5279 2.6471 2.6531 12.3115 12.3205 12.6686 12.6768 13.3737 13.3775 13.7424 13.7509 k =-0.3107 0.3342 0.5954 ( 2324 PWs) bands (ev): -17.6152 -17.6151 -16.4121 -16.4084 -15.2084 -15.2032 -15.1717 -15.1686 -5.9702 -5.9669 -5.0983 -5.0916 -3.5317 -3.5291 -3.1951 -3.1837 -0.7997 -0.7918 -0.1927 -0.1849 0.3106 0.3121 0.7361 0.7453 1.4095 1.4142 1.6556 1.6632 2.5167 2.5266 2.6513 2.6566 12.2969 12.3059 12.6700 12.6783 13.3856 13.3892 13.7391 13.7474 k =-0.3174 0.3415 0.5854 ( 2318 PWs) bands (ev): -17.6186 -17.6185 -16.4081 -16.4044 -15.2110 -15.2060 -15.1691 -15.1658 -5.9802 -5.9769 -5.0760 -5.0694 -3.5461 -3.5441 -3.1921 -3.1806 -0.8010 -0.7934 -0.1700 -0.1629 0.2921 0.2928 0.7547 0.7638 1.4006 1.4052 1.6315 1.6393 2.5157 2.5253 2.6550 2.6597 12.2844 12.2934 12.6717 12.6802 13.3971 13.4005 13.7343 13.7424 k =-0.3242 0.3488 0.5755 ( 2320 PWs) bands (ev): -17.6216 -17.6215 -16.4046 -16.4009 -15.2135 -15.2086 -15.1665 -15.1632 -5.9887 -5.9854 -5.0569 -5.0504 -3.5587 -3.5572 -3.1894 -3.1780 -0.8017 -0.7942 -0.1492 -0.1429 0.2741 0.2742 0.7721 0.7811 1.3940 1.3984 1.6089 1.6168 2.5147 2.5239 2.6583 2.6623 12.2743 12.2832 12.6739 12.6824 13.4080 13.4112 13.7279 13.7358 k =-0.3310 0.3560 0.5656 ( 2320 PWs) bands (ev): -17.6240 -17.6240 -16.4016 -16.3979 -15.2158 -15.2111 -15.1642 -15.1607 -5.9957 -5.9924 -5.0412 -5.0348 -3.5692 -3.5680 -3.1870 -3.1756 -0.8016 -0.7944 -0.1310 -0.1256 0.2565 0.2577 0.7879 0.7968 1.3897 1.3941 1.5879 1.5961 2.5137 2.5227 2.6611 2.6645 12.2665 12.2754 12.6763 12.6850 13.4184 13.4215 13.7199 13.7275 k =-0.3377 0.3633 0.5556 ( 2316 PWs) bands (ev): -17.6260 -17.6260 -16.3993 -16.3956 -15.2180 -15.2134 -15.1620 -15.1583 -6.0010 -5.9977 -5.0291 -5.0228 -3.5777 -3.5764 -3.1851 -3.1737 -0.8009 -0.7938 -0.1162 -0.1119 0.2410 0.2434 0.8020 0.8107 1.3879 1.3923 1.5689 1.5773 2.5128 2.5215 2.6634 2.6663 12.2610 12.2699 12.6792 12.6880 13.4284 13.4314 13.7100 13.7174 k =-0.3445 0.3706 0.5457 ( 2307 PWs) bands (ev): -17.6274 -17.6274 -16.3975 -16.3939 -15.2199 -15.2155 -15.1600 -15.1562 -6.0047 -6.0014 -5.0208 -5.0146 -3.5839 -3.5822 -3.1835 -3.1721 -0.7995 -0.7926 -0.1058 -0.1027 0.2283 0.2321 0.8138 0.8224 1.3886 1.3930 1.5522 1.5609 2.5120 2.5204 2.6652 2.6677 12.2580 12.2669 12.6823 12.6912 13.4380 13.4409 13.6984 13.7056 k =-0.3512 0.3779 0.5358 ( 2315 PWs) bands (ev): -17.6283 -17.6283 -16.3965 -16.3928 -15.2217 -15.2175 -15.1582 -15.1542 -6.0067 -6.0033 -5.0164 -5.0102 -3.5877 -3.5854 -3.1823 -3.1710 -0.7975 -0.7907 -0.1010 -0.0987 0.2195 0.2247 0.8232 0.8316 1.3917 1.3962 1.5382 1.5471 2.5112 2.5194 2.6665 2.6687 12.2574 12.2661 12.6857 12.6947 13.4473 13.4501 13.6848 13.6918 k =-0.3580 0.3851 0.5258 ( 2317 PWs) bands (ev): -17.6286 -17.6286 -16.3960 -16.3924 -15.2234 -15.2193 -15.1566 -15.1525 -6.0070 -6.0036 -5.0159 -5.0097 -3.5890 -3.5859 -3.1815 -3.1702 -0.7949 -0.7881 -0.1024 -0.1005 0.2151 0.2217 0.8299 0.8381 1.3973 1.4019 1.5272 1.5364 2.5106 2.5185 2.6673 2.6694 12.2591 12.2678 12.6894 12.6985 13.4562 13.4590 13.6694 13.6762 k =-0.3580 0.3851 0.5258 ( 2317 PWs) bands (ev): -17.6286 -17.6286 -16.3960 -16.3924 -15.2234 -15.2193 -15.1566 -15.1525 -6.0070 -6.0036 -5.0159 -5.0097 -3.5890 -3.5859 -3.1815 -3.1702 -0.7949 -0.7881 -0.1024 -0.1005 0.2151 0.2217 0.8299 0.8381 1.3973 1.4019 1.5272 1.5364 2.5106 2.5185 2.6673 2.6694 12.2591 12.2678 12.6894 12.6985 13.4562 13.4590 13.6694 13.6762 k =-0.3511 0.3777 0.5157 ( 2317 PWs) bands (ev): -17.6387 -17.6387 -16.3845 -16.3807 -15.2230 -15.2188 -15.1517 -15.1475 -6.0539 -6.0505 -4.9870 -4.9807 -3.6116 -3.6084 -3.1731 -3.1617 -0.8120 -0.8052 -0.1178 -0.1161 0.2419 0.2482 0.8387 0.8471 1.4236 1.4280 1.5819 1.5908 2.4856 2.4937 2.6593 2.6613 12.2262 12.2352 12.6934 12.7025 13.4851 13.4877 13.6985 13.7054 k =-0.3442 0.3703 0.5056 ( 2317 PWs) bands (ev): -17.6500 -17.6500 -16.3715 -16.3677 -15.2224 -15.2182 -15.1467 -15.1423 -6.1020 -6.0986 -4.9579 -4.9516 -3.6347 -3.6314 -3.1652 -3.1537 -0.8268 -0.8200 -0.1311 -0.1296 0.2695 0.2756 0.8476 0.8561 1.4472 1.4515 1.6362 1.6449 2.4600 2.4683 2.6514 2.6534 12.1941 12.2032 12.6981 12.7071 13.5127 13.5152 13.7258 13.7329 k =-0.3373 0.3629 0.4955 ( 2315 PWs) bands (ev): -17.6626 -17.6625 -16.3570 -16.3531 -15.2215 -15.2173 -15.1415 -15.1369 -6.1511 -6.1477 -4.9289 -4.9225 -3.6582 -3.6547 -3.1579 -3.1462 -0.8395 -0.8325 -0.1420 -0.1407 0.2979 0.3038 0.8564 0.8652 1.4685 1.4727 1.6895 1.6980 2.4340 2.4425 2.6436 2.6456 12.1627 12.1721 12.7033 12.7122 13.5385 13.5409 13.7512 13.7585 k =-0.3305 0.3555 0.4854 ( 2321 PWs) bands (ev): -17.6762 -17.6762 -16.3410 -16.3371 -15.2205 -15.2162 -15.1361 -15.1314 -6.2013 -6.1979 -4.9001 -4.8936 -3.6820 -3.6784 -3.1512 -3.1394 -0.8499 -0.8429 -0.1506 -0.1495 0.3270 0.3327 0.8652 0.8743 1.4875 1.4918 1.7415 1.7498 2.4079 2.4165 2.6361 2.6381 12.1322 12.1419 12.7089 12.7177 13.5616 13.5641 13.7745 13.7820 k =-0.3236 0.3481 0.4753 ( 2321 PWs) bands (ev): -17.6911 -17.6911 -16.3235 -16.3196 -15.2192 -15.2148 -15.1305 -15.1257 -6.2522 -6.2489 -4.8717 -4.8651 -3.7061 -3.7023 -3.1452 -3.1333 -0.8582 -0.8511 -0.1566 -0.1557 0.3566 0.3622 0.8740 0.8832 1.5042 1.5086 1.7917 1.7999 2.3820 2.3905 2.6289 2.6308 12.1026 12.1127 12.7149 12.7236 13.5813 13.5839 13.7958 13.8034 k =-0.3167 0.3407 0.4652 ( 2325 PWs) bands (ev): -17.7071 -17.7070 -16.3045 -16.3006 -15.2176 -15.2133 -15.1248 -15.1199 -6.3040 -6.3007 -4.8437 -4.8371 -3.7303 -3.7265 -3.1399 -3.1280 -0.8644 -0.8572 -0.1598 -0.1592 0.3868 0.3922 0.8826 0.8920 1.5187 1.5232 1.8398 1.8478 2.3566 2.3651 2.6220 2.6240 12.0741 12.0845 12.7212 12.7297 13.5968 13.5996 13.8148 13.8226 k =-0.3098 0.3333 0.4550 ( 2319 PWs) bands (ev): -17.7242 -17.7241 -16.2840 -16.2801 -15.2159 -15.2115 -15.1190 -15.1140 -6.3563 -6.3531 -4.8163 -4.8096 -3.7547 -3.7507 -3.1355 -3.1235 -0.8687 -0.8613 -0.1602 -0.1598 0.4173 0.4225 0.8910 0.9007 1.5310 1.5356 1.8852 1.8929 2.3323 2.3407 2.6157 2.6176 12.0467 12.0573 12.7278 12.7362 13.6072 13.6102 13.8316 13.8394 k =-0.3029 0.3259 0.4449 ( 2315 PWs) bands (ev): -17.7423 -17.7422 -16.2621 -16.2582 -15.2139 -15.2095 -15.1130 -15.1079 -6.4092 -6.4061 -4.7895 -4.7828 -3.7791 -3.7750 -3.1319 -3.1199 -0.8711 -0.8637 -0.1577 -0.1575 0.4481 0.4532 0.8991 0.9092 1.5409 1.5457 1.9273 1.9345 2.3099 2.3179 2.6099 2.6117 12.0203 12.0312 12.7345 12.7428 13.6116 13.6149 13.8460 13.8539 k =-0.2960 0.3185 0.4348 ( 2323 PWs) bands (ev): -17.7613 -17.7613 -16.2387 -16.2349 -15.2117 -15.2073 -15.1069 -15.1017 -6.4626 -6.4596 -4.7635 -4.7568 -3.8035 -3.7992 -3.1292 -3.1172 -0.8719 -0.8643 -0.1521 -0.1520 0.4791 0.4841 0.9070 0.9173 1.5486 1.5535 1.9651 1.9716 2.2905 2.2979 2.6048 2.6065 11.9950 12.0062 12.7414 12.7495 13.6093 13.6126 13.8581 13.8658 k =-0.2892 0.3111 0.4247 ( 2331 PWs) bands (ev): -17.7813 -17.7812 -16.2140 -16.2102 -15.2094 -15.2050 -15.1008 -15.0955 -6.5163 -6.5134 -4.7383 -4.7316 -3.8278 -3.8234 -3.1274 -3.1155 -0.8711 -0.8634 -0.1433 -0.1431 0.5100 0.5150 0.9146 0.9252 1.5539 1.5591 1.9972 2.0026 2.2757 2.2819 2.6004 2.6020 11.9706 11.9821 12.7484 12.7564 13.5995 13.6029 13.8677 13.8753 k =-0.2823 0.3037 0.4146 ( 2327 PWs) bands (ev): -17.8021 -17.8020 -16.1880 -16.1843 -15.2068 -15.2025 -15.0945 -15.0891 -6.5703 -6.5675 -4.7140 -4.7073 -3.8519 -3.8475 -3.1267 -3.1148 -0.8690 -0.8612 -0.1313 -0.1309 0.5408 0.5458 0.9218 0.9329 1.5571 1.5625 2.0217 2.0254 2.2675 2.2721 2.5969 2.5984 11.9472 11.9588 12.7555 12.7633 13.5816 13.5849 13.8752 13.8825 k =-0.2754 0.2963 0.4045 ( 2323 PWs) bands (ev): -17.8236 -17.8234 -16.1608 -16.1571 -15.2041 -15.1998 -15.0881 -15.0827 -6.6245 -6.6219 -4.6906 -4.6839 -3.8758 -3.8713 -3.1271 -3.1152 -0.8656 -0.8577 -0.1159 -0.1152 0.5713 0.5762 0.9288 0.9402 1.5581 1.5638 2.0367 2.0383 2.2676 2.2700 2.5944 2.5957 11.9245 11.9364 12.7628 12.7704 13.5553 13.5585 13.8806 13.8876 k =-0.2685 0.2889 0.3944 ( 2323 PWs) bands (ev): -17.8457 -17.8456 -16.1324 -16.1287 -15.2013 -15.1970 -15.0817 -15.0763 -6.6789 -6.6763 -4.6681 -4.6615 -3.8995 -3.8949 -3.1285 -3.1167 -0.8611 -0.8531 -0.0970 -0.0962 0.6011 0.6061 0.9355 0.9473 1.5571 1.5631 2.0407 2.0421 2.2760 2.2768 2.5929 2.5941 11.9025 11.9145 12.7702 12.7776 13.5203 13.5234 13.8843 13.8908 k =-0.2616 0.2815 0.3843 ( 2319 PWs) bands (ev): -17.8684 -17.8683 -16.1029 -16.0993 -15.1983 -15.1940 -15.0752 -15.0698 -6.7333 -6.7308 -4.6466 -4.6400 -3.9229 -3.9181 -3.1310 -3.1193 -0.8556 -0.8475 -0.0746 -0.0737 0.6300 0.6352 0.9420 0.9544 1.5543 1.5605 2.0353 2.0384 2.2898 2.2918 2.5926 2.5936 11.8809 11.8930 12.7778 12.7850 13.4769 13.4798 13.8864 13.8926 k =-0.2547 0.2740 0.3742 ( 2327 PWs) bands (ev): -17.8916 -17.8914 -16.0725 -16.0688 -15.1952 -15.1909 -15.0686 -15.0632 -6.7876 -6.7853 -4.6261 -4.6195 -3.9458 -3.9410 -3.1348 -3.1231 -0.8493 -0.8412 -0.0489 -0.0478 0.6575 0.6630 0.9487 0.9616 1.5498 1.5562 2.0241 2.0285 2.3078 2.3109 2.5936 2.5944 11.8595 11.8717 12.7855 12.7925 13.4255 13.4285 13.8873 13.8931 k =-0.2478 0.2666 0.3640 ( 2321 PWs) bands (ev): -17.9151 -17.9150 -16.0410 -16.0374 -15.1920 -15.1878 -15.0620 -15.0566 -6.8419 -6.8397 -4.6064 -4.6000 -3.9684 -3.9635 -3.1396 -3.1281 -0.8423 -0.8341 -0.0197 -0.0186 0.6832 0.6890 0.9558 0.9693 1.5439 1.5506 2.0096 2.0148 2.3278 2.3315 2.5959 2.5965 11.8381 11.8504 12.7936 12.8001 13.3671 13.3701 13.8872 13.8928 k =-0.2410 0.2592 0.3539 ( 2323 PWs) bands (ev): -17.9390 -17.9389 -16.0088 -16.0052 -15.1887 -15.1845 -15.0554 -15.0500 -6.8959 -6.8938 -4.5877 -4.5813 -3.9904 -3.9854 -3.1458 -3.1343 -0.8346 -0.8264 0.0127 0.0139 0.7065 0.7126 0.9639 0.9779 1.5370 1.5439 1.9932 1.9989 2.3480 2.3521 2.5994 2.6002 11.8165 11.8286 12.8018 12.8078 13.3026 13.3058 13.8864 13.8916 k =-0.2341 0.2518 0.3438 ( 2327 PWs) bands (ev): -17.9631 -17.9629 -15.9758 -15.9723 -15.1853 -15.1812 -15.0488 -15.0435 -6.9498 -6.9478 -4.5699 -4.5636 -4.0119 -4.0068 -3.1531 -3.1418 -0.8263 -0.8182 0.0482 0.0494 0.7267 0.7330 0.9736 0.9880 1.5292 1.5363 1.9758 1.9818 2.3676 2.3716 2.6041 2.6053 11.7942 11.8062 12.8100 12.8152 13.2335 13.2370 13.8849 13.8899 k =-0.2272 0.2444 0.3337 ( 2335 PWs) bands (ev): -17.9873 -17.9872 -15.9421 -15.9387 -15.1818 -15.1778 -15.0422 -15.0369 -7.0032 -7.0014 -4.5529 -4.5467 -4.0328 -4.0277 -3.1616 -3.1505 -0.8175 -0.8094 0.0867 0.0880 0.7430 0.7494 0.9856 1.0001 1.5210 1.5282 1.9578 1.9639 2.3858 2.3896 2.6101 2.6117 11.7710 11.7828 12.8177 12.8217 13.1616 13.1657 13.8830 13.8878 k =-0.2203 0.2370 0.3236 ( 2327 PWs) bands (ev): -18.0115 -18.0114 -15.9079 -15.9045 -15.1784 -15.1744 -15.0356 -15.0304 -7.0563 -7.0546 -4.5367 -4.5306 -4.0530 -4.0479 -3.1714 -3.1604 -0.8081 -0.8002 0.1281 0.1293 0.7549 0.7613 1.0005 1.0149 1.5126 1.5199 1.9396 1.9458 2.4024 2.4059 2.6171 2.6192 11.7465 11.7580 12.8233 12.8256 13.0896 13.0948 13.8807 13.8854 k =-0.2134 0.2296 0.3135 ( 2327 PWs) bands (ev): -18.0358 -18.0357 -15.8731 -15.8698 -15.1748 -15.1710 -15.0291 -15.0239 -7.1090 -7.1074 -4.5213 -4.5153 -4.0726 -4.0674 -3.1823 -3.1715 -0.7984 -0.7905 0.1719 0.1731 0.7623 0.7683 1.0184 1.0324 1.5042 1.5116 1.9212 1.9274 2.4174 2.4206 2.6248 2.6274 11.7205 11.7316 12.8210 12.8236 13.0228 13.0304 13.8781 13.8826 k =-0.2065 0.2222 0.3034 ( 2327 PWs) bands (ev): -18.0599 -18.0598 -15.8380 -15.8348 -15.1713 -15.1675 -15.0225 -15.0174 -7.1611 -7.1596 -4.5066 -4.5008 -4.0915 -4.0862 -3.1945 -3.1838 -0.7881 -0.7803 0.2181 0.2193 0.7651 0.7706 1.0392 1.0527 1.4961 1.5034 1.9027 1.9089 2.4309 2.4337 2.6331 2.6362 11.6926 11.7031 12.7996 12.8068 12.9724 12.9839 13.8752 13.8796 k =-0.1997 0.2148 0.2933 ( 2327 PWs) bands (ev): -18.0839 -18.0838 -15.8026 -15.7995 -15.1678 -15.1641 -15.0161 -15.0111 -7.2125 -7.2112 -4.4926 -4.4869 -4.1096 -4.1043 -3.2078 -3.1973 -0.7775 -0.7698 0.2664 0.2675 0.7637 0.7687 1.0625 1.0753 1.4884 1.4957 1.8842 1.8903 2.4432 2.4456 2.6415 2.6451 11.6624 11.6723 12.7521 12.7622 12.9510 12.9644 13.8721 13.8764 k =-0.1928 0.2074 0.2831 ( 2327 PWs) bands (ev): -18.1076 -18.1075 -15.7671 -15.7640 -15.1643 -15.1607 -15.0097 -15.0048 -7.2633 -7.2621 -4.4792 -4.4737 -4.1269 -4.1215 -3.2222 -3.2119 -0.7664 -0.7589 0.3165 0.3176 0.7588 0.7631 1.0878 1.0999 1.4813 1.4885 1.8656 1.8716 2.4544 2.4564 2.6498 2.6538 11.6297 11.6389 12.6859 12.6966 12.9527 12.9657 13.8687 13.8729 k =-0.1859 0.2000 0.2730 ( 2341 PWs) bands (ev): -18.1311 -18.1310 -15.7314 -15.7284 -15.1608 -15.1573 -15.0034 -14.9986 -7.3133 -7.3122 -4.4664 -4.4610 -4.1433 -4.1380 -3.2377 -3.2276 -0.7550 -0.7476 0.3682 0.3692 0.7508 0.7546 1.1144 1.1258 1.4747 1.4818 1.8470 1.8529 2.4647 2.4665 2.6577 2.6620 11.5942 11.6026 12.6117 12.6224 12.9660 12.9780 13.8651 13.8692 k =-0.1790 0.1926 0.2629 ( 2333 PWs) bands (ev): -18.1542 -18.1541 -15.6958 -15.6928 -15.1574 -15.1540 -14.9972 -14.9925 -7.3625 -7.3615 -4.4541 -4.4489 -4.1590 -4.1536 -3.2542 -3.2443 -0.7432 -0.7360 0.4211 0.4220 0.7404 0.7438 1.1420 1.1528 1.4688 1.4757 1.8283 1.8341 2.4745 2.4760 2.6649 2.6695 11.5557 11.5633 12.5350 12.5457 12.9855 12.9965 13.8613 13.8653 k =-0.1721 0.1852 0.2528 ( 2335 PWs) bands (ev): -18.1768 -18.1767 -15.6602 -15.6574 -15.1539 -15.1507 -14.9911 -14.9866 -7.4108 -7.4099 -4.4424 -4.4374 -4.1737 -4.1683 -3.2717 -3.2620 -0.7311 -0.7241 0.4750 0.4758 0.7280 0.7311 1.1701 1.1805 1.4636 1.4703 1.8097 1.8153 2.4837 2.4850 2.6713 2.6760 11.5142 11.5209 12.4586 12.4694 13.0090 13.0192 13.8573 13.8612 k =-0.1652 0.1778 0.2427 ( 2339 PWs) bands (ev): -18.1990 -18.1989 -15.6249 -15.6222 -15.1506 -15.1474 -14.9851 -14.9807 -7.4581 -7.4572 -4.4312 -4.4263 -4.1875 -4.1822 -3.2900 -3.2806 -0.7186 -0.7118 0.5296 0.5303 0.7142 0.7170 1.1985 1.2084 1.4590 1.4655 1.7910 1.7965 2.4926 2.4938 2.6767 2.6816 11.4695 11.4754 12.3838 12.3947 13.0356 13.0451 13.8531 13.8569 k =-0.1583 0.1704 0.2326 ( 2335 PWs) bands (ev): -18.2207 -18.2206 -15.5899 -15.5873 -15.1473 -15.1443 -14.9793 -14.9751 -7.5043 -7.5035 -4.4204 -4.4157 -4.2004 -4.1951 -3.3091 -3.3000 -0.7060 -0.6993 0.5847 0.5853 0.6994 0.7018 1.2270 1.2365 1.4550 1.4614 1.7724 1.7778 2.5013 2.5023 2.6810 2.6860 11.4218 11.4268 12.3116 12.3225 13.0648 13.0737 13.8486 13.8523 k =-0.1515 0.1629 0.2225 ( 2331 PWs) bands (ev): -18.2417 -18.2417 -15.5553 -15.5528 -15.1441 -15.1412 -14.9736 -14.9695 -7.5494 -7.5487 -4.4100 -4.4055 -4.2124 -4.2071 -3.3290 -3.3201 -0.6930 -0.6866 0.6398 0.6403 0.6838 0.6860 1.2552 1.2644 1.4515 1.4577 1.7539 1.7592 2.5098 2.5107 2.6843 2.6893 11.3711 11.3753 12.2424 12.2534 13.0964 13.1047 13.8439 13.8475 k =-0.1446 0.1555 0.2124 ( 2331 PWs) bands (ev): -18.2622 -18.2621 -15.5213 -15.5189 -15.1410 -15.1382 -14.9681 -14.9642 -7.5932 -7.5926 -4.4000 -4.3957 -4.2235 -4.2182 -3.3494 -3.3408 -0.6800 -0.6738 0.6673 0.6695 0.6950 0.6956 1.2830 1.2921 1.4486 1.4547 1.7355 1.7407 2.5181 2.5189 2.6864 2.6914 11.3178 11.3213 12.1767 12.1877 13.1300 13.1378 13.8389 13.8425 k =-0.1377 0.1481 0.2022 ( 2327 PWs) bands (ev): -18.2819 -18.2819 -15.4879 -15.4856 -15.1380 -15.1353 -14.9628 -14.9590 -7.6357 -7.6352 -4.3904 -4.3863 -4.2335 -4.2283 -3.3704 -3.3620 -0.6668 -0.6608 0.6511 0.6532 0.7494 0.7499 1.3104 1.3193 1.4461 1.4521 1.7174 1.7225 2.5263 2.5271 2.6875 2.6924 11.2622 11.2650 12.1147 12.1256 13.1654 13.1726 13.8338 13.8372 k =-0.1308 0.1407 0.1921 ( 2327 PWs) bands (ev): -18.3010 -18.3009 -15.4553 -15.4530 -15.1351 -15.1325 -14.9577 -14.9541 -7.6769 -7.6765 -4.3812 -4.3773 -4.2427 -4.2375 -3.3917 -3.3836 -0.6535 -0.6478 0.6349 0.6368 0.8032 0.8035 1.3370 1.3459 1.4442 1.4501 1.6995 1.7045 2.5343 2.5351 2.6874 2.6923 11.2049 11.2071 12.0564 12.0671 13.2023 13.2090 13.8284 13.8318 k =-0.1239 0.1333 0.1820 ( 2331 PWs) bands (ev): -18.3193 -18.3193 -15.4235 -15.4214 -15.1322 -15.1298 -14.9527 -14.9493 -7.7166 -7.7162 -4.3723 -4.3687 -4.2509 -4.2458 -3.4133 -3.4054 -0.6403 -0.6348 0.6188 0.6205 0.8558 0.8562 1.3627 1.3718 1.4426 1.4487 1.6821 1.6870 2.5422 2.5430 2.6865 2.6912 11.1463 11.1480 12.0018 12.0123 13.2404 13.2466 13.8229 13.8261 k =-0.1170 0.1259 0.1719 ( 2331 PWs) bands (ev): -18.3368 -18.3368 -15.3926 -15.3906 -15.1295 -15.1272 -14.9480 -14.9448 -7.7547 -7.7544 -4.3639 -4.3605 -4.2581 -4.2532 -3.4350 -3.4274 -0.6271 -0.6219 0.6030 0.6047 0.9071 0.9075 1.3873 1.3969 1.4417 1.4481 1.6651 1.6699 2.5499 2.5507 2.6846 2.6892 11.0871 11.0884 11.9509 11.9610 13.2794 13.2851 13.8172 13.8203 k =-0.1102 0.1185 0.1618 ( 2331 PWs) bands (ev): -18.3535 -18.3535 -15.3628 -15.3610 -15.1270 -15.1248 -14.9435 -14.9405 -7.7912 -7.7910 -4.3558 -4.3526 -4.2645 -4.2596 -3.4567 -3.4494 -0.6141 -0.6091 0.5877 0.5893 0.9567 0.9572 1.4100 1.4209 1.4413 1.4489 1.6486 1.6534 2.5574 2.5582 2.6819 2.6864 11.0278 11.0288 11.9034 11.9131 13.3190 13.3243 13.8115 13.8144 k =-0.1033 0.1111 0.1517 ( 2327 PWs) bands (ev): -18.3693 -18.3693 -15.3342 -15.3325 -15.1245 -15.1225 -14.9392 -14.9364 -7.8260 -7.8258 -4.3480 -4.3451 -4.2700 -4.2652 -3.4782 -3.4713 -0.6013 -0.5966 0.5730 0.5745 1.0042 1.0049 1.4281 1.4388 1.4466 1.4538 1.6328 1.6376 2.5647 2.5654 2.6786 2.6829 10.9691 10.9698 11.8594 11.8686 13.3589 13.3637 13.8057 13.8085 k =-0.0964 0.1037 0.1416 ( 2327 PWs) bands (ev): -18.3843 -18.3842 -15.3069 -15.3053 -15.1222 -15.1203 -14.9351 -14.9325 -7.8590 -7.8589 -4.3407 -4.3379 -4.2746 -4.2700 -3.4994 -3.4928 -0.5888 -0.5844 0.5590 0.5604 1.0494 1.0502 1.4370 1.4408 1.4660 1.4686 1.6177 1.6226 2.5717 2.5724 2.6747 2.6788 10.9115 10.9120 11.8186 11.8273 13.3987 13.4032 13.7999 13.8026 k =-0.0895 0.0963 0.1315 ( 2339 PWs) bands (ev): -18.3983 -18.3983 -15.2809 -15.2794 -15.1200 -15.1182 -14.9313 -14.9289 -7.8902 -7.8901 -4.3337 -4.3312 -4.2784 -4.2740 -3.5202 -3.5139 -0.5767 -0.5726 0.5457 0.5470 1.0918 1.0929 1.4404 1.4422 1.4846 1.4890 1.6034 1.6085 2.5784 2.5791 2.6703 2.6742 10.8556 10.8559 11.7809 11.7890 13.4381 13.4422 13.7942 13.7967 k =-0.0826 0.0889 0.1213 ( 2331 PWs) bands (ev): -18.4114 -18.4114 -15.2564 -15.2551 -15.1180 -15.1163 -14.9278 -14.9256 -7.9194 -7.9193 -4.3272 -4.3249 -4.2814 -4.2773 -3.5403 -3.5344 -0.5651 -0.5613 0.5333 0.5345 1.1312 1.1325 1.4428 1.4442 1.5031 1.5088 1.5900 1.5957 2.5848 2.5854 2.6656 2.6693 10.8018 10.8020 11.7463 11.7538 13.4767 13.4804 13.7886 13.7909 k =-0.0757 0.0815 0.1112 ( 2329 PWs) bands (ev): -18.4235 -18.4235 -15.2334 -15.2323 -15.1161 -15.1145 -14.9245 -14.9225 -7.9465 -7.9465 -4.3211 -4.3190 -4.2837 -4.2798 -3.5597 -3.5542 -0.5540 -0.5505 0.5218 0.5228 1.1672 1.1686 1.4458 1.4470 1.5201 1.5274 1.5776 1.5844 2.5908 2.5914 2.6608 2.6642 10.7507 10.7509 11.7146 11.7215 13.5142 13.5175 13.7832 13.7854 k =-0.0688 0.0741 0.1011 ( 2329 PWs) bands (ev): -18.4347 -18.4346 -15.2122 -15.2111 -15.1143 -15.1129 -14.9215 -14.9197 -7.9716 -7.9716 -4.3154 -4.3136 -4.2854 -4.2818 -3.5781 -3.5730 -0.5436 -0.5403 0.5111 0.5121 1.1994 1.2010 1.4497 1.4506 1.5343 1.5447 1.5662 1.5759 2.5964 2.5969 2.6558 2.6590 10.7027 10.7028 11.6858 11.6921 13.5500 13.5531 13.7781 13.7801 k =-0.0620 0.0667 0.0910 ( 2325 PWs) bands (ev): -18.4448 -18.4448 -15.1926 -15.1917 -15.1127 -15.1115 -14.9188 -14.9172 -7.9945 -7.9945 -4.3102 -4.3087 -4.2865 -4.2832 -3.5954 -3.5907 -0.5338 -0.5309 0.5014 0.5023 1.2274 1.2292 1.4546 1.4553 1.5420 1.5553 1.5612 1.5736 2.6015 2.6020 2.6510 2.6539 10.6582 10.6582 11.6598 11.6655 13.5840 13.5867 13.7733 13.7752 k =-0.0551 0.0593 0.0809 ( 2329 PWs) bands (ev): -18.4539 -18.4539 -15.1749 -15.1741 -15.1112 -15.1101 -14.9163 -14.9149 -8.0152 -8.0152 -4.3055 -4.3043 -4.2870 -4.2841 -3.6115 -3.6072 -0.5249 -0.5223 0.4927 0.4935 1.2511 1.2530 1.4607 1.4612 1.5408 1.5465 1.5753 1.5800 2.6062 2.6065 2.6463 2.6490 10.6174 10.6174 11.6366 11.6417 13.6155 13.6180 13.7690 13.7706 k =-0.0482 0.0518 0.0708 ( 2327 PWs) bands (ev): -18.4620 -18.4620 -15.1590 -15.1583 -15.1099 -15.1090 -14.9141 -14.9129 -8.0337 -8.0336 -4.3014 -4.3004 -4.2871 -4.2847 -3.6261 -3.6222 -0.5168 -0.5145 0.4850 0.4857 1.2705 1.2725 1.4677 1.4680 1.5356 1.5385 1.5881 1.5901 2.6103 2.6105 2.6420 2.6444 10.5807 10.5807 11.6162 11.6206 13.6443 13.6466 13.7651 13.7666 k =-0.0413 0.0444 0.0607 ( 2327 PWs) bands (ev): -18.4690 -18.4690 -15.1452 -15.1446 -15.1087 -15.1079 -14.9123 -14.9112 -8.0497 -8.0497 -4.2978 -4.2971 -4.2867 -4.2849 -3.6390 -3.6357 -0.5096 -0.5076 0.4782 0.4788 1.2859 1.2878 1.4752 1.4754 1.5302 1.5319 1.5994 1.6002 2.6138 2.6140 2.6382 2.6402 10.5484 10.5484 11.5986 11.6024 13.6699 13.6719 13.7619 13.7633 k =-0.0344 0.0370 0.0506 ( 2325 PWs) bands (ev): -18.4750 -18.4750 -15.1334 -15.1329 -15.1076 -15.1070 -14.9106 -14.9098 -8.0634 -8.0634 -4.2950 -4.2943 -4.2861 -4.2848 -3.6503 -3.6474 -0.5034 -0.5017 0.4725 0.4730 1.2976 1.2994 1.4826 1.4828 1.5256 1.5268 1.6091 1.6094 2.6167 2.6168 2.6349 2.6367 10.5207 10.5207 11.5837 11.5868 13.6919 13.6937 13.7595 13.7607 k =-0.0275 0.0296 0.0404 ( 2325 PWs) bands (ev): -18.4799 -18.4799 -15.1238 -15.1234 -15.1066 -15.1062 -14.9093 -14.9086 -8.0747 -8.0746 -4.2928 -4.2921 -4.2852 -4.2844 -3.6596 -3.6573 -0.4982 -0.4969 0.4679 0.4683 1.3063 1.3078 1.4891 1.4892 1.5224 1.5232 1.6170 1.6171 2.6187 2.6189 2.6324 2.6339 10.4977 10.4978 11.5716 11.5741 13.7096 13.7112 13.7582 13.7592 k =-0.0207 0.0222 0.0303 ( 2323 PWs) bands (ev): -18.4837 -18.4837 -15.1164 -15.1161 -15.1056 -15.1054 -14.9083 -14.9078 -8.0834 -8.0834 -4.2913 -4.2906 -4.2843 -4.2839 -3.6670 -3.6652 -0.4941 -0.4931 0.4643 0.4646 1.3124 1.3136 1.4938 1.4938 1.5208 1.5214 1.6232 1.6232 2.6199 2.6202 2.6309 2.6320 10.4797 10.4798 11.5622 11.5641 13.7225 13.7238 13.7584 13.7592 k =-0.0138 0.0148 0.0202 ( 2315 PWs) bands (ev): -18.4864 -18.4864 -15.1116 -15.1113 -15.1045 -15.1044 -14.9075 -14.9072 -8.0897 -8.0897 -4.2902 -4.2896 -4.2835 -4.2834 -3.6722 -3.6710 -0.4911 -0.4904 0.4617 0.4619 1.3165 1.3174 1.4965 1.4966 1.5208 1.5212 1.6276 1.6277 2.6204 2.6207 2.6302 2.6309 10.4668 10.4668 11.5556 11.5569 13.7305 13.7314 13.7602 13.7607 k =-0.0069 0.0074 0.0101 ( 2321 PWs) bands (ev): -18.4881 -18.4881 -15.1091 -15.1090 -15.1033 -15.1033 -14.9070 -14.9068 -8.0935 -8.0935 -4.2896 -4.2892 -4.2830 -4.2830 -3.6752 -3.6747 -0.4892 -0.4888 0.4602 0.4603 1.3190 1.3194 1.4976 1.4977 1.5215 1.5216 1.6303 1.6304 2.6205 2.6207 2.6301 2.6304 10.4590 10.4590 11.5518 11.5524 13.7344 13.7348 13.7623 13.7626 k = 0.0000 0.0000 0.0000 ( 2317 PWs) bands (ev): -18.4886 -18.4886 -15.1084 -15.1084 -15.1027 -15.1027 -14.9068 -14.9068 -8.0948 -8.0948 -4.2892 -4.2892 -4.2828 -4.2828 -3.6761 -3.6761 -0.4884 -0.4884 0.4597 0.4597 1.3199 1.3199 1.4979 1.4979 1.5219 1.5219 1.6312 1.6312 2.6206 2.6206 2.6302 2.6302 10.4564 10.4564 11.5507 11.5507 13.7356 13.7356 13.7634 13.7634 k = 0.0000 0.0000 0.0000 ( 2317 PWs) bands (ev): -18.4886 -18.4886 -15.1084 -15.1084 -15.1027 -15.1027 -14.9068 -14.9068 -8.0948 -8.0948 -4.2892 -4.2892 -4.2828 -4.2828 -3.6761 -3.6761 -0.4884 -0.4884 0.4597 0.4597 1.3199 1.3199 1.4979 1.4979 1.5219 1.5219 1.6312 1.6312 2.6206 2.6206 2.6302 2.6302 10.4564 10.4564 11.5507 11.5507 13.7356 13.7356 13.7634 13.7634 k = 0.0104 0.0097-0.0000 ( 2325 PWs) bands (ev): -18.4880 -18.4880 -15.1085 -15.1085 -15.1028 -15.1028 -14.9082 -14.9082 -8.0929 -8.0929 -4.2884 -4.2884 -4.2820 -4.2820 -3.6768 -3.6768 -0.4877 -0.4877 0.4589 0.4589 1.3197 1.3197 1.4971 1.4971 1.5211 1.5211 1.6296 1.6296 2.6205 2.6205 2.6301 2.6301 10.4589 10.4589 11.5524 11.5524 13.7340 13.7340 13.7618 13.7618 k = 0.0208 0.0194-0.0000 ( 2325 PWs) bands (ev): -18.4862 -18.4862 -15.1089 -15.1089 -15.1032 -15.1032 -14.9124 -14.9124 -8.0875 -8.0875 -4.2859 -4.2859 -4.2795 -4.2795 -3.6792 -3.6792 -0.4856 -0.4856 0.4564 0.4564 1.3193 1.3193 1.4948 1.4948 1.5187 1.5187 1.6249 1.6249 2.6202 2.6202 2.6299 2.6299 10.4664 10.4664 11.5576 11.5576 13.7294 13.7294 13.7571 13.7571 k = 0.0312 0.0290-0.0000 ( 2325 PWs) bands (ev): -18.4832 -18.4832 -15.1094 -15.1094 -15.1037 -15.1037 -14.9194 -14.9194 -8.0783 -8.0783 -4.2817 -4.2817 -4.2753 -4.2753 -3.6830 -3.6830 -0.4820 -0.4820 0.4522 0.4522 1.3186 1.3186 1.4908 1.4908 1.5148 1.5148 1.6171 1.6171 2.6197 2.6197 2.6295 2.6295 10.4789 10.4789 11.5661 11.5661 13.7217 13.7217 13.7493 13.7493 k = 0.0417 0.0387-0.0000 ( 2321 PWs) bands (ev): -18.4790 -18.4790 -15.1102 -15.1102 -15.1045 -15.1045 -14.9292 -14.9292 -8.0656 -8.0656 -4.2759 -4.2759 -4.2694 -4.2694 -3.6885 -3.6885 -0.4770 -0.4770 0.4465 0.4465 1.3174 1.3174 1.4853 1.4853 1.5094 1.5094 1.6063 1.6063 2.6190 2.6190 2.6290 2.6290 10.4963 10.4963 11.5780 11.5780 13.7111 13.7111 13.7385 13.7385 k = 0.0521 0.0484-0.0000 ( 2325 PWs) bands (ev): -18.4736 -18.4736 -15.1112 -15.1112 -15.1055 -15.1055 -14.9417 -14.9417 -8.0493 -8.0493 -4.2684 -4.2684 -4.2619 -4.2619 -3.6954 -3.6954 -0.4705 -0.4705 0.4391 0.4391 1.3157 1.3157 1.4782 1.4782 1.5023 1.5023 1.5928 1.5928 2.6182 2.6182 2.6283 2.6283 10.5185 10.5185 11.5933 11.5933 13.6977 13.6977 13.7248 13.7248 k = 0.0625 0.0581-0.0000 ( 2325 PWs) bands (ev): -18.4670 -18.4670 -15.1124 -15.1124 -15.1067 -15.1067 -14.9569 -14.9569 -8.0295 -8.0295 -4.2593 -4.2593 -4.2528 -4.2528 -3.7039 -3.7039 -0.4627 -0.4627 0.4302 0.4302 1.3134 1.3134 1.4694 1.4694 1.4936 1.4936 1.5767 1.5767 2.6173 2.6173 2.6277 2.6277 10.5455 10.5455 11.6117 11.6117 13.6817 13.6817 13.7085 13.7085 k = 0.0729 0.0678-0.0000 ( 2325 PWs) bands (ev): -18.4593 -18.4593 -15.1138 -15.1138 -15.1081 -15.1081 -14.9747 -14.9747 -8.0062 -8.0062 -4.2486 -4.2486 -4.2421 -4.2421 -3.7139 -3.7139 -0.4534 -0.4534 0.4198 0.4198 1.3100 1.3100 1.4590 1.4590 1.4832 1.4832 1.5584 1.5584 2.6165 2.6165 2.6270 2.6270 10.5772 10.5772 11.6334 11.6334 13.6632 13.6632 13.6897 13.6897 k = 0.0833 0.0775-0.0000 ( 2317 PWs) bands (ev): -18.4503 -18.4503 -15.1155 -15.1155 -15.1097 -15.1097 -14.9949 -14.9949 -7.9795 -7.9795 -4.2363 -4.2363 -4.2298 -4.2298 -3.7255 -3.7255 -0.4428 -0.4428 0.4079 0.4079 1.3054 1.3054 1.4470 1.4470 1.4711 1.4711 1.5384 1.5384 2.6156 2.6156 2.6265 2.6265 10.6133 10.6133 11.6581 11.6581 13.6425 13.6425 13.6686 13.6686 k = 0.0938 0.0871-0.0000 ( 2325 PWs) bands (ev): -18.4402 -18.4402 -15.1173 -15.1173 -15.1115 -15.1115 -15.0177 -15.0177 -7.9496 -7.9496 -4.2225 -4.2225 -4.2159 -4.2159 -3.7386 -3.7386 -0.4308 -0.4308 0.3946 0.3946 1.2989 1.2989 1.4333 1.4333 1.4574 1.4574 1.5171 1.5171 2.6149 2.6149 2.6260 2.6260 10.6539 10.6539 11.6857 11.6857 13.6198 13.6198 13.6455 13.6455 k = 0.1042 0.0968-0.0000 ( 2325 PWs) bands (ev): -18.4290 -18.4290 -15.1193 -15.1193 -15.1135 -15.1135 -15.0428 -15.0428 -7.9165 -7.9165 -4.2072 -4.2072 -4.2005 -4.2005 -3.7532 -3.7532 -0.4175 -0.4175 0.3799 0.3799 1.2900 1.2900 1.4180 1.4180 1.4419 1.4419 1.4953 1.4953 2.6144 2.6144 2.6257 2.6257 10.6986 10.6986 11.7162 11.7162 13.5952 13.5952 13.6205 13.6205 k = 0.1146 0.1065-0.0000 ( 2313 PWs) bands (ev): -18.4165 -18.4165 -15.1216 -15.1216 -15.1157 -15.1157 -15.0701 -15.0701 -7.8803 -7.8803 -4.1904 -4.1904 -4.1836 -4.1836 -3.7692 -3.7692 -0.4028 -0.4028 0.3640 0.3640 1.2779 1.2779 1.4011 1.4011 1.4247 1.4247 1.4739 1.4739 2.6141 2.6141 2.6256 2.6256 10.7475 10.7475 11.7495 11.7495 13.5690 13.5690 13.5939 13.5939 k = 0.1250 0.1162-0.0000 ( 2321 PWs) bands (ev): -18.4030 -18.4030 -15.1242 -15.1242 -15.1180 -15.1180 -15.0993 -15.0993 -7.8411 -7.8411 -4.1722 -4.1722 -4.1653 -4.1653 -3.7868 -3.7868 -0.3869 -0.3869 0.3469 0.3469 1.2616 1.2616 1.3828 1.3828 1.4057 1.4057 1.4538 1.4538 2.6142 2.6142 2.6258 2.6258 10.8001 10.8001 11.7852 11.7852 13.5414 13.5414 13.5658 13.5658 k = 0.1354 0.1259-0.0000 ( 2321 PWs) bands (ev): -18.3883 -18.3883 -15.1334 -15.1334 -15.1242 -15.1242 -15.1205 -15.1205 -7.7990 -7.7990 -4.1526 -4.1526 -4.1457 -4.1457 -3.8059 -3.8059 -0.3696 -0.3696 0.3286 0.3286 1.2406 1.2406 1.3629 1.3629 1.3849 1.3849 1.4359 1.4359 2.6146 2.6146 2.6263 2.6263 10.8565 10.8565 11.8234 11.8234 13.5126 13.5126 13.5366 13.5366 k = 0.1458 0.1356-0.0000 ( 2309 PWs) bands (ev): -18.3725 -18.3725 -15.1654 -15.1654 -15.1283 -15.1283 -15.1231 -15.1231 -7.7542 -7.7542 -4.1316 -4.1316 -4.1246 -4.1246 -3.8264 -3.8264 -0.3512 -0.3512 0.3094 0.3094 1.2146 1.2146 1.3413 1.3413 1.3625 1.3625 1.4207 1.4207 2.6154 2.6154 2.6272 2.6272 10.9164 10.9164 11.8639 11.8639 13.4829 13.4829 13.5064 13.5064 k = 0.1562 0.1452-0.0000 ( 2306 PWs) bands (ev): -18.3556 -18.3556 -15.2006 -15.2006 -15.1313 -15.1313 -15.1258 -15.1258 -7.7067 -7.7067 -4.1094 -4.1094 -4.1023 -4.1023 -3.8485 -3.8485 -0.3315 -0.3315 0.2892 0.2892 1.1839 1.1839 1.3180 1.3180 1.3383 1.3383 1.4080 1.4080 2.6166 2.6166 2.6285 2.6285 10.9795 10.9795 11.9063 11.9063 13.4523 13.4523 13.4754 13.4754 k = 0.1667 0.1549-0.0000 ( 2306 PWs) bands (ev): -18.3377 -18.3377 -15.2376 -15.2376 -15.1342 -15.1342 -15.1287 -15.1287 -7.6567 -7.6567 -4.0860 -4.0860 -4.0788 -4.0788 -3.8720 -3.8720 -0.3107 -0.3107 0.2683 0.2683 1.1492 1.1492 1.2928 1.2928 1.3124 1.3124 1.3975 1.3975 2.6184 2.6184 2.6303 2.6303 11.0457 11.0457 11.9507 11.9507 13.4212 13.4212 13.4438 13.4438 k = 0.1771 0.1646-0.0000 ( 2306 PWs) bands (ev): -18.3187 -18.3187 -15.2762 -15.2762 -15.1372 -15.1372 -15.1317 -15.1317 -7.6043 -7.6043 -4.0615 -4.0615 -4.0541 -4.0541 -3.8969 -3.8969 -0.2888 -0.2888 0.2466 0.2466 1.1111 1.1111 1.2659 1.2659 1.2850 1.2850 1.3886 1.3886 2.6206 2.6206 2.6325 2.6325 11.1148 11.1148 11.9967 11.9967 13.3897 13.3897 13.4118 13.4118 k = 0.1875 0.1743-0.0000 ( 2310 PWs) bands (ev): -18.2986 -18.2986 -15.3163 -15.3163 -15.1403 -15.1403 -15.1348 -15.1348 -7.5497 -7.5497 -4.0359 -4.0359 -4.0283 -4.0283 -3.9234 -3.9234 -0.2658 -0.2658 0.2243 0.2243 1.0705 1.0705 1.2374 1.2374 1.2560 1.2560 1.3808 1.3808 2.6234 2.6234 2.6352 2.6352 11.1864 11.1864 12.0441 12.0441 13.3579 13.3579 13.3796 13.3796 k = 0.1979 0.1840-0.0000 ( 2318 PWs) bands (ev): -18.2776 -18.2776 -15.3578 -15.3578 -15.1435 -15.1435 -15.1379 -15.1379 -7.4929 -7.4929 -4.0094 -4.0094 -4.0016 -4.0016 -3.9511 -3.9511 -0.2419 -0.2419 0.2017 0.2017 1.0278 1.0278 1.2074 1.2074 1.2255 1.2255 1.3734 1.3734 2.6267 2.6267 2.6384 2.6384 11.2604 11.2604 12.0928 12.0928 13.3260 13.3260 13.3472 13.3472 k = 0.2083 0.1936-0.0000 ( 2306 PWs) bands (ev): -18.2556 -18.2556 -15.4004 -15.4004 -15.1467 -15.1467 -15.1412 -15.1412 -7.4340 -7.4340 -3.9860 -3.9860 -3.9767 -3.9767 -3.9735 -3.9735 -0.2170 -0.2170 0.1787 0.1787 0.9837 0.9837 1.1760 1.1760 1.1936 1.1936 1.3663 1.3663 2.6305 2.6305 2.6421 2.6421 11.3366 11.3366 12.1426 12.1426 13.2941 13.2941 13.3150 13.3150 k = 0.2188 0.2033-0.0000 ( 2310 PWs) bands (ev): -18.2326 -18.2326 -15.4442 -15.4442 -15.1500 -15.1500 -15.1444 -15.1444 -7.3733 -7.3733 -4.0122 -4.0122 -3.9526 -3.9526 -3.9452 -3.9452 -0.1914 -0.1914 0.1556 0.1556 0.9384 0.9384 1.1434 1.1434 1.1605 1.1605 1.3589 1.3589 2.6348 2.6348 2.6462 2.6462 11.4146 11.4146 12.1931 12.1931 13.2624 13.2624 13.2828 13.2828 k = 0.2292 0.2130-0.0000 ( 2310 PWs) bands (ev): -18.2087 -18.2087 -15.4889 -15.4889 -15.1533 -15.1533 -15.1477 -15.1477 -7.3108 -7.3108 -4.0444 -4.0444 -3.9237 -3.9237 -3.9159 -3.9159 -0.1652 -0.1652 0.1326 0.1326 0.8925 0.8925 1.1097 1.1097 1.1263 1.1263 1.3513 1.3513 2.6395 2.6395 2.6508 2.6508 11.4942 11.4942 12.2442 12.2442 13.2310 13.2310 13.2510 13.2510 k = 0.2396 0.2227-0.0000 ( 2314 PWs) bands (ev): -18.1839 -18.1839 -15.5345 -15.5345 -15.1567 -15.1567 -15.1511 -15.1511 -7.2467 -7.2467 -4.0782 -4.0782 -3.8939 -3.8939 -3.8860 -3.8860 -0.1388 -0.1388 0.1102 0.1102 0.8461 0.8461 1.0749 1.0749 1.0910 1.0910 1.3432 1.3432 2.6447 2.6447 2.6558 2.6558 11.5752 11.5752 12.2957 12.2957 13.2000 13.2000 13.2196 13.2196 k = 0.2500 0.2324-0.0000 ( 2310 PWs) bands (ev): -18.1582 -18.1582 -15.5807 -15.5807 -15.1600 -15.1600 -15.1544 -15.1544 -7.1811 -7.1811 -4.1135 -4.1135 -3.8636 -3.8636 -3.8555 -3.8555 -0.1126 -0.1126 0.0888 0.0888 0.7996 0.7996 1.0393 1.0393 1.0549 1.0549 1.3344 1.3344 2.6503 2.6503 2.6612 2.6612 11.6573 11.6573 12.3472 12.3472 13.1695 13.1695 13.1887 13.1887 k = 0.2604 0.2421-0.0000 ( 2310 PWs) bands (ev): -18.1318 -18.1318 -15.6275 -15.6275 -15.1633 -15.1633 -15.1578 -15.1578 -7.1140 -7.1140 -4.1504 -4.1504 -3.8328 -3.8328 -3.8245 -3.8245 -0.0879 -0.0879 0.0697 0.0697 0.7533 0.7533 1.0030 1.0030 1.0180 1.0180 1.3249 1.3249 2.6563 2.6563 2.6669 2.6669 11.7402 11.7402 12.3987 12.3987 13.1395 13.1395 13.1583 13.1583 k = 0.2708 0.2517-0.0000 ( 2310 PWs) bands (ev): -18.1046 -18.1046 -15.6748 -15.6748 -15.1667 -15.1667 -15.1611 -15.1611 -7.0457 -7.0457 -4.1887 -4.1887 -3.8017 -3.8017 -3.7933 -3.7933 -0.0671 -0.0671 0.0554 0.0554 0.7074 0.7074 0.9661 0.9661 0.9807 0.9807 1.3145 1.3145 2.6625 2.6625 2.6729 2.6729 11.8235 11.8235 12.4498 12.4498 13.1103 13.1103 13.1287 13.1287 k = 0.2812 0.2614-0.0000 ( 2310 PWs) bands (ev): -18.0768 -18.0768 -15.7224 -15.7224 -15.1700 -15.1700 -15.1644 -15.1644 -6.9762 -6.9762 -4.2285 -4.2285 -3.7704 -3.7704 -3.7618 -3.7618 -0.0552 -0.0552 0.0511 0.0511 0.6622 0.6622 0.9289 0.9289 0.9429 0.9429 1.3032 1.3032 2.6691 2.6691 2.6791 2.6791 11.9071 11.9071 12.5003 12.5003 13.0819 13.0819 13.0999 13.0999 k = 0.2917 0.2711-0.0000 ( 2310 PWs) bands (ev): -18.0483 -18.0483 -15.7702 -15.7702 -15.1732 -15.1732 -15.1676 -15.1676 -6.9057 -6.9057 -4.2698 -4.2698 -3.7391 -3.7391 -3.7302 -3.7302 -0.0567 -0.0567 0.0609 0.0609 0.6179 0.6179 0.8915 0.8915 0.9049 0.9049 1.2910 1.2910 2.6758 2.6758 2.6855 2.6855 11.9905 11.9905 12.5501 12.5501 13.0542 13.0542 13.0719 13.0719 k = 0.3021 0.2808-0.0000 ( 2306 PWs) bands (ev): -18.0192 -18.0192 -15.8180 -15.8180 -15.1764 -15.1764 -15.1708 -15.1708 -6.8342 -6.8342 -4.3127 -4.3127 -3.7078 -3.7078 -3.6988 -3.6988 -0.0685 -0.0685 0.0819 0.0819 0.5748 0.5748 0.8541 0.8541 0.8670 0.8670 1.2778 1.2778 2.6827 2.6827 2.6920 2.6920 12.0735 12.0735 12.5988 12.5988 13.0276 13.0276 13.0448 13.0448 k = 0.3125 0.2905-0.0000 ( 2302 PWs) bands (ev): -17.9897 -17.9897 -15.8657 -15.8657 -15.1795 -15.1795 -15.1739 -15.1739 -6.7620 -6.7620 -4.3570 -4.3570 -3.6767 -3.6767 -3.6675 -3.6675 -0.0852 -0.0852 0.1086 0.1086 0.5332 0.5332 0.8168 0.8168 0.8292 0.8292 1.2635 1.2635 2.6896 2.6896 2.6987 2.6987 12.1556 12.1556 12.6463 12.6463 13.0019 13.0019 13.0187 13.0187 k = 0.3229 0.3002-0.0000 ( 2298 PWs) bands (ev): -17.9598 -17.9598 -15.9132 -15.9132 -15.1825 -15.1825 -15.1769 -15.1769 -6.6890 -6.6890 -4.4029 -4.4029 -3.6460 -3.6460 -3.6365 -3.6365 -0.1038 -0.1038 0.1380 0.1380 0.4933 0.4933 0.7799 0.7799 0.7918 0.7918 1.2482 1.2482 2.6966 2.6966 2.7053 2.7053 12.2366 12.2366 12.6924 12.6924 12.9773 12.9773 12.9937 12.9937 k = 0.3333 0.3098-0.0000 ( 2302 PWs) bands (ev): -17.9296 -17.9296 -15.9602 -15.9602 -15.1854 -15.1854 -15.1798 -15.1798 -6.6155 -6.6155 -4.4502 -4.4502 -3.6157 -3.6157 -3.6061 -3.6061 -0.1230 -0.1230 0.1683 0.1683 0.4557 0.4557 0.7436 0.7436 0.7550 0.7550 1.2317 1.2317 2.7036 2.7036 2.7119 2.7119 12.3160 12.3160 12.7369 12.7369 12.9538 12.9538 12.9698 12.9698 k = 0.3438 0.3195-0.0000 ( 2310 PWs) bands (ev): -17.8993 -17.8993 -16.0066 -16.0066 -15.1882 -15.1882 -15.1827 -15.1827 -6.5416 -6.5416 -4.4991 -4.4991 -3.5862 -3.5862 -3.5764 -3.5764 -0.1421 -0.1421 0.1983 0.1983 0.4211 0.4211 0.7081 0.7081 0.7189 0.7189 1.2143 1.2143 2.7105 2.7105 2.7184 2.7184 12.3934 12.3934 12.7795 12.7795 12.9316 12.9316 12.9470 12.9470 k = 0.3542 0.3292-0.0000 ( 2318 PWs) bands (ev): -17.8690 -17.8690 -16.0522 -16.0522 -15.1909 -15.1909 -15.1853 -15.1853 -6.4673 -6.4673 -4.5493 -4.5493 -3.5574 -3.5574 -3.5474 -3.5474 -0.1607 -0.1607 0.2262 0.2262 0.3911 0.3911 0.6736 0.6736 0.6839 0.6839 1.1957 1.1957 2.7172 2.7172 2.7248 2.7248 12.4685 12.4685 12.8199 12.8199 12.9109 12.9109 12.9255 12.9255 k = 0.3646 0.3389-0.0000 ( 2318 PWs) bands (ev): -17.8388 -17.8388 -16.0968 -16.0968 -15.1935 -15.1935 -15.1879 -15.1879 -6.3928 -6.3928 -4.6011 -4.6011 -3.5297 -3.5297 -3.5195 -3.5195 -0.1787 -0.1787 0.2479 0.2479 0.3697 0.3697 0.6402 0.6402 0.6501 0.6501 1.1762 1.1762 2.7237 2.7237 2.7310 2.7310 12.5407 12.5407 12.8563 12.8563 12.8933 12.8933 12.9053 12.9053 k = 0.3750 0.3486-0.0000 ( 2318 PWs) bands (ev): -17.8089 -17.8089 -16.1402 -16.1402 -15.1959 -15.1959 -15.1903 -15.1903 -6.3182 -6.3182 -4.6542 -4.6542 -3.5031 -3.5031 -3.4927 -3.4927 -0.1958 -0.1958 0.2554 0.2554 0.3647 0.3647 0.6083 0.6083 0.6177 0.6177 1.1558 1.1558 2.7300 2.7300 2.7370 2.7370 12.6097 12.6097 12.8667 12.8667 12.8860 12.8860 12.9013 12.9013 k = 0.3854 0.3583-0.0000 ( 2318 PWs) bands (ev): -17.7795 -17.7795 -16.1821 -16.1821 -15.1981 -15.1981 -15.1925 -15.1925 -6.2437 -6.2437 -4.7087 -4.7087 -3.4778 -3.4778 -3.4673 -3.4673 -0.2119 -0.2119 0.2459 0.2459 0.3790 0.3790 0.5779 0.5779 0.5869 0.5869 1.1344 1.1344 2.7361 2.7361 2.7426 2.7426 12.6750 12.6750 12.8520 12.8520 12.8686 12.8686 12.9330 12.9330 k = 0.3958 0.3679-0.0000 ( 2318 PWs) bands (ev): -17.7509 -17.7509 -16.2223 -16.2223 -15.2002 -15.2002 -15.1946 -15.1946 -6.1693 -6.1693 -4.7644 -4.7644 -3.4541 -3.4541 -3.4433 -3.4433 -0.2269 -0.2269 0.2276 0.2276 0.4042 0.4042 0.5494 0.5494 0.5580 0.5580 1.1122 1.1122 2.7417 2.7417 2.7480 2.7480 12.7360 12.7360 12.8369 12.8369 12.8524 12.8524 12.9645 12.9645 k = 0.4062 0.3776-0.0000 ( 2318 PWs) bands (ev): -17.7234 -17.7234 -16.2605 -16.2605 -15.2021 -15.2021 -15.1965 -15.1965 -6.0953 -6.0953 -4.8214 -4.8214 -3.4320 -3.4320 -3.4210 -3.4210 -0.2408 -0.2408 0.2070 0.2070 0.4337 0.4337 0.5229 0.5229 0.5311 0.5311 1.0894 1.0894 2.7470 2.7470 2.7529 2.7529 12.7916 12.7916 12.8236 12.8236 12.8377 12.8377 12.9938 12.9938 k = 0.4167 0.3873-0.0000 ( 2318 PWs) bands (ev): -17.6972 -17.6972 -16.2962 -16.2962 -15.2038 -15.2038 -15.1983 -15.1983 -6.0218 -6.0218 -4.8795 -4.8795 -3.4117 -3.4117 -3.4006 -3.4006 -0.2534 -0.2534 0.1869 0.1869 0.4645 0.4645 0.4987 0.4987 0.5065 0.5065 1.0661 1.0661 2.7518 2.7518 2.7574 2.7574 12.8078 12.8078 12.8242 12.8242 12.8463 12.8463 13.0208 13.0208 k = 0.4271 0.3970-0.0000 ( 2318 PWs) bands (ev): -17.6727 -17.6727 -16.3292 -16.3292 -15.2054 -15.2054 -15.1998 -15.1998 -5.9491 -5.9491 -4.9384 -4.9384 -3.3933 -3.3933 -3.3821 -3.3821 -0.2647 -0.2647 0.1683 0.1683 0.4764 0.4764 0.4838 0.4838 0.4964 0.4964 1.0425 1.0425 2.7562 2.7562 2.7615 2.7615 12.7971 12.7971 12.8125 12.8125 12.8916 12.8916 13.0452 13.0452 k = 0.4375 0.4067-0.0000 ( 2318 PWs) bands (ev): -17.6503 -17.6503 -16.3590 -16.3590 -15.2067 -15.2067 -15.2012 -15.2012 -5.8775 -5.8775 -4.9980 -4.9980 -3.3771 -3.3771 -3.3658 -3.3658 -0.2746 -0.2746 0.1517 0.1517 0.4572 0.4572 0.4645 0.4645 0.5264 0.5264 1.0190 1.0190 2.7601 2.7601 2.7651 2.7651 12.7871 12.7871 12.8022 12.8022 12.9317 12.9317 13.0671 13.0671 k = 0.4479 0.4163-0.0000 ( 2342 PWs) bands (ev): -17.6304 -17.6304 -16.3852 -16.3852 -15.2079 -15.2079 -15.2023 -15.2023 -5.8074 -5.8074 -5.0579 -5.0579 -3.3632 -3.3632 -3.3518 -3.3518 -0.2831 -0.2831 0.1374 0.1374 0.4405 0.4405 0.4476 0.4476 0.5554 0.5554 0.9960 0.9960 2.7634 2.7634 2.7682 2.7682 12.7786 12.7786 12.7934 12.7934 12.9659 12.9659 13.0861 13.0861 k = 0.4583 0.4260-0.0000 ( 2342 PWs) bands (ev): -17.6134 -17.6134 -16.4075 -16.4075 -15.2089 -15.2089 -15.2033 -15.2033 -5.7396 -5.7396 -5.1172 -5.1172 -3.3516 -3.3516 -3.3401 -3.3401 -0.2901 -0.2901 0.1256 0.1256 0.4267 0.4267 0.4335 0.4335 0.5821 0.5821 0.9743 0.9743 2.7661 2.7661 2.7707 2.7707 12.7716 12.7716 12.7862 12.7862 12.9937 12.9937 13.1024 13.1024 k = 0.4688 0.4357-0.0000 ( 2350 PWs) bands (ev): -17.5996 -17.5996 -16.4253 -16.4253 -15.2096 -15.2096 -15.2040 -15.2040 -5.6757 -5.6757 -5.1746 -5.1746 -3.3425 -3.3425 -3.3309 -3.3309 -0.2956 -0.2956 0.1163 0.1163 0.4158 0.4158 0.4225 0.4225 0.6056 0.6056 0.9549 0.9549 2.7683 2.7683 2.7727 2.7727 12.7661 12.7661 12.7806 12.7806 13.0152 13.0152 13.1155 13.1155 k = 0.4792 0.4454-0.0000 ( 2350 PWs) bands (ev): -17.5895 -17.5895 -16.4383 -16.4383 -15.2101 -15.2101 -15.2046 -15.2046 -5.6185 -5.6185 -5.2270 -5.2270 -3.3359 -3.3359 -3.3243 -3.3243 -0.2995 -0.2995 0.1096 0.1096 0.4079 0.4079 0.4145 0.4145 0.6244 0.6244 0.9391 0.9391 2.7699 2.7699 2.7741 2.7741 12.7622 12.7622 12.7766 12.7766 13.0304 13.0304 13.1252 13.1252 k = 0.4896 0.4551-0.0000 ( 2350 PWs) bands (ev): -17.5833 -17.5833 -16.4462 -16.4462 -15.2105 -15.2105 -15.2049 -15.2049 -5.5750 -5.5750 -5.2677 -5.2677 -3.3320 -3.3320 -3.3203 -3.3203 -0.3019 -0.3019 0.1056 0.1056 0.4032 0.4032 0.4097 0.4097 0.6367 0.6367 0.9285 0.9285 2.7708 2.7708 2.7750 2.7750 12.7598 12.7598 12.7742 12.7742 13.0395 13.0395 13.1312 13.1312 k = 0.5000 0.4648-0.0000 ( 2354 PWs) bands (ev): -17.5812 -17.5812 -16.4489 -16.4489 -15.2106 -15.2106 -15.2050 -15.2050 -5.5576 -5.5576 -5.2841 -5.2841 -3.3307 -3.3307 -3.3189 -3.3189 -0.3027 -0.3027 0.1043 0.1043 0.4016 0.4016 0.4081 0.4081 0.6410 0.6410 0.9248 0.9248 2.7711 2.7711 2.7753 2.7753 12.7590 12.7590 12.7734 12.7734 13.0425 13.0425 13.1332 13.1332 k = 0.5000 0.4648-0.0000 ( 2354 PWs) bands (ev): -17.5812 -17.5812 -16.4489 -16.4489 -15.2106 -15.2106 -15.2050 -15.2050 -5.5576 -5.5576 -5.2841 -5.2841 -3.3307 -3.3307 -3.3189 -3.3189 -0.3027 -0.3027 0.1043 0.1043 0.4016 0.4016 0.4081 0.4081 0.6410 0.6410 0.9248 0.9248 2.7711 2.7711 2.7753 2.7753 12.7590 12.7590 12.7734 12.7734 13.0425 13.0425 13.1332 13.1332 k = 0.4932 0.4720 0.0099 ( 2353 PWs) bands (ev): -17.5811 -17.5811 -16.4491 -16.4488 -15.2107 -15.2104 -15.2050 -15.2050 -5.5579 -5.5577 -5.2847 -5.2841 -3.3310 -3.3306 -3.3192 -3.3187 -0.3053 -0.3036 0.0975 0.1006 0.3987 0.4003 0.4131 0.4156 0.6436 0.6446 0.9266 0.9270 2.7705 2.7709 2.7747 2.7750 12.7564 12.7586 12.7717 12.7721 13.0435 13.0456 13.1348 13.1352 k = 0.4865 0.4793 0.0199 ( 2353 PWs) bands (ev): -17.5810 -17.5810 -16.4493 -16.4488 -15.2108 -15.2102 -15.2049 -15.2048 -5.5585 -5.5582 -5.2857 -5.2845 -3.3317 -3.3311 -3.3193 -3.3182 -0.3115 -0.3083 0.0825 0.0882 0.3862 0.3880 0.4363 0.4395 0.6516 0.6535 0.9324 0.9333 2.7689 2.7698 2.7733 2.7740 12.7508 12.7552 12.7671 12.7681 13.0485 13.0526 13.1400 13.1406 k = 0.4797 0.4866 0.0298 ( 2341 PWs) bands (ev): -17.5809 -17.5809 -16.4495 -16.4488 -15.2110 -15.2100 -15.2047 -15.2045 -5.5597 -5.5593 -5.2870 -5.2852 -3.3338 -3.3331 -3.3186 -3.3166 -0.3215 -0.3168 0.0638 0.0713 0.3668 0.3689 0.4714 0.4750 0.6634 0.6659 0.9422 0.9435 2.7662 2.7676 2.7714 2.7724 12.7424 12.7484 12.7603 12.7622 13.0571 13.0626 13.1490 13.1497 k = 0.4730 0.4939 0.0397 ( 2333 PWs) bands (ev): -17.5807 -17.5807 -16.4497 -16.4488 -15.2113 -15.2100 -15.2043 -15.2040 -5.5619 -5.5614 -5.2881 -5.2857 -3.3375 -3.3368 -3.3164 -3.3135 -0.3355 -0.3296 0.0451 0.0541 0.3428 0.3453 0.5141 0.5180 0.6770 0.6799 0.9560 0.9576 2.7624 2.7643 2.7690 2.7701 12.7311 12.7381 12.7519 12.7551 13.0684 13.0749 13.1618 13.1625 k = 0.4662 0.5011 0.0497 ( 2333 PWs) bands (ev): -17.5805 -17.5805 -16.4500 -16.4488 -15.2118 -15.2102 -15.2037 -15.2031 -5.5656 -5.5649 -5.2885 -5.2857 -3.3430 -3.3422 -3.3129 -3.3091 -0.3537 -0.3468 0.0291 0.0390 0.3159 0.3186 0.5617 0.5656 0.6914 0.6945 0.9735 0.9754 2.7573 2.7596 2.7661 2.7674 12.7169 12.7243 12.7428 12.7474 13.0818 13.0888 13.1784 13.1791 k = 0.4594 0.5084 0.0596 ( 2325 PWs) bands (ev): -17.5804 -17.5804 -16.4501 -16.4487 -15.2124 -15.2106 -15.2027 -15.2019 -5.5713 -5.5704 -5.2877 -5.2844 -3.3501 -3.3491 -3.3083 -3.3037 -0.3760 -0.3684 0.0173 0.0277 0.2873 0.2900 0.6118 0.6158 0.7064 0.7094 0.9945 0.9966 2.7510 2.7537 2.7629 2.7642 12.7000 12.7075 12.7336 12.7394 13.0966 13.1037 13.1985 13.1994 k = 0.4527 0.5157 0.0695 ( 2323 PWs) bands (ev): -17.5803 -17.5803 -16.4502 -16.4486 -15.2133 -15.2112 -15.2014 -15.2003 -5.5795 -5.5785 -5.2852 -5.2814 -3.3585 -3.3574 -3.3027 -3.2974 -0.4017 -0.3937 0.0101 0.0207 0.2575 0.2603 0.6610 0.6653 0.7240 0.7265 1.0184 1.0207 2.7434 2.7466 2.7592 2.7605 12.6806 12.6881 12.7246 12.7314 13.1127 13.1196 13.2218 13.2232 k = 0.4459 0.5230 0.0795 ( 2323 PWs) bands (ev): -17.5804 -17.5804 -16.4501 -16.4482 -15.2142 -15.2119 -15.1998 -15.1984 -5.5909 -5.5896 -5.2803 -5.2762 -3.3682 -3.3670 -3.2962 -3.2903 -0.4303 -0.4222 0.0075 0.0180 0.2273 0.2301 0.6998 0.7052 0.7522 0.7547 1.0448 1.0472 2.7346 2.7382 2.7549 2.7564 12.6588 12.6662 12.7161 12.7236 13.1300 13.1366 13.2478 13.2499 k = 0.4391 0.5302 0.0894 ( 2319 PWs) bands (ev): -17.5807 -17.5807 -16.4498 -16.4477 -15.2152 -15.2127 -15.1979 -15.1963 -5.6056 -5.6041 -5.2727 -5.2683 -3.3792 -3.3779 -3.2891 -3.2825 -0.4610 -0.4529 0.0091 0.0193 0.1969 0.1997 0.7210 0.7270 0.7983 0.8015 1.0731 1.0756 2.7246 2.7286 2.7503 2.7517 12.6348 12.6422 12.7083 12.7163 13.1484 13.1546 13.2761 13.2789 k = 0.4324 0.5375 0.0993 ( 2319 PWs) bands (ev): -17.5813 -17.5813 -16.4491 -16.4469 -15.2163 -15.2136 -15.1958 -15.1939 -5.6238 -5.6221 -5.2624 -5.2577 -3.3914 -3.3899 -3.2813 -3.2742 -0.4929 -0.4849 0.0143 0.0242 0.1668 0.1695 0.7342 0.7402 0.8533 0.8565 1.1029 1.1055 2.7134 2.7178 2.7451 2.7467 12.6089 12.6162 12.7013 12.7098 13.1680 13.1738 13.3064 13.3098 k = 0.4256 0.5448 0.1093 ( 2315 PWs) bands (ev): -17.5822 -17.5822 -16.4481 -16.4456 -15.2174 -15.2146 -15.1934 -15.1912 -5.6455 -5.6436 -5.2493 -5.2444 -3.4047 -3.4031 -3.2731 -3.2653 -0.5254 -0.5176 0.0227 0.0321 0.1371 0.1397 0.7447 0.7508 0.9110 0.9141 1.1338 1.1365 2.7009 2.7057 2.7395 2.7411 12.5812 12.5886 12.6953 12.7041 13.1889 13.1944 13.3382 13.3421 k = 0.4189 0.5521 0.1192 ( 2315 PWs) bands (ev): -17.5836 -17.5835 -16.4466 -16.4440 -15.2185 -15.2155 -15.1907 -15.1883 -5.6705 -5.6683 -5.2336 -5.2286 -3.4191 -3.4174 -3.2643 -3.2561 -0.5580 -0.5504 0.0338 0.0426 0.1081 0.1106 0.7540 0.7603 0.9698 0.9726 1.1654 1.1684 2.6872 2.6923 2.7335 2.7352 12.5521 12.5594 12.6903 12.6993 13.2112 13.2163 13.3712 13.3755 k = 0.4121 0.5593 0.1291 ( 2319 PWs) bands (ev): -17.5855 -17.5854 -16.4445 -16.4417 -15.2195 -15.2164 -15.1878 -15.1852 -5.6987 -5.6962 -5.2155 -5.2103 -3.4346 -3.4327 -3.2553 -3.2466 -0.5900 -0.5826 0.0472 0.0548 0.0805 0.0825 0.7628 0.7692 1.0289 1.0313 1.1976 1.2008 2.6722 2.6777 2.7272 2.7289 12.5217 12.5291 12.6863 12.6954 13.2347 13.2394 13.4049 13.4097 k = 0.4053 0.5666 0.1390 ( 2319 PWs) bands (ev): -17.5879 -17.5879 -16.4418 -16.4389 -15.2205 -15.2172 -15.1846 -15.1819 -5.7297 -5.7270 -5.1953 -5.1900 -3.4510 -3.4490 -3.2460 -3.2369 -0.6212 -0.6139 0.0500 0.0540 0.0635 0.0734 0.7712 0.7779 1.0876 1.0895 1.2302 1.2339 2.6560 2.6619 2.7204 2.7222 12.4902 12.4977 12.6833 12.6926 13.2594 13.2639 13.4392 13.4443 k = 0.3986 0.5739 0.1490 ( 2315 PWs) bands (ev): -17.5911 -17.5910 -16.4383 -16.4352 -15.2214 -15.2179 -15.1813 -15.1783 -5.7632 -5.7604 -5.1732 -5.1678 -3.4684 -3.4662 -3.2366 -3.2270 -0.6512 -0.6441 0.0250 0.0280 0.0806 0.0893 0.7795 0.7864 1.1455 1.1466 1.2635 1.2679 2.6386 2.6448 2.7134 2.7153 12.4579 12.4655 12.6814 12.6907 13.2854 13.2896 13.4736 13.4790 k = 0.3918 0.5812 0.1589 ( 2315 PWs) bands (ev): -17.5950 -17.5949 -16.4339 -16.4307 -15.2221 -15.2186 -15.1777 -15.1745 -5.7991 -5.7962 -5.1496 -5.1440 -3.4866 -3.4843 -3.2271 -3.2172 -0.6797 -0.6727 0.0001 0.0029 0.0997 0.1078 0.7878 0.7949 1.2010 1.2019 1.2979 1.3035 2.6199 2.6265 2.7062 2.7080 12.4251 12.4328 12.6805 12.6898 13.3124 13.3163 13.5080 13.5137 k = 0.3850 0.5884 0.1688 ( 2313 PWs) bands (ev): -17.5997 -17.5997 -16.4286 -16.4253 -15.2227 -15.2190 -15.1739 -15.1705 -5.8372 -5.8341 -5.1246 -5.1189 -3.5057 -3.5032 -3.2176 -3.2074 -0.7066 -0.6997 -0.0235 -0.0209 0.1203 0.1280 0.7961 0.8034 1.2520 1.2542 1.3347 1.3419 2.6002 2.6070 2.6986 2.7006 12.3919 12.3997 12.6806 12.6899 13.3403 13.3440 13.5420 13.5479 k = 0.3783 0.5957 0.1788 ( 2309 PWs) bands (ev): -17.6054 -17.6054 -16.4223 -16.4188 -15.2232 -15.2194 -15.1698 -15.1663 -5.8772 -5.8740 -5.0985 -5.0927 -3.5255 -3.5229 -3.2082 -3.1977 -0.7317 -0.7248 -0.0457 -0.0433 0.1423 0.1497 0.8044 0.8119 1.2970 1.3008 1.3760 1.3847 2.5793 2.5864 2.6910 2.6929 12.3585 12.3665 12.6816 12.6909 13.3689 13.3724 13.5754 13.5816 k = 0.3715 0.6030 0.1887 ( 2311 PWs) bands (ev): -17.6121 -17.6120 -16.4148 -16.4112 -15.2234 -15.2195 -15.1656 -15.1619 -5.9189 -5.9156 -5.0716 -5.0657 -3.5461 -3.5433 -3.1990 -3.1882 -0.7548 -0.7480 -0.0663 -0.0641 0.1654 0.1726 0.8128 0.8206 1.3355 1.3401 1.4229 1.4324 2.5573 2.5647 2.6831 2.6851 12.3251 12.3333 12.6834 12.6927 13.3980 13.4012 13.6079 13.6143 k = 0.3648 0.6103 0.1986 ( 2315 PWs) bands (ev): -17.6198 -17.6198 -16.4060 -16.4024 -15.2235 -15.2195 -15.1612 -15.1573 -5.9622 -5.9589 -5.0440 -5.0379 -3.5672 -3.5643 -3.1901 -3.1791 -0.7759 -0.7691 -0.0852 -0.0832 0.1898 0.1966 0.8213 0.8293 1.3685 1.3731 1.4741 1.4835 2.5344 2.5420 2.6752 2.6773 12.2919 12.3004 12.6860 12.6952 13.4272 13.4302 13.6393 13.6459 k = 0.3580 0.6175 0.2086 ( 2317 PWs) bands (ev): -17.6286 -17.6286 -16.3960 -16.3924 -15.2234 -15.2193 -15.1566 -15.1525 -6.0070 -6.0036 -5.0159 -5.0097 -3.5890 -3.5859 -3.1815 -3.1702 -0.7949 -0.7881 -0.1024 -0.1005 0.2151 0.2217 0.8299 0.8381 1.3973 1.4019 1.5272 1.5364 2.5106 2.5185 2.6673 2.6694 12.2591 12.2678 12.6894 12.6985 13.4562 13.4590 13.6694 13.6762 k = 0.3580 0.6175 0.2086 ( 2317 PWs) bands (ev): -17.6286 -17.6286 -16.3960 -16.3924 -15.2234 -15.2193 -15.1566 -15.1525 -6.0070 -6.0036 -5.0159 -5.0097 -3.5890 -3.5859 -3.1815 -3.1702 -0.7949 -0.7881 -0.1024 -0.1005 0.2151 0.2217 0.8299 0.8381 1.3973 1.4019 1.5272 1.5364 2.5106 2.5185 2.6673 2.6694 12.2591 12.2678 12.6894 12.6985 13.4562 13.4590 13.6694 13.6762 k = 0.3457 0.6135 0.2140 ( 2321 PWs) bands (ev): -17.6347 -17.6347 -16.3891 -16.3854 -15.2230 -15.2189 -15.1539 -15.1497 -6.0350 -6.0316 -4.9978 -4.9916 -3.6016 -3.5984 -3.1776 -3.1663 -0.8037 -0.7969 -0.1105 -0.1086 0.2299 0.2363 0.8329 0.8412 1.4130 1.4175 1.5575 1.5666 2.4972 2.5053 2.6628 2.6649 12.2416 12.2504 12.6916 12.7007 13.4706 13.4733 13.6848 13.6917 k = 0.3333 0.6095 0.2195 ( 2318 PWs) bands (ev): -17.6425 -17.6424 -16.3801 -16.3763 -15.2224 -15.2182 -15.1511 -15.1468 -6.0682 -6.0648 -4.9752 -4.9690 -3.6150 -3.6118 -3.1753 -3.1639 -0.8106 -0.8039 -0.1170 -0.1150 0.2456 0.2519 0.8323 0.8409 1.4298 1.4345 1.5889 1.5979 2.4841 2.4922 2.6581 2.6603 12.2251 12.2340 12.6941 12.7032 13.4821 13.4846 13.6990 13.7059 k = 0.3210 0.6055 0.2250 ( 2316 PWs) bands (ev): -17.6517 -17.6517 -16.3693 -16.3656 -15.2213 -15.2171 -15.1480 -15.1436 -6.1056 -6.1022 -4.9491 -4.9428 -3.6291 -3.6259 -3.1745 -3.1630 -0.8157 -0.8089 -0.1221 -0.1199 0.2624 0.2685 0.8286 0.8375 1.4475 1.4525 1.6210 1.6299 2.4712 2.4794 2.6533 2.6556 12.2096 12.2185 12.6971 12.7062 13.4905 13.4929 13.7120 13.7189 k = 0.3086 0.6015 0.2305 ( 2320 PWs) bands (ev): -17.6622 -17.6622 -16.3571 -16.3534 -15.2199 -15.2157 -15.1448 -15.1403 -6.1463 -6.1430 -4.9203 -4.9140 -3.6438 -3.6404 -3.1751 -3.1636 -0.8190 -0.8122 -0.1259 -0.1234 0.2802 0.2861 0.8221 0.8314 1.4658 1.4713 1.6534 1.6623 2.4589 2.4671 2.6484 2.6509 12.1951 12.2041 12.7005 12.7096 13.4959 13.4982 13.7240 13.7309 k = 0.2963 0.5975 0.2359 ( 2324 PWs) bands (ev): -17.6738 -17.6738 -16.3437 -16.3400 -15.2181 -15.2139 -15.1414 -15.1367 -6.1896 -6.1862 -4.8895 -4.8832 -3.6588 -3.6554 -3.1771 -3.1656 -0.8206 -0.8139 -0.1284 -0.1255 0.2989 0.3047 0.8131 0.8229 1.4842 1.4902 1.6857 1.6946 2.4474 2.4556 2.6434 2.6463 12.1817 12.1908 12.7045 12.7136 13.4984 13.5005 13.7350 13.7419 k = 0.2839 0.5935 0.2414 ( 2328 PWs) bands (ev): -17.6862 -17.6862 -16.3294 -16.3257 -15.2160 -15.2118 -15.1377 -15.1330 -6.2345 -6.2312 -4.8573 -4.8510 -3.6740 -3.6705 -3.1805 -3.1689 -0.8206 -0.8139 -0.1299 -0.1266 0.3185 0.3241 0.8022 0.8125 1.5023 1.5088 1.7176 1.7265 2.4370 2.4452 2.6386 2.6418 12.1695 12.1784 12.7089 12.7180 13.4982 13.5002 13.7451 13.7519 k = 0.2716 0.5895 0.2469 ( 2332 PWs) bands (ev): -17.6993 -17.6992 -16.3145 -16.3108 -15.2136 -15.2093 -15.1340 -15.1291 -6.2806 -6.2774 -4.8244 -4.8180 -3.6891 -3.6855 -3.1851 -3.1736 -0.8191 -0.8125 -0.1304 -0.1267 0.3388 0.3442 0.7898 0.8007 1.5194 1.5264 1.7486 1.7575 2.4280 2.4360 2.6341 2.6376 12.1583 12.1672 12.7138 12.7229 13.4956 13.4974 13.7542 13.7609 k = 0.2592 0.5855 0.2523 ( 2332 PWs) bands (ev): -17.7127 -17.7127 -16.2991 -16.2954 -15.2108 -15.2066 -15.1300 -15.1251 -6.3273 -6.3241 -4.7910 -4.7847 -3.7040 -3.7004 -3.1910 -3.1795 -0.8162 -0.8097 -0.1301 -0.1259 0.3598 0.3650 0.7764 0.7880 1.5350 1.5427 1.7786 1.7875 2.4205 2.4284 2.6299 2.6339 12.1483 12.1571 12.7193 12.7283 13.4907 13.4925 13.7624 13.7689 k = 0.2469 0.5815 0.2578 ( 2333 PWs) bands (ev): -17.7265 -17.7264 -16.2835 -16.2799 -15.2078 -15.2035 -15.1258 -15.1208 -6.3741 -6.3710 -4.7578 -4.7515 -3.7184 -3.7147 -3.1981 -3.1867 -0.8120 -0.8056 -0.1291 -0.1246 0.3810 0.3861 0.7625 0.7749 1.5487 1.5569 1.8072 1.8159 2.4149 2.4226 2.6263 2.6307 12.1394 12.1480 12.7253 12.7342 13.4840 13.4856 13.7696 13.7759 k = 0.2346 0.5775 0.2633 ( 2328 PWs) bands (ev): -17.7403 -17.7403 -16.2678 -16.2643 -15.2045 -15.2003 -15.1214 -15.1164 -6.4206 -6.4176 -4.7249 -4.7187 -3.7322 -3.7284 -3.2063 -3.1949 -0.8066 -0.8003 -0.1276 -0.1227 0.4022 0.4072 0.7489 0.7621 1.5598 1.5686 1.8341 1.8428 2.4111 2.4187 2.6236 2.6284 12.1316 12.1400 12.7317 12.7406 13.4755 13.4771 13.7757 13.7819 k = 0.2222 0.5735 0.2687 ( 2326 PWs) bands (ev): -17.7541 -17.7541 -16.2524 -16.2490 -15.2011 -15.1969 -15.1169 -15.1118 -6.4665 -6.4637 -4.6927 -4.6867 -3.7450 -3.7412 -3.2155 -3.2043 -0.8001 -0.7939 -0.1257 -0.1204 0.4227 0.4277 0.7363 0.7504 1.5680 1.5772 1.8594 1.8678 2.4092 2.4166 2.6218 2.6271 12.1249 12.1331 12.7385 12.7473 13.4657 13.4673 13.7808 13.7868 k = 0.2099 0.5694 0.2742 ( 2322 PWs) bands (ev): -17.7678 -17.7677 -16.2373 -16.2340 -15.1975 -15.1933 -15.1122 -15.1070 -6.5115 -6.5087 -4.6616 -4.6556 -3.7568 -3.7529 -3.2257 -3.2146 -0.7926 -0.7865 -0.1235 -0.1178 0.4418 0.4469 0.7258 0.7407 1.5728 1.5825 1.8829 1.8911 2.4090 2.4161 2.6215 2.6272 12.1192 12.1271 12.7457 12.7543 13.4547 13.4564 13.7850 13.7908 k = 0.1975 0.5654 0.2797 ( 2319 PWs) bands (ev): -17.7812 -17.7811 -16.2226 -16.2194 -15.1938 -15.1897 -15.1073 -15.1022 -6.5553 -6.5526 -4.6317 -4.6259 -3.7673 -3.7634 -3.2368 -3.2258 -0.7842 -0.7783 -0.1210 -0.1151 0.4583 0.4636 0.7185 0.7343 1.5740 1.5840 1.9048 1.9127 2.4101 2.4170 2.6227 2.6288 12.1145 12.1222 12.7532 12.7616 13.4428 13.4446 13.7882 13.7938 k = 0.1852 0.5614 0.2852 ( 2320 PWs) bands (ev): -17.7941 -17.7941 -16.2085 -16.2055 -15.1900 -15.1861 -15.1022 -15.0972 -6.5975 -6.5950 -4.6034 -4.5978 -3.7764 -3.7723 -3.2488 -3.2380 -0.7751 -0.7694 -0.1185 -0.1123 0.4711 0.4765 0.7161 0.7326 1.5713 1.5816 1.9251 1.9326 2.4121 2.4188 2.6258 2.6322 12.1108 12.1182 12.7608 12.7690 13.4302 13.4321 13.7906 13.7960 k = 0.1728 0.5574 0.2906 ( 2322 PWs) bands (ev): -17.8066 -17.8066 -16.1951 -16.1922 -15.1863 -15.1825 -15.0971 -15.0921 -6.6381 -6.6357 -4.5767 -4.5713 -3.7837 -3.7795 -3.2615 -3.2508 -0.7655 -0.7599 -0.1159 -0.1095 0.4791 0.4843 0.7200 0.7366 1.5648 1.5753 1.9441 1.9511 2.4144 2.4209 2.6311 2.6376 12.1080 12.1150 12.7685 12.7765 13.4172 13.4193 13.7923 13.7974 k = 0.1605 0.5534 0.2961 ( 2321 PWs) bands (ev): -17.8186 -17.8185 -16.1825 -16.1797 -15.1827 -15.1791 -15.0918 -15.0870 -6.6768 -6.6745 -4.5520 -4.5469 -3.7892 -3.7849 -3.2748 -3.2644 -0.7553 -0.7500 -0.1133 -0.1067 0.4817 0.4865 0.7307 0.7470 1.5545 1.5651 1.9617 1.9683 2.4165 2.4229 2.6384 2.6449 12.1061 12.1127 12.7762 12.7839 13.4039 13.4062 13.7933 13.7982 k = 0.1481 0.5494 0.3016 ( 2327 PWs) bands (ev): -17.8299 -17.8298 -16.1706 -16.1680 -15.1791 -15.1757 -15.0865 -15.0820 -6.7133 -6.7112 -4.5294 -4.5245 -3.7929 -3.7885 -3.2887 -3.2785 -0.7449 -0.7398 -0.1107 -0.1042 0.4794 0.4837 0.7479 0.7636 1.5406 1.5513 1.9782 1.9843 2.4183 2.4243 2.6477 2.6541 12.1049 12.1112 12.7837 12.7910 13.3907 13.3931 13.7938 13.7984 k = 0.1358 0.5454 0.3070 ( 2327 PWs) bands (ev): -17.8405 -17.8404 -16.1596 -16.1572 -15.1758 -15.1726 -15.0813 -15.0769 -6.7475 -6.7456 -4.5089 -4.5044 -3.7945 -3.7900 -3.3029 -3.2931 -0.7343 -0.7295 -0.1083 -0.1018 0.4732 0.4770 0.7705 0.7854 1.5234 1.5341 1.9936 1.9992 2.4194 2.4251 2.6587 2.6648 12.1045 12.1103 12.7909 12.7979 13.3776 13.3801 13.7940 13.7983 k = 0.1234 0.5414 0.3125 ( 2326 PWs) bands (ev): -17.8503 -17.8503 -16.1495 -16.1473 -15.1726 -15.1696 -15.0761 -15.0720 -6.7793 -6.7775 -4.4906 -4.4865 -3.7942 -3.7897 -3.3174 -3.3079 -0.7237 -0.7192 -0.1061 -0.0996 0.4643 0.4676 0.7971 0.8112 1.5032 1.5139 2.0079 2.0130 2.4198 2.4250 2.6710 2.6766 12.1047 12.1101 12.7978 12.8044 13.3650 13.3676 13.7939 13.7979 k = 0.1111 0.5374 0.3180 ( 2328 PWs) bands (ev): -17.8594 -17.8593 -16.1404 -16.1383 -15.1696 -15.1669 -15.0711 -15.0673 -6.8085 -6.8069 -4.4746 -4.4709 -3.7921 -3.7875 -3.3319 -3.3229 -0.7134 -0.7092 -0.1039 -0.0977 0.4538 0.4569 0.8267 0.8401 1.4804 1.4911 2.0211 2.0257 2.4195 2.4243 2.6839 2.6890 12.1054 12.1103 12.8042 12.8103 13.3529 13.3555 13.7936 13.7973 k = 0.0988 0.5334 0.3234 ( 2330 PWs) bands (ev): -17.8676 -17.8675 -16.1321 -16.1303 -15.1669 -15.1645 -15.0663 -15.0629 -6.8350 -6.8335 -4.4608 -4.4575 -3.7884 -3.7838 -3.3463 -3.3378 -0.7034 -0.6996 -0.1020 -0.0960 0.4427 0.4456 0.8583 0.8710 1.4554 1.4660 2.0332 2.0372 2.4188 2.4231 2.6971 2.7016 12.1065 12.1110 12.8101 12.8157 13.3416 13.3442 13.7932 13.7966 k = 0.0864 0.5294 0.3289 ( 2326 PWs) bands (ev): -17.8749 -17.8748 -16.1249 -16.1232 -15.1644 -15.1623 -15.0618 -15.0588 -6.8586 -6.8574 -4.4492 -4.4462 -3.7833 -3.7788 -3.3603 -3.3523 -0.6940 -0.6905 -0.1003 -0.0947 0.4316 0.4344 0.8913 0.9034 1.4286 1.4390 2.0440 2.0476 2.4177 2.4215 2.7099 2.7138 12.1079 12.1119 12.8153 12.8204 13.3312 13.3337 13.7928 13.7959 k = 0.0741 0.5254 0.3344 ( 2324 PWs) bands (ev): -17.8813 -17.8812 -16.1185 -16.1171 -15.1623 -15.1604 -15.0577 -15.0551 -6.8793 -6.8782 -4.4395 -4.4370 -3.7772 -3.7729 -3.3735 -3.3663 -0.6853 -0.6823 -0.0987 -0.0936 0.4212 0.4238 0.9249 0.9364 1.4005 1.4107 2.0536 2.0567 2.4164 2.4197 2.7219 2.7253 12.1095 12.1130 12.8199 12.8243 13.3220 13.3243 13.7924 13.7951 k = 0.0617 0.5214 0.3399 ( 2327 PWs) bands (ev): -17.8867 -17.8867 -16.1132 -16.1120 -15.1604 -15.1589 -15.0541 -15.0519 -6.8970 -6.8960 -4.4316 -4.4296 -3.7706 -3.7666 -3.3857 -3.3793 -0.6776 -0.6750 -0.0973 -0.0929 0.4119 0.4142 0.9587 0.9696 1.3716 1.3816 2.0619 2.0645 2.4151 2.4179 2.7327 2.7355 12.1111 12.1141 12.8238 12.8276 13.3139 13.3160 13.7922 13.7945 k = 0.0494 0.5174 0.3453 ( 2325 PWs) bands (ev): -17.8912 -17.8912 -16.1088 -16.1078 -15.1588 -15.1576 -15.0510 -15.0492 -6.9115 -6.9107 -4.4254 -4.4238 -3.7639 -3.7605 -3.3964 -3.3910 -0.6709 -0.6688 -0.0961 -0.0924 0.4039 0.4058 0.9917 1.0018 1.3428 1.3523 2.0688 2.0709 2.4139 2.4161 2.7421 2.7443 12.1127 12.1151 12.8270 12.8301 13.3073 13.3090 13.7920 13.7939 k = 0.0370 0.5134 0.3508 ( 2325 PWs) bands (ev): -17.8947 -17.8947 -16.1053 -16.1046 -15.1576 -15.1567 -15.0484 -15.0471 -6.9228 -6.9223 -4.4208 -4.4196 -3.7578 -3.7550 -3.4052 -3.4009 -0.6655 -0.6639 -0.0950 -0.0921 0.3975 0.3990 1.0230 1.0320 1.3154 1.3239 2.0743 2.0759 2.4129 2.4146 2.7497 2.7513 12.1141 12.1159 12.8296 12.8320 13.3020 13.3034 13.7919 13.7934 k = 0.0247 0.5093 0.3563 ( 2324 PWs) bands (ev): -17.8973 -17.8972 -16.1028 -16.1024 -15.1566 -15.1560 -15.0465 -15.0456 -6.9309 -6.9306 -4.4175 -4.4167 -3.7527 -3.7508 -3.4116 -3.4087 -0.6614 -0.6604 -0.0941 -0.0921 0.3929 0.3939 1.0507 1.0580 1.2914 1.2983 2.0784 2.0794 2.4122 2.4133 2.7553 2.7564 12.1153 12.1165 12.8315 12.8331 13.2983 13.2992 13.7920 13.7929 k = 0.0123 0.5053 0.3617 ( 2318 PWs) bands (ev): -17.8988 -17.8988 -16.1013 -16.1010 -15.1560 -15.1557 -15.0453 -15.0448 -6.9358 -6.9356 -4.4155 -4.4151 -3.7493 -3.7482 -3.4153 -3.4138 -0.6589 -0.6583 -0.0933 -0.0923 0.3902 0.3907 1.0717 1.0760 1.2745 1.2787 2.0809 2.0815 2.4119 2.4125 2.7588 2.7594 12.1162 12.1168 12.8329 12.8337 13.2962 13.2966 13.7921 13.7926 k = 0.0000 0.5013 0.3672 ( 2318 PWs) bands (ev): -17.8993 -17.8993 -16.1007 -16.1007 -15.1557 -15.1557 -15.0447 -15.0447 -6.9373 -6.9373 -4.4147 -4.4147 -3.7477 -3.7477 -3.4161 -3.4161 -0.6578 -0.6578 -0.0928 -0.0928 0.3895 0.3895 1.0812 1.0812 1.2696 1.2696 2.0820 2.0820 2.4120 2.4120 2.7602 2.7602 12.1167 12.1167 12.8336 12.8336 13.2956 13.2956 13.7923 13.7923 k = 0.0000 0.5013 0.3672 ( 2318 PWs) bands (ev): -17.8993 -17.8993 -16.1007 -16.1007 -15.1557 -15.1557 -15.0447 -15.0447 -6.9373 -6.9373 -4.4147 -4.4147 -3.7477 -3.7477 -3.4161 -3.4161 -0.6578 -0.6578 -0.0928 -0.0928 0.3895 0.3895 1.0812 1.0812 1.2696 1.2696 2.0820 2.0820 2.4120 2.4120 2.7602 2.7602 12.1167 12.1167 12.8336 12.8336 13.2956 13.2956 13.7923 13.7923 k = 0.0069 0.4939 0.3774 ( 2322 PWs) bands (ev): -17.8988 -17.8988 -16.1013 -16.1011 -15.1561 -15.1557 -15.0448 -15.0447 -6.9364 -6.9362 -4.4178 -4.4167 -3.7466 -3.7455 -3.4158 -3.4155 -0.6586 -0.6583 -0.0938 -0.0932 0.3891 0.3898 1.0823 1.0831 1.2700 1.2703 2.0810 2.0818 2.4119 2.4130 2.7597 2.7599 12.1177 12.1177 12.8335 12.8341 13.2929 13.2942 13.7925 13.7943 k = 0.0139 0.4864 0.3876 ( 2322 PWs) bands (ev): -17.8973 -17.8972 -16.1030 -16.1025 -15.1570 -15.1562 -15.0451 -15.0449 -6.9332 -6.9328 -4.4260 -4.4239 -3.7423 -3.7400 -3.4146 -3.4140 -0.6606 -0.6600 -0.0963 -0.0951 0.3886 0.3901 1.0864 1.0879 1.2713 1.2719 2.0789 2.0806 2.4127 2.4150 2.7583 2.7588 12.1206 12.1207 12.8337 12.8350 13.2862 13.2887 13.7946 13.7982 k = 0.0208 0.4789 0.3978 ( 2324 PWs) bands (ev): -17.8948 -17.8948 -16.1058 -16.1050 -15.1583 -15.1571 -15.0454 -15.0452 -6.9280 -6.9274 -4.4390 -4.4359 -3.7350 -3.7317 -3.4125 -3.4117 -0.6637 -0.6629 -0.1003 -0.0985 0.3882 0.3904 1.0933 1.0955 1.2736 1.2745 2.0757 2.0782 2.4144 2.4178 2.7561 2.7569 12.1256 12.1257 12.8344 12.8362 13.2759 13.2795 13.7985 13.8037 k = 0.0278 0.4715 0.4080 ( 2320 PWs) bands (ev): -17.8913 -17.8913 -16.1096 -16.1086 -15.1600 -15.1585 -15.0460 -15.0457 -6.9206 -6.9198 -4.4564 -4.4525 -3.7250 -3.7207 -3.4096 -3.4085 -0.6680 -0.6669 -0.1056 -0.1033 0.3879 0.3908 1.1028 1.1057 1.2770 1.2781 2.0715 2.0747 2.4170 2.4214 2.7531 2.7542 12.1325 12.1327 12.8354 12.8378 13.2624 13.2669 13.8037 13.8102 k = 0.0347 0.4640 0.4182 ( 2324 PWs) bands (ev): -17.8869 -17.8868 -16.1144 -16.1132 -15.1621 -15.1602 -15.0466 -15.0463 -6.9111 -6.9101 -4.4778 -4.4732 -3.7127 -3.7075 -3.4059 -3.4045 -0.6732 -0.6719 -0.1123 -0.1094 0.3877 0.3912 1.1148 1.1182 1.2813 1.2827 2.0663 2.0702 2.4205 2.4259 2.7493 2.7507 12.1414 12.1416 12.8366 12.8397 13.2464 13.2517 13.8094 13.8173 k = 0.0417 0.4565 0.4284 ( 2322 PWs) bands (ev): -17.8814 -17.8814 -16.1203 -16.1188 -15.1645 -15.1623 -15.0474 -15.0470 -6.8995 -6.8983 -4.5028 -4.4976 -3.6985 -3.6927 -3.4014 -3.3997 -0.6792 -0.6777 -0.1202 -0.1169 0.3878 0.3918 1.1288 1.1326 1.2866 1.2884 2.0602 2.0647 2.4249 2.4311 2.7448 2.7464 12.1522 12.1524 12.8380 12.8419 13.2285 13.2343 13.8153 13.8242 k = 0.0486 0.4490 0.4386 ( 2328 PWs) bands (ev): -17.8751 -17.8750 -16.1272 -16.1255 -15.1671 -15.1646 -15.0484 -15.0479 -6.8859 -6.8846 -4.5309 -4.5252 -3.6829 -3.6764 -3.3962 -3.3942 -0.6859 -0.6841 -0.1294 -0.1255 0.3881 0.3926 1.1444 1.1484 1.2930 1.2951 2.0533 2.0583 2.4300 2.4370 2.7395 2.7415 12.1647 12.1650 12.8395 12.8441 13.2091 13.2153 13.8205 13.8303 k = 0.0556 0.4416 0.4488 ( 2332 PWs) bands (ev): -17.8678 -17.8677 -16.1352 -16.1333 -15.1700 -15.1672 -15.0495 -15.0490 -6.8703 -6.8688 -4.5618 -4.5556 -3.6663 -3.6593 -3.3904 -3.3881 -0.6931 -0.6911 -0.1396 -0.1352 0.3888 0.3937 1.1610 1.1652 1.3006 1.3030 2.0457 2.0511 2.4358 2.4435 2.7335 2.7358 12.1790 12.1794 12.8410 12.8464 13.1890 13.1954 13.8246 13.8352 k = 0.0625 0.4341 0.4590 ( 2328 PWs) bands (ev): -17.8597 -17.8596 -16.1442 -16.1420 -15.1731 -15.1700 -15.0507 -15.0503 -6.8527 -6.8510 -4.5950 -4.5886 -3.6489 -3.6414 -3.3839 -3.3813 -0.7005 -0.6983 -0.1508 -0.1460 0.3899 0.3951 1.1781 1.1821 1.3095 1.3124 2.0377 2.0434 2.4423 2.4505 2.7269 2.7296 12.1950 12.1954 12.8424 12.8486 13.1685 13.1751 13.8271 13.8384 k = 0.0694 0.4266 0.4692 ( 2324 PWs) bands (ev): -17.8506 -17.8505 -16.1542 -16.1518 -15.1763 -15.1729 -15.0521 -15.0517 -6.8332 -6.8314 -4.6304 -4.6236 -3.6311 -3.6232 -3.3769 -3.3741 -0.7080 -0.7056 -0.1628 -0.1576 0.3915 0.3971 1.1950 1.1984 1.3199 1.3234 2.0294 2.0353 2.4492 2.4578 2.7198 2.7228 12.2126 12.2131 12.8435 12.8505 13.1482 13.1548 13.8276 13.8394 k = 0.0764 0.4192 0.4794 ( 2322 PWs) bands (ev): -17.8407 -17.8406 -16.1651 -16.1626 -15.1796 -15.1759 -15.0537 -15.0532 -6.8119 -6.8098 -4.6676 -4.6606 -3.6130 -3.6049 -3.3696 -3.3664 -0.7154 -0.7127 -0.1757 -0.1701 0.3937 0.3995 1.2107 1.2135 1.3320 1.3364 2.0211 2.0272 2.4564 2.4654 2.7120 2.7154 12.2317 12.2322 12.8441 12.8520 13.1286 13.1351 13.8258 13.8380 k = 0.0833 0.4117 0.4896 ( 2320 PWs) bands (ev): -17.8301 -17.8300 -16.1770 -16.1743 -15.1828 -15.1789 -15.0554 -15.0550 -6.7887 -6.7865 -4.7064 -4.6992 -3.5950 -3.5866 -3.3618 -3.3584 -0.7224 -0.7196 -0.1892 -0.1832 0.3965 0.4025 1.2245 1.2264 1.3460 1.3514 2.0132 2.0194 2.4639 2.4731 2.7039 2.7077 12.2521 12.2527 12.8441 12.8529 13.1099 13.1164 13.8214 13.8340 k = 0.0903 0.4042 0.4998 ( 2320 PWs) bands (ev): -17.8187 -17.8186 -16.1899 -16.1870 -15.1860 -15.1819 -15.0573 -15.0569 -6.7639 -6.7615 -4.7466 -4.7393 -3.5771 -3.5686 -3.3538 -3.3501 -0.7290 -0.7260 -0.2033 -0.1970 0.4000 0.4061 1.2358 1.2368 1.3618 1.3684 2.0059 2.0122 2.4713 2.4808 2.6954 2.6996 12.2737 12.2744 12.8432 12.8531 13.0927 13.0991 13.8144 13.8273 k = 0.0972 0.3967 0.5100 ( 2324 PWs) bands (ev): -17.8066 -17.8064 -16.2036 -16.2006 -15.1892 -15.1848 -15.0593 -15.0589 -6.7373 -6.7348 -4.7880 -4.7807 -3.5596 -3.5509 -3.3456 -3.3416 -0.7349 -0.7317 -0.2179 -0.2113 0.4042 0.4105 1.2440 1.2447 1.3793 1.3869 1.9998 2.0061 2.4786 2.4881 2.6866 2.6913 12.2965 12.2973 12.8414 12.8522 13.0771 13.0834 13.8048 13.8179 k = 0.1042 0.3893 0.5202 ( 2330 PWs) bands (ev): -17.7938 -17.7937 -16.2181 -16.2150 -15.1921 -15.1876 -15.0615 -15.0611 -6.7091 -6.7065 -4.8306 -4.8232 -3.5424 -3.5336 -3.3374 -3.3331 -0.7400 -0.7365 -0.2329 -0.2260 0.4093 0.4156 1.2487 1.2499 1.3979 1.4064 1.9951 2.0016 2.4855 2.4951 2.6776 2.6829 12.3203 12.3211 12.8385 12.8502 13.0634 13.0697 13.7925 13.8058 k = 0.1111 0.3818 0.5304 ( 2326 PWs) bands (ev): -17.7805 -17.7803 -16.2334 -16.2301 -15.1949 -15.1902 -15.0637 -15.0635 -6.6794 -6.6766 -4.8741 -4.8666 -3.5257 -3.5168 -3.3291 -3.3246 -0.7441 -0.7404 -0.2482 -0.2410 0.4151 0.4215 1.2504 1.2521 1.4170 1.4262 1.9924 1.9991 2.4918 2.5014 2.6686 2.6745 12.3448 12.3458 12.8346 12.8472 13.0518 13.0581 13.7778 13.7911 k = 0.1181 0.3743 0.5406 ( 2328 PWs) bands (ev): -17.7666 -17.7665 -16.2493 -16.2460 -15.1975 -15.1926 -15.0661 -15.0659 -6.6482 -6.6453 -4.9185 -4.9110 -3.5096 -3.5006 -3.3210 -3.3161 -0.7471 -0.7432 -0.2638 -0.2564 0.4219 0.4283 1.2490 1.2512 1.4362 1.4459 1.9921 1.9989 2.4974 2.5070 2.6596 2.6662 12.3700 12.3711 12.8297 12.8430 13.0423 13.0487 13.7607 13.7741 k = 0.1250 0.3669 0.5508 ( 2330 PWs) bands (ev): -17.7523 -17.7522 -16.2659 -16.2624 -15.1999 -15.1948 -15.0687 -15.0685 -6.6156 -6.6125 -4.9636 -4.9561 -3.4941 -3.4851 -3.3130 -3.3079 -0.7490 -0.7449 -0.2795 -0.2719 0.4295 0.4360 1.2445 1.2470 1.4550 1.4650 1.9943 2.0014 2.5020 2.5115 2.6509 2.6581 12.3956 12.3969 12.8240 12.8379 13.0348 13.0413 13.7416 13.7551 k = 0.1319 0.3594 0.5610 ( 2332 PWs) bands (ev): -17.7376 -17.7375 -16.2829 -16.2794 -15.2019 -15.1968 -15.0713 -15.0711 -6.5816 -6.5785 -5.0094 -5.0018 -3.4793 -3.4703 -3.3053 -3.3000 -0.7496 -0.7452 -0.2953 -0.2875 0.4382 0.4446 1.2369 1.2396 1.4730 1.4832 1.9994 2.0068 2.5056 2.5149 2.6426 2.6504 12.4215 12.4230 12.8179 12.8321 13.0291 13.0357 13.7207 13.7341 k = 0.1389 0.3519 0.5712 ( 2334 PWs) bands (ev): -17.7227 -17.7225 -16.3003 -16.2967 -15.2038 -15.1985 -15.0740 -15.0738 -6.5464 -6.5432 -5.0557 -5.0482 -3.4651 -3.4561 -3.2979 -3.2924 -0.7489 -0.7442 -0.3112 -0.3033 0.4479 0.4543 1.2261 1.2289 1.4901 1.5003 2.0074 2.0152 2.5079 2.5170 2.6348 2.6432 12.4474 12.4492 12.8117 12.8260 13.0249 13.0316 13.6982 13.7116 k = 0.1458 0.3444 0.5814 ( 2340 PWs) bands (ev): -17.7076 -17.7074 -16.3180 -16.3143 -15.2053 -15.1999 -15.0767 -15.0766 -6.5100 -6.5067 -5.1026 -5.0950 -3.4516 -3.4427 -3.2909 -3.2852 -0.7469 -0.7419 -0.3271 -0.3191 0.4587 0.4651 1.2121 1.2150 1.5062 1.5163 2.0182 2.0263 2.5089 2.5177 2.6276 2.6365 12.4732 12.4752 12.8056 12.8199 13.0219 13.0287 13.6745 13.6878 k = 0.1528 0.3370 0.5916 ( 2340 PWs) bands (ev): -17.6924 -17.6923 -16.3357 -16.3320 -15.2065 -15.2011 -15.0796 -15.0794 -6.4725 -6.4691 -5.1498 -5.1423 -3.4389 -3.4300 -3.2843 -3.2785 -0.7435 -0.7382 -0.3430 -0.3349 0.4706 0.4770 1.1951 1.1980 1.5213 1.5311 2.0315 2.0400 2.5086 2.5170 2.6210 2.6303 12.4985 12.5009 12.8000 12.8141 13.0200 13.0269 13.6499 13.6631 k = 0.1597 0.3295 0.6018 ( 2338 PWs) bands (ev): -17.6772 -17.6771 -16.3534 -16.3497 -15.2075 -15.2020 -15.0824 -15.0822 -6.4340 -6.4304 -5.1973 -5.1898 -3.4268 -3.4181 -3.2783 -3.2723 -0.7388 -0.7332 -0.3589 -0.3507 0.4837 0.4901 1.1753 1.1781 1.5354 1.5449 2.0470 2.0558 2.5072 2.5152 2.6149 2.6245 12.5232 12.5260 12.7951 12.8088 13.0188 13.0258 13.6246 13.6377 k = 0.1667 0.3220 0.6120 ( 2342 PWs) bands (ev): -17.6623 -17.6622 -16.3709 -16.3671 -15.2083 -15.2026 -15.0852 -15.0850 -6.3945 -6.3909 -5.2451 -5.2376 -3.4155 -3.4069 -3.2727 -3.2667 -0.7329 -0.7269 -0.3747 -0.3665 0.4980 0.5045 1.1528 1.1556 1.5486 1.5576 2.0642 2.0732 2.5049 2.5124 2.6092 2.6189 12.5470 12.5503 12.7910 12.8042 13.0183 13.0255 13.5991 13.6119 k = 0.1736 0.3146 0.6222 ( 2344 PWs) bands (ev): -17.6477 -17.6476 -16.3881 -16.3843 -15.2087 -15.2031 -15.0880 -15.0878 -6.3542 -6.3505 -5.2931 -5.2856 -3.4050 -3.3965 -3.2678 -3.2616 -0.7257 -0.7193 -0.3904 -0.3822 0.5136 0.5200 1.1280 1.1307 1.5609 1.5694 2.0826 2.0918 2.5020 2.5089 2.6037 2.6133 12.5696 12.5735 12.7879 12.8004 13.0184 13.0258 13.5735 13.5860 k = 0.1806 0.3071 0.6324 ( 2348 PWs) bands (ev): -17.6335 -17.6335 -16.4047 -16.4008 -15.2090 -15.2033 -15.0908 -15.0905 -6.3130 -6.3093 -5.3411 -5.3336 -3.3952 -3.3869 -3.2633 -3.2572 -0.7175 -0.7106 -0.4060 -0.3979 0.5304 0.5369 1.1012 1.1039 1.5723 1.5803 2.1016 2.1110 2.4988 2.5053 2.5981 2.6076 12.5909 12.5956 12.7856 12.7972 13.0191 13.0267 13.5482 13.5603 k = 0.1875 0.2996 0.6426 ( 2344 PWs) bands (ev): -17.6200 -17.6200 -16.4205 -16.4166 -15.2091 -15.2033 -15.0934 -15.0931 -6.2713 -6.2675 -5.3891 -5.3816 -3.3862 -3.3782 -3.2595 -3.2533 -0.7083 -0.7009 -0.4215 -0.4133 0.5486 0.5551 1.0727 1.0754 1.5829 1.5904 2.1208 2.1303 2.4957 2.5017 2.5923 2.6015 12.6107 12.6163 12.7842 12.7947 13.0203 13.0283 13.5236 13.5352 k = 0.1944 0.2921 0.6528 ( 2342 PWs) bands (ev): -17.6073 -17.6072 -16.4354 -16.4315 -15.2090 -15.2032 -15.0959 -15.0956 -6.2290 -6.2252 -5.4369 -5.4293 -3.3779 -3.3702 -3.2561 -3.2501 -0.6983 -0.6903 -0.4368 -0.4287 0.5680 0.5747 1.0430 1.0456 1.5925 1.5995 2.1397 2.1491 2.4932 2.4988 2.5861 2.5949 12.6287 12.6355 12.7835 12.7926 13.0222 13.0304 13.4999 13.5110 k = 0.2014 0.2847 0.6630 ( 2346 PWs) bands (ev): -17.5955 -17.5955 -16.4492 -16.4453 -15.2088 -15.2030 -15.0982 -15.0979 -6.1864 -6.1827 -5.4844 -5.4768 -3.3705 -3.3631 -3.2533 -3.2474 -0.6876 -0.6790 -0.4519 -0.4437 0.5886 0.5955 1.0124 1.0148 1.6013 1.6078 2.1576 2.1668 2.4914 2.4967 2.5793 2.5877 12.6449 12.6532 12.7830 12.7906 13.0247 13.0333 13.4775 13.4879 k = 0.2083 0.2772 0.6732 ( 2348 PWs) bands (ev): -17.5849 -17.5849 -16.4616 -16.4577 -15.2086 -15.2027 -15.1003 -15.1000 -6.1437 -6.1400 -5.5313 -5.5236 -3.3640 -3.3569 -3.2510 -3.2452 -0.6764 -0.6671 -0.4667 -0.4585 0.6104 0.6176 0.9812 0.9836 1.6091 1.6151 2.1743 2.1832 2.4907 2.4958 2.5720 2.5799 12.6594 12.6694 12.7827 12.7885 13.0279 13.0367 13.4569 13.4663 k = 0.2153 0.2697 0.6834 ( 2348 PWs) bands (ev): -17.5756 -17.5755 -16.4725 -16.4686 -15.2083 -15.2024 -15.1021 -15.1019 -6.1012 -6.0976 -5.5774 -5.5695 -3.3583 -3.3516 -3.2492 -3.2435 -0.6651 -0.6550 -0.4810 -0.4727 0.6333 0.6409 0.9499 0.9522 1.6158 1.6214 2.1891 2.1975 2.4913 2.4963 2.5642 2.5715 12.6720 12.6840 12.7822 12.7861 13.0315 13.0405 13.4384 13.4467 k = 0.2222 0.2623 0.6936 ( 2344 PWs) bands (ev): -17.5677 -17.5677 -16.4817 -16.4778 -15.2079 -15.2021 -15.1037 -15.1035 -6.0595 -6.0562 -5.6219 -5.6138 -3.3536 -3.3472 -3.2477 -3.2422 -0.6540 -0.6428 -0.4946 -0.4860 0.6568 0.6651 0.9188 0.9212 1.6214 1.6266 2.2018 2.2097 2.4933 2.4985 2.5560 2.5626 12.6828 12.6970 12.7812 12.7832 13.0354 13.0445 13.4224 13.4295 k = 0.2292 0.2548 0.7038 ( 2340 PWs) bands (ev): -17.5614 -17.5614 -16.4890 -16.4851 -15.2076 -15.2018 -15.1050 -15.1048 -6.0198 -6.0169 -5.6638 -5.6554 -3.3498 -3.3437 -3.2466 -3.2413 -0.6437 -0.6312 -0.5072 -0.4981 0.6806 0.6898 0.8886 0.8915 1.6259 1.6307 2.2121 2.2192 2.4966 2.5023 2.5476 2.5535 12.6916 12.7083 12.7791 12.7808 13.0391 13.0483 13.4096 13.4152 k = 0.2361 0.2473 0.7140 ( 2336 PWs) bands (ev): -17.5568 -17.5568 -16.4944 -16.4904 -15.2074 -15.2015 -15.1059 -15.1058 -5.9843 -5.9818 -5.7010 -5.6920 -3.3471 -3.3413 -3.2458 -3.2407 -0.6349 -0.6211 -0.5180 -0.5081 0.7032 0.7141 0.8602 0.8645 1.6292 1.6337 2.2196 2.2261 2.5009 2.5076 2.5394 2.5446 12.6983 12.7175 12.7757 12.7795 13.0423 13.0514 13.4003 13.4042 k = 0.2431 0.2399 0.7242 ( 2338 PWs) bands (ev): -17.5540 -17.5540 -16.4976 -16.4937 -15.2073 -15.2014 -15.1064 -15.1064 -5.9574 -5.9556 -5.7288 -5.7191 -3.3454 -3.3398 -3.2454 -3.2403 -0.6288 -0.6137 -0.5257 -0.5149 0.7217 0.7352 0.8366 0.8433 1.6311 1.6355 2.2242 2.2302 2.5052 2.5138 2.5318 2.5370 12.7024 12.7238 12.7728 12.7785 13.0444 13.0535 13.3948 13.3971 k = 0.2500 0.2324 0.7344 ( 2328 PWs) bands (ev): -17.5531 -17.5530 -16.4987 -16.4947 -15.2072 -15.2013 -15.1066 -15.1066 -5.9469 -5.9454 -5.7396 -5.7297 -3.3448 -3.3393 -3.2452 -3.2402 -0.6266 -0.6109 -0.5286 -0.5174 0.7296 0.7450 0.8260 0.8345 1.6318 1.6361 2.2257 2.2316 2.5073 2.5182 2.5272 2.5337 12.7039 12.7262 12.7716 12.7782 13.0451 13.0542 13.3933 13.3944 k = 0.2500 0.2324 0.7344 ( 2328 PWs) bands (ev): -17.5531 -17.5530 -16.4987 -16.4947 -15.2072 -15.2013 -15.1066 -15.1066 -5.9469 -5.9454 -5.7396 -5.7297 -3.3448 -3.3393 -3.2452 -3.2402 -0.6266 -0.6109 -0.5286 -0.5174 0.7296 0.7450 0.8260 0.8345 1.6318 1.6361 2.2257 2.2316 2.5073 2.5182 2.5272 2.5337 12.7039 12.7262 12.7716 12.7782 13.0451 13.0542 13.3933 13.3944 k = 0.2576 0.2394 0.7248 ( 2340 PWs) bands (ev): -17.5535 -17.5534 -16.4983 -16.4943 -15.2072 -15.2013 -15.1065 -15.1065 -5.9517 -5.9501 -5.7350 -5.7252 -3.3446 -3.3390 -3.2450 -3.2400 -0.6277 -0.6123 -0.5272 -0.5163 0.7250 0.7394 0.8303 0.8378 1.6320 1.6363 2.2250 2.2309 2.5064 2.5158 2.5304 2.5358 12.7036 12.7255 12.7720 12.7782 13.0448 13.0539 13.3948 13.3965 k = 0.2652 0.2465 0.7152 ( 2344 PWs) bands (ev): -17.5546 -17.5546 -16.4970 -16.4930 -15.2073 -15.2014 -15.1063 -15.1062 -5.9645 -5.9625 -5.7226 -5.7132 -3.3439 -3.3382 -3.2442 -3.2392 -0.6312 -0.6167 -0.5227 -0.5125 0.7121 0.7244 0.8412 0.8467 1.6326 1.6370 2.2231 2.2292 2.5036 2.5110 2.5374 2.5423 12.7029 12.7235 12.7733 12.7783 13.0439 13.0530 13.3996 13.4023 k = 0.2727 0.2535 0.7056 ( 2345 PWs) bands (ev): -17.5563 -17.5563 -16.4950 -16.4911 -15.2073 -15.2015 -15.1059 -15.1058 -5.9822 -5.9798 -5.7053 -5.6964 -3.3426 -3.3368 -3.2430 -3.2380 -0.6373 -0.6242 -0.5149 -0.5057 0.6931 0.7036 0.8549 0.8589 1.6338 1.6382 2.2203 2.2265 2.4994 2.5054 2.5466 2.5518 12.7015 12.7202 12.7759 12.7790 13.0426 13.0517 13.4075 13.4110 k = 0.2803 0.2605 0.6959 ( 2345 PWs) bands (ev): -17.5585 -17.5584 -16.4925 -16.4886 -15.2074 -15.2017 -15.1054 -15.1053 -6.0023 -5.9997 -5.6855 -5.6770 -3.3406 -3.3348 -3.2414 -3.2364 -0.6458 -0.6341 -0.5043 -0.4961 0.6700 0.6791 0.8692 0.8722 1.6355 1.6400 2.2170 2.2233 2.4944 2.4996 2.5575 2.5631 12.6993 12.7158 12.7796 12.7809 13.0411 13.0502 13.4180 13.4223 k = 0.2879 0.2676 0.6863 ( 2344 PWs) bands (ev): -17.5610 -17.5610 -16.4897 -16.4858 -15.2076 -15.2019 -15.1048 -15.1047 -6.0233 -6.0205 -5.6647 -5.6564 -3.3381 -3.3322 -3.2395 -3.2345 -0.6562 -0.6458 -0.4917 -0.4843 0.6439 0.6521 0.8826 0.8853 1.6379 1.6425 2.2134 2.2197 2.4889 2.4936 2.5695 2.5755 12.6962 12.7104 12.7833 12.7854 13.0396 13.0488 13.4306 13.4355 k = 0.2955 0.2746 0.6767 ( 2344 PWs) bands (ev): -17.5638 -17.5637 -16.4865 -16.4827 -15.2078 -15.2021 -15.1042 -15.1041 -6.0441 -6.0412 -5.6437 -5.6358 -3.3350 -3.3290 -3.2374 -3.2324 -0.6679 -0.6586 -0.4774 -0.4707 0.6157 0.6232 0.8946 0.8973 1.6409 1.6455 2.2098 2.2162 2.4832 2.4875 2.5822 2.5884 12.6922 12.7042 12.7876 12.7918 13.0384 13.0476 13.4448 13.4503 k = 0.3030 0.2817 0.6671 ( 2340 PWs) bands (ev): -17.5666 -17.5666 -16.4832 -16.4794 -15.2080 -15.2024 -15.1037 -15.1034 -6.0640 -6.0610 -5.6232 -5.6155 -3.3313 -3.3252 -3.2350 -3.2300 -0.6804 -0.6720 -0.4621 -0.4558 0.5860 0.5929 0.9046 0.9075 1.6445 1.6491 2.2065 2.2129 2.4772 2.4814 2.5950 2.6014 12.6872 12.6975 12.7934 12.7995 13.0377 13.0468 13.4603 13.4661 k = 0.3106 0.2887 0.6575 ( 2342 PWs) bands (ev): -17.5695 -17.5695 -16.4798 -16.4761 -15.2083 -15.2028 -15.1032 -15.1028 -6.0825 -6.0794 -5.6035 -5.5961 -3.3272 -3.3209 -3.2324 -3.2275 -0.6933 -0.6857 -0.4460 -0.4400 0.5553 0.5617 0.9125 0.9157 1.6488 1.6533 2.2036 2.2100 2.4712 2.4752 2.6077 2.6142 12.6815 12.6903 12.8004 12.8080 13.0375 13.0467 13.4766 13.4828 k = 0.3182 0.2958 0.6479 ( 2339 PWs) bands (ev): -17.5724 -17.5723 -16.4765 -16.4728 -15.2085 -15.2031 -15.1028 -15.1023 -6.0993 -6.0962 -5.5849 -5.5776 -3.3226 -3.3161 -3.2297 -3.2248 -0.7063 -0.6993 -0.4294 -0.4238 0.5240 0.5300 0.9180 0.9214 1.6536 1.6580 2.2013 2.2076 2.4651 2.4692 2.6199 2.6265 12.6753 12.6830 12.8084 12.8173 13.0379 13.0471 13.4936 13.5001 k = 0.3258 0.3028 0.6383 ( 2338 PWs) bands (ev): -17.5751 -17.5750 -16.4733 -16.4697 -15.2088 -15.2035 -15.1025 -15.1019 -6.1139 -6.1109 -5.5676 -5.5605 -3.3176 -3.3110 -3.2269 -3.2221 -0.7191 -0.7126 -0.4128 -0.4075 0.4925 0.4982 0.9208 0.9245 1.6589 1.6633 2.1997 2.2059 2.4591 2.4632 2.6313 2.6381 12.6689 12.6756 12.8172 12.8270 13.0388 13.0481 13.5111 13.5178 k = 0.3333 0.3098 0.6287 ( 2335 PWs) bands (ev): -17.5776 -17.5775 -16.4703 -16.4667 -15.2091 -15.2039 -15.1025 -15.1017 -6.1264 -6.1234 -5.5516 -5.5447 -3.3124 -3.3055 -3.2241 -3.2193 -0.7314 -0.7253 -0.3964 -0.3914 0.4613 0.4667 0.9211 0.9251 1.6648 1.6689 2.1987 2.2048 2.4532 2.4574 2.6418 2.6486 12.6623 12.6683 12.8265 12.8369 13.0403 13.0497 13.5289 13.5358 k = 0.3409 0.3169 0.6190 ( 2338 PWs) bands (ev): -17.5798 -17.5797 -16.4675 -16.4641 -15.2094 -15.2043 -15.1026 -15.1016 -6.1364 -6.1335 -5.5371 -5.5304 -3.3069 -3.2999 -3.2213 -3.2166 -0.7431 -0.7373 -0.3807 -0.3761 0.4310 0.4360 0.9187 0.9230 1.6709 1.6749 2.1984 2.2043 2.4474 2.4519 2.6510 2.6579 12.6559 12.6613 12.8359 12.8467 13.0422 13.0517 13.5470 13.5541 k = 0.3485 0.3239 0.6094 ( 2342 PWs) bands (ev): -17.5817 -17.5817 -16.4651 -16.4617 -15.2097 -15.2047 -15.1030 -15.1018 -6.1438 -6.1410 -5.5242 -5.5176 -3.3014 -3.2941 -3.2187 -3.2138 -0.7538 -0.7483 -0.3660 -0.3618 0.4019 0.4066 0.9137 0.9182 1.6773 1.6810 2.1988 2.2045 2.4418 2.4465 2.6589 2.6659 12.6496 12.6546 12.8451 12.8561 13.0444 13.0539 13.5654 13.5726 k = 0.3561 0.3310 0.5998 ( 2338 PWs) bands (ev): -17.5832 -17.5832 -16.4631 -16.4598 -15.2100 -15.2051 -15.1037 -15.1023 -6.1485 -6.1457 -5.5129 -5.5065 -3.2958 -3.2883 -3.2161 -3.2112 -0.7635 -0.7582 -0.3529 -0.3492 0.3747 0.3791 0.9062 0.9110 1.6838 1.6873 2.1997 2.2052 2.4365 2.4415 2.6654 2.6725 12.6436 12.6483 12.8540 12.8648 13.0467 13.0562 13.5841 13.5914 k = 0.3636 0.3380 0.5902 ( 2338 PWs) bands (ev): -17.5844 -17.5843 -16.4615 -16.4582 -15.2103 -15.2055 -15.1046 -15.1030 -6.1504 -6.1477 -5.5033 -5.4970 -3.2903 -3.2825 -3.2137 -3.2087 -0.7720 -0.7669 -0.3419 -0.3387 0.3500 0.3541 0.8963 0.9014 1.6902 1.6935 2.2010 2.2064 2.4314 2.4367 2.6703 2.6775 12.6380 12.6424 12.8623 12.8727 13.0490 13.0585 13.6030 13.6104 k = 0.3712 0.3450 0.5806 ( 2338 PWs) bands (ev): -17.5851 -17.5851 -16.4603 -16.4570 -15.2105 -15.2059 -15.1059 -15.1041 -6.1494 -6.1468 -5.4954 -5.4892 -3.2850 -3.2769 -3.2116 -3.2064 -0.7792 -0.7741 -0.3334 -0.3308 0.3284 0.3322 0.8843 0.8896 1.6965 1.6996 2.2027 2.2078 2.4267 2.4324 2.6737 2.6810 12.6328 12.6370 12.8696 12.8794 13.0512 13.0605 13.6223 13.6296 k = 0.3788 0.3521 0.5710 ( 2330 PWs) bands (ev): -17.5854 -17.5854 -16.4595 -16.4563 -15.2107 -15.2062 -15.1075 -15.1054 -6.1454 -6.1429 -5.4893 -5.4832 -3.2799 -3.2715 -3.2097 -3.2043 -0.7849 -0.7799 -0.3281 -0.3260 0.3104 0.3141 0.8703 0.8758 1.7024 1.7054 2.2044 2.2095 2.4224 2.4284 2.6754 2.6829 12.6280 12.6320 12.8757 12.8846 13.0534 13.0624 13.6417 13.6490 k = 0.3864 0.3591 0.5614 ( 2328 PWs) bands (ev): -17.5853 -17.5853 -16.4591 -16.4559 -15.2108 -15.2065 -15.1094 -15.1070 -6.1385 -6.1361 -5.4849 -5.4789 -3.2752 -3.2664 -3.2081 -3.2025 -0.7891 -0.7841 -0.3264 -0.3248 0.2967 0.3003 0.8544 0.8601 1.7077 1.7107 2.2061 2.2110 2.4185 2.4249 2.6757 2.6833 12.6235 12.6275 12.8803 12.8882 13.0557 13.0642 13.6611 13.6684 k = 0.3939 0.3662 0.5517 ( 2326 PWs) bands (ev): -17.5848 -17.5847 -16.4592 -16.4560 -15.2109 -15.2068 -15.1116 -15.1090 -6.1287 -6.1262 -5.4823 -5.4763 -3.2709 -3.2618 -3.2068 -3.2009 -0.7917 -0.7865 -0.3288 -0.3272 0.2874 0.2912 0.8369 0.8428 1.7125 1.7155 2.2074 2.2124 2.4150 2.4219 2.6745 2.6823 12.6193 12.6233 12.8831 12.8896 13.0583 13.0663 13.6803 13.6875 k = 0.4015 0.3732 0.5421 ( 2330 PWs) bands (ev): -17.5839 -17.5838 -16.4597 -16.4566 -15.2110 -15.2070 -15.1141 -15.1112 -6.1159 -6.1135 -5.4814 -5.4756 -3.2672 -3.2577 -3.2059 -3.1997 -0.7925 -0.7873 -0.3353 -0.3334 0.2828 0.2870 0.8180 0.8241 1.7165 1.7195 2.2080 2.2131 2.4122 2.4194 2.6719 2.6800 12.6154 12.6195 12.8835 12.8889 13.0615 13.0690 13.6989 13.7061 k = 0.4091 0.3803 0.5325 ( 2328 PWs) bands (ev): -17.5826 -17.5825 -16.4606 -16.4575 -15.2111 -15.2072 -15.1168 -15.1137 -6.1001 -6.0978 -5.4824 -5.4765 -3.2640 -3.2542 -3.2053 -3.1988 -0.7917 -0.7863 -0.3458 -0.3432 0.2830 0.2875 0.7979 0.8041 1.7196 1.7228 2.2075 2.2130 2.4100 2.4176 2.6682 2.6765 12.6118 12.6159 12.8814 12.8858 13.0656 13.0727 13.7167 13.7238 k = 0.4167 0.3873 0.5229 ( 2327 PWs) bands (ev): -17.5809 -17.5809 -16.4619 -16.4587 -15.2111 -15.2074 -15.1198 -15.1165 -6.0816 -6.0792 -5.4850 -5.4792 -3.2614 -3.2514 -3.2051 -3.1983 -0.7891 -0.7835 -0.3597 -0.3563 0.2875 0.2925 0.7767 0.7830 1.7219 1.7252 2.2057 2.2115 2.4086 2.4166 2.6636 2.6721 12.6082 12.6125 12.8765 12.8805 13.0709 13.0777 13.7331 13.7402 k = 0.4242 0.3943 0.5133 ( 2327 PWs) bands (ev): -17.5790 -17.5790 -16.4635 -16.4603 -15.2111 -15.2076 -15.1230 -15.1194 -6.0602 -6.0579 -5.4894 -5.4836 -3.2595 -3.2493 -3.2052 -3.1982 -0.7848 -0.7789 -0.3764 -0.3724 0.2961 0.3015 0.7547 0.7611 1.7232 1.7267 2.2021 2.2084 2.4081 2.4165 2.6583 2.6671 12.6048 12.6092 12.8688 12.8732 13.0775 13.0843 13.7478 13.7548 k = 0.4318 0.4014 0.5037 ( 2330 PWs) bands (ev): -17.5769 -17.5768 -16.4653 -16.4620 -15.2110 -15.2078 -15.1263 -15.1225 -6.0363 -6.0339 -5.4954 -5.4896 -3.2584 -3.2481 -3.2056 -3.1985 -0.7789 -0.7726 -0.3954 -0.3905 0.3081 0.3139 0.7321 0.7384 1.7235 1.7272 2.1962 2.2030 2.4087 2.4173 2.6526 2.6615 12.6013 12.6059 12.8587 12.8639 13.0854 13.0924 13.7604 13.7672 k = 0.4394 0.4084 0.4941 ( 2328 PWs) bands (ev): -17.5746 -17.5745 -16.4673 -16.4640 -15.2109 -15.2079 -15.1297 -15.1257 -6.0099 -6.0075 -5.5030 -5.4971 -3.2581 -3.2477 -3.2064 -3.1992 -0.7715 -0.7647 -0.4157 -0.4102 0.3229 0.3292 0.7089 0.7153 1.7227 1.7266 2.1878 2.1950 2.4104 2.4193 2.6467 2.6559 12.5978 12.6026 12.8470 12.8531 13.0946 13.1018 13.7704 13.7772 k = 0.4470 0.4155 0.4844 ( 2326 PWs) bands (ev): -17.5722 -17.5721 -16.4694 -16.4660 -15.2108 -15.2081 -15.1332 -15.1290 -5.9813 -5.9789 -5.5120 -5.5059 -3.2585 -3.2483 -3.2076 -3.2004 -0.7627 -0.7554 -0.4368 -0.4305 0.3402 0.3467 0.6854 0.6918 1.7209 1.7249 2.1766 2.1842 2.4134 2.4225 2.6409 2.6503 12.5941 12.5991 12.8342 12.8410 13.1049 13.1124 13.7776 13.7844 k = 0.4545 0.4225 0.4748 ( 2324 PWs) bands (ev): -17.5698 -17.5697 -16.4714 -16.4680 -15.2107 -15.2083 -15.1367 -15.1323 -5.9508 -5.9484 -5.5221 -5.5159 -3.2597 -3.2496 -3.2092 -3.2021 -0.7528 -0.7447 -0.4579 -0.4507 0.3592 0.3660 0.6618 0.6682 1.7179 1.7221 2.1623 2.1701 2.4176 2.4268 2.6355 2.6451 12.5902 12.5954 12.8207 12.8283 13.1161 13.1238 13.7818 13.7885 k = 0.4621 0.4295 0.4652 ( 2322 PWs) bands (ev): -17.5675 -17.5675 -16.4734 -16.4700 -15.2106 -15.2085 -15.1402 -15.1356 -5.9188 -5.9165 -5.5332 -5.5267 -3.2617 -3.2519 -3.2113 -3.2044 -0.7422 -0.7332 -0.4782 -0.4701 0.3794 0.3865 0.6384 0.6446 1.7137 1.7180 2.1450 2.1530 2.4230 2.4322 2.6307 2.6404 12.5862 12.5914 12.8070 12.8152 13.1281 13.1358 13.7829 13.7896 k = 0.4697 0.4366 0.4556 ( 2320 PWs) bands (ev): -17.5655 -17.5654 -16.4751 -16.4716 -15.2105 -15.2087 -15.1435 -15.1388 -5.8861 -5.8839 -5.5444 -5.5377 -3.2644 -3.2549 -3.2138 -3.2072 -0.7314 -0.7213 -0.4969 -0.4876 0.4003 0.4077 0.6153 0.6215 1.7083 1.7127 2.1247 2.1327 2.4295 2.4387 2.6265 2.6364 12.5819 12.5872 12.7936 12.8022 13.1404 13.1483 13.7809 13.7876 k = 0.4773 0.4436 0.4460 ( 2314 PWs) bands (ev): -17.5638 -17.5637 -16.4765 -16.4730 -15.2105 -15.2090 -15.1467 -15.1419 -5.8537 -5.8517 -5.5550 -5.5479 -3.2679 -3.2588 -3.2170 -3.2105 -0.7211 -0.7098 -0.5128 -0.5023 0.4212 0.4289 0.5932 0.5992 1.7015 1.7059 2.1017 2.1096 2.4370 2.4460 2.6231 2.6331 12.5774 12.5828 12.7808 12.7898 13.1530 13.1608 13.7759 13.7826 k = 0.4848 0.4507 0.4364 ( 2314 PWs) bands (ev): -17.5626 -17.5625 -16.4774 -16.4738 -15.2104 -15.2094 -15.1496 -15.1447 -5.8235 -5.8216 -5.5632 -5.5557 -3.2722 -3.2633 -3.2207 -3.2145 -0.7123 -0.6998 -0.5246 -0.5128 0.4408 0.4490 0.5730 0.5789 1.6931 1.6977 2.0762 2.0840 2.4452 2.4540 2.6206 2.6306 12.5727 12.5781 12.7687 12.7780 13.1654 13.1732 13.7679 13.7747 k = 0.4924 0.4577 0.4268 ( 2316 PWs) bands (ev): -17.5619 -17.5618 -16.4776 -16.4739 -15.2104 -15.2098 -15.1523 -15.1474 -5.7983 -5.7966 -5.5663 -5.5583 -3.2771 -3.2685 -3.2251 -3.2191 -0.7061 -0.6925 -0.5308 -0.5180 0.4566 0.4656 0.5571 0.5628 1.6831 1.6877 2.0488 2.0564 2.4540 2.4627 2.6188 2.6289 12.5679 12.5733 12.7576 12.7670 13.1775 13.1852 13.7573 13.7640 k = 0.5000 0.4648 0.4171 ( 2314 PWs) bands (ev): -17.5620 -17.5619 -16.4770 -16.4733 -15.2106 -15.2102 -15.1548 -15.1497 -5.7820 -5.7804 -5.5605 -5.5524 -3.2827 -3.2744 -3.2301 -3.2245 -0.7032 -0.6892 -0.5301 -0.5169 0.4638 0.4732 0.5504 0.5561 1.6710 1.6757 2.0200 2.0274 2.4633 2.4718 2.6178 2.6279 12.5632 12.5685 12.7475 12.7571 13.1889 13.1965 13.7441 13.7509 k = 0.5000 0.4648 0.4171 ( 2314 PWs) bands (ev): -17.5620 -17.5619 -16.4770 -16.4733 -15.2106 -15.2102 -15.1548 -15.1497 -5.7820 -5.7804 -5.5605 -5.5524 -3.2827 -3.2744 -3.2301 -3.2245 -0.7032 -0.6892 -0.5301 -0.5169 0.4638 0.4732 0.5504 0.5561 1.6710 1.6757 2.0200 2.0274 2.4633 2.4718 2.6178 2.6279 12.5632 12.5685 12.7475 12.7571 13.1889 13.1965 13.7441 13.7509 k = 0.5000 0.4648 0.4028 ( 2318 PWs) bands (ev): -17.5627 -17.5626 -16.4754 -16.4716 -15.2110 -15.2106 -15.1581 -15.1531 -5.7660 -5.7643 -5.5437 -5.5354 -3.2914 -3.2835 -3.2382 -3.2328 -0.7007 -0.6868 -0.5231 -0.5099 0.4653 0.4746 0.5500 0.5557 1.6502 1.6550 1.9752 1.9825 2.4777 2.4860 2.6173 2.6275 12.5566 12.5618 12.7334 12.7433 13.2050 13.2124 13.7220 13.7289 k = 0.5000 0.4648 0.3884 ( 2322 PWs) bands (ev): -17.5635 -17.5634 -16.4738 -16.4700 -15.2114 -15.2109 -15.1615 -15.1564 -5.7503 -5.7485 -5.5270 -5.5185 -3.2996 -3.2920 -3.2460 -3.2409 -0.6971 -0.6831 -0.5150 -0.5019 0.4665 0.4758 0.5494 0.5549 1.6269 1.6318 1.9290 1.9361 2.4926 2.5007 2.6181 2.6282 12.5512 12.5563 12.7202 12.7302 13.2201 13.2274 13.6989 13.7059 k = 0.5000 0.4648 0.3740 ( 2314 PWs) bands (ev): -17.5643 -17.5642 -16.4722 -16.4683 -15.2117 -15.2112 -15.1648 -15.1596 -5.7349 -5.7331 -5.5105 -5.5019 -3.3073 -3.3001 -3.2536 -3.2488 -0.6921 -0.6781 -0.5057 -0.4927 0.4675 0.4767 0.5484 0.5538 1.6011 1.6062 1.8816 1.8885 2.5078 2.5156 2.6200 2.6300 12.5469 12.5519 12.7079 12.7180 13.2340 13.2411 13.6749 13.6819 k = 0.5000 0.4648 0.3596 ( 2310 PWs) bands (ev): -17.5652 -17.5650 -16.4706 -16.4668 -15.2120 -15.2114 -15.1680 -15.1629 -5.7199 -5.7181 -5.4943 -5.4855 -3.3144 -3.3075 -3.2609 -3.2563 -0.6858 -0.6718 -0.4953 -0.4823 0.4682 0.4774 0.5471 0.5524 1.5730 1.5781 1.8330 1.8398 2.5231 2.5307 2.6231 2.6330 12.5439 12.5489 12.6965 12.7067 13.2464 13.2534 13.6501 13.6571 k = 0.5000 0.4648 0.3452 ( 2306 PWs) bands (ev): -17.5660 -17.5659 -16.4691 -16.4652 -15.2122 -15.2116 -15.1711 -15.1660 -5.7054 -5.7036 -5.4783 -5.4695 -3.3209 -3.3142 -3.2679 -3.2634 -0.6782 -0.6643 -0.4836 -0.4706 0.4686 0.4778 0.5455 0.5506 1.5425 1.5477 1.7836 1.7903 2.5385 2.5458 2.6272 2.6369 12.5421 12.5471 12.6863 12.6966 13.2571 13.2641 13.6246 13.6315 k = 0.5000 0.4648 0.3308 ( 2314 PWs) bands (ev): -17.5669 -17.5668 -16.4676 -16.4638 -15.2123 -15.2117 -15.1741 -15.1691 -5.6915 -5.6897 -5.4628 -5.4540 -3.3266 -3.3203 -3.2745 -3.2702 -0.6692 -0.6553 -0.4705 -0.4576 0.4688 0.4779 0.5436 0.5486 1.5097 1.5151 1.7334 1.7400 2.5538 2.5609 2.6322 2.6417 12.5417 12.5466 12.6773 12.6876 13.2660 13.2729 13.5984 13.6053 k = 0.5000 0.4648 0.3165 ( 2310 PWs) bands (ev): -17.5678 -17.5677 -16.4662 -16.4623 -15.2124 -15.2118 -15.1770 -15.1721 -5.6782 -5.6764 -5.4478 -5.4389 -3.3316 -3.3257 -3.2807 -3.2765 -0.6589 -0.6451 -0.4562 -0.4433 0.4686 0.4778 0.5415 0.5462 1.4748 1.4803 1.6827 1.6892 2.5691 2.5760 2.6382 2.6474 12.5426 12.5476 12.6695 12.6799 13.2729 13.2797 13.5718 13.5786 k = 0.5000 0.4648 0.3021 ( 2312 PWs) bands (ev): -17.5687 -17.5686 -16.4648 -16.4610 -15.2124 -15.2118 -15.1799 -15.1750 -5.6656 -5.6638 -5.4333 -5.4245 -3.3359 -3.3303 -3.2865 -3.2824 -0.6473 -0.6335 -0.4404 -0.4276 0.4682 0.4774 0.5391 0.5436 1.4379 1.4434 1.6316 1.6380 2.5843 2.5909 2.6448 2.6538 12.5449 12.5499 12.6631 12.6735 13.2776 13.2844 13.5447 13.5515 k = 0.5000 0.4648 0.2877 ( 2312 PWs) bands (ev): -17.5696 -17.5695 -16.4634 -16.4597 -15.2124 -15.2118 -15.1825 -15.1778 -5.6538 -5.6519 -5.4193 -5.4106 -3.3395 -3.3341 -3.2918 -3.2879 -0.6343 -0.6206 -0.4232 -0.4105 0.4675 0.4766 0.5364 0.5408 1.3990 1.4045 1.5804 1.5868 2.5992 2.6055 2.6521 2.6608 12.5486 12.5536 12.6581 12.6685 13.2800 13.2869 13.5175 13.5241 k = 0.5000 0.4648 0.2733 ( 2316 PWs) bands (ev): -17.5705 -17.5704 -16.4621 -16.4585 -15.2124 -15.2117 -15.1851 -15.1805 -5.6426 -5.6408 -5.4060 -5.3974 -3.3422 -3.3372 -3.2966 -3.2929 -0.6200 -0.6064 -0.4046 -0.3919 0.4664 0.4756 0.5336 0.5376 1.3582 1.3638 1.5294 1.5356 2.6138 2.6199 2.6600 2.6683 12.5536 12.5587 12.6546 12.6649 13.2802 13.2871 13.4902 13.4966 k = 0.5000 0.4648 0.2589 ( 2318 PWs) bands (ev): -17.5713 -17.5712 -16.4609 -16.4573 -15.2123 -15.2116 -15.1875 -15.1831 -5.6323 -5.6305 -5.3933 -5.3849 -3.3443 -3.3396 -3.3010 -3.2975 -0.6045 -0.5910 -0.3844 -0.3719 0.4651 0.4743 0.5304 0.5343 1.3158 1.3214 1.4788 1.4849 2.6281 2.6339 2.6682 2.6761 12.5600 12.5652 12.6525 12.6627 13.2779 13.2850 13.4629 13.4690 k = 0.5000 0.4648 0.2445 ( 2314 PWs) bands (ev): -17.5722 -17.5721 -16.4597 -16.4562 -15.2122 -15.2114 -15.1898 -15.1856 -5.6227 -5.6210 -5.3813 -5.3731 -3.3457 -3.3413 -3.3048 -3.3015 -0.5879 -0.5745 -0.3628 -0.3504 0.4634 0.4727 0.5271 0.5308 1.2718 1.2774 1.4289 1.4348 2.6420 2.6475 2.6766 2.6842 12.5677 12.5729 12.6518 12.6619 13.2733 13.2806 13.4358 13.4416 k = 0.5000 0.4648 0.2301 ( 2314 PWs) bands (ev): -17.5731 -17.5730 -16.4585 -16.4552 -15.2120 -15.2112 -15.1919 -15.1879 -5.6139 -5.6123 -5.3700 -5.3620 -3.3464 -3.3424 -3.3082 -3.3052 -0.5701 -0.5569 -0.3397 -0.3273 0.4613 0.4708 0.5235 0.5270 1.2264 1.2318 1.3800 1.3856 2.6554 2.6606 2.6853 2.6924 12.5766 12.5819 12.6526 12.6626 13.2662 13.2739 13.4091 13.4145 k = 0.5000 0.4648 0.2158 ( 2308 PWs) bands (ev): -17.5739 -17.5739 -16.4575 -16.4543 -15.2119 -15.2110 -15.1939 -15.1901 -5.6059 -5.6043 -5.3594 -5.3517 -3.3465 -3.3429 -3.3111 -3.3084 -0.5513 -0.5383 -0.3151 -0.3028 0.4589 0.4685 0.5196 0.5231 1.1797 1.1850 1.3323 1.3375 2.6683 2.6732 2.6939 2.7007 12.5866 12.5921 12.6549 12.6647 13.2569 13.2649 13.3829 13.3878 k = 0.5000 0.4648 0.2014 ( 2308 PWs) bands (ev): -17.5748 -17.5747 -16.4565 -16.4534 -15.2117 -15.2108 -15.1957 -15.1922 -5.5987 -5.5971 -5.3496 -5.3422 -3.3461 -3.3429 -3.3136 -3.3111 -0.5316 -0.5188 -0.2890 -0.2769 0.4562 0.4659 0.5154 0.5190 1.1320 1.1371 1.2861 1.2910 2.6807 2.6852 2.7025 2.7088 12.5978 12.6034 12.6586 12.6681 13.2453 13.2538 13.3574 13.3618 k = 0.5000 0.4648 0.1870 ( 2312 PWs) bands (ev): -17.5756 -17.5755 -16.4555 -16.4527 -15.2115 -15.2105 -15.1973 -15.1942 -5.5922 -5.5907 -5.3405 -5.3335 -3.3452 -3.3424 -3.3156 -3.3135 -0.5112 -0.4987 -0.2615 -0.2495 0.4530 0.4629 0.5109 0.5147 1.0836 1.0884 1.2417 1.2461 2.6924 2.6966 2.7110 2.7168 12.6099 12.6157 12.6636 12.6728 13.2315 13.2405 13.3328 13.3366 k = 0.5000 0.4648 0.1726 ( 2316 PWs) bands (ev): -17.5763 -17.5763 -16.4547 -16.4519 -15.2113 -15.2103 -15.1988 -15.1960 -5.5864 -5.5849 -5.3321 -5.3255 -3.3440 -3.3416 -3.3172 -3.3155 -0.4902 -0.4780 -0.2326 -0.2208 0.4494 0.4595 0.5060 0.5101 1.0347 1.0392 1.1992 1.2032 2.7035 2.7074 2.7192 2.7245 12.6229 12.6289 12.6700 12.6787 13.2158 13.2253 13.3091 13.3124 k = 0.5000 0.4648 0.1582 ( 2316 PWs) bands (ev): -17.5770 -17.5770 -16.4538 -16.4513 -15.2112 -15.2100 -15.2001 -15.1976 -5.5812 -5.5799 -5.3244 -5.3183 -3.3425 -3.3405 -3.3185 -3.3171 -0.4688 -0.4570 -0.2025 -0.1908 0.4455 0.4557 0.5007 0.5053 0.9858 0.9900 1.1589 1.1625 2.7139 2.7174 2.7271 2.7319 12.6365 12.6428 12.6775 12.6858 13.1985 13.2084 13.2864 13.2893 k = 0.5000 0.4648 0.1438 ( 2316 PWs) bands (ev): -17.5777 -17.5777 -16.4531 -16.4508 -15.2110 -15.2098 -15.2012 -15.1991 -5.5767 -5.5755 -5.3175 -5.3118 -3.3408 -3.3392 -3.3193 -3.3185 -0.4473 -0.4360 -0.1711 -0.1596 0.4412 0.4515 0.4948 0.5001 0.9373 0.9412 1.1209 1.1242 2.7236 2.7267 2.7346 2.7389 12.6507 12.6573 12.6862 12.6938 13.1800 13.1901 13.2648 13.2673 k = 0.5000 0.4648 0.1295 ( 2324 PWs) bands (ev): -17.5783 -17.5783 -16.4524 -16.4503 -15.2109 -15.2096 -15.2022 -15.2004 -5.5728 -5.5716 -5.3113 -5.3060 -3.3391 -3.3378 -3.3199 -3.3194 -0.4260 -0.4152 -0.1387 -0.1274 0.4365 0.4468 0.4883 0.4944 0.8897 0.8934 1.0856 1.0886 2.7324 2.7351 2.7417 2.7454 12.6651 12.6721 12.6958 12.7027 13.1607 13.1709 13.2442 13.2464 k = 0.5000 0.4648 0.1151 ( 2324 PWs) bands (ev): -17.5789 -17.5789 -16.4518 -16.4499 -15.2109 -15.2095 -15.2029 -15.2016 -5.5694 -5.5684 -5.3057 -5.3010 -3.3375 -3.3363 -3.3204 -3.3200 -0.4051 -0.3949 -0.1055 -0.0945 0.4315 0.4416 0.4810 0.4879 0.8438 0.8473 1.0532 1.0559 2.7404 2.7427 2.7482 2.7513 12.6797 12.6870 12.7063 12.7123 13.1411 13.1512 13.2247 13.2267 k = 0.5000 0.4648 0.1007 ( 2322 PWs) bands (ev): -17.5794 -17.5794 -16.4512 -16.4495 -15.2109 -15.2094 -15.2036 -15.2026 -5.5665 -5.5656 -5.3008 -5.2966 -3.3360 -3.3348 -3.3207 -3.3200 -0.3850 -0.3756 -0.0718 -0.0612 0.4264 0.4361 0.4727 0.4805 0.8002 0.8036 1.0239 1.0264 2.7475 2.7495 2.7541 2.7567 12.6940 12.7016 12.7173 12.7223 13.1217 13.1315 13.2063 13.2081 k = 0.5000 0.4648 0.0863 ( 2322 PWs) bands (ev): -17.5799 -17.5798 -16.4507 -16.4492 -15.2109 -15.2094 -15.2040 -15.2034 -5.5641 -5.5633 -5.2966 -5.2930 -3.3347 -3.3334 -3.3209 -3.3199 -0.3661 -0.3577 -0.0381 -0.0278 0.4213 0.4303 0.4631 0.4716 0.7600 0.7633 0.9981 1.0003 2.7537 2.7554 2.7594 2.7616 12.7078 12.7157 12.7286 12.7326 13.1032 13.1124 13.1891 13.1908 k = 0.5000 0.4648 0.0719 ( 2326 PWs) bands (ev): -17.5803 -17.5802 -16.4503 -16.4490 -15.2109 -15.2095 -15.2044 -15.2040 -5.5621 -5.5614 -5.2930 -5.2899 -3.3337 -3.3322 -3.3208 -3.3196 -0.3489 -0.3415 -0.0049 0.0048 0.4164 0.4245 0.4521 0.4611 0.7242 0.7274 0.9758 0.9778 2.7589 2.7604 2.7640 2.7657 12.7207 12.7285 12.7397 12.7427 13.0860 13.0945 13.1736 13.1750 k = 0.5000 0.4648 0.0575 ( 2334 PWs) bands (ev): -17.5806 -17.5806 -16.4499 -16.4489 -15.2109 -15.2097 -15.2046 -15.2044 -5.5605 -5.5600 -5.2900 -5.2876 -3.3328 -3.3314 -3.3205 -3.3193 -0.3337 -0.3276 0.0269 0.0357 0.4119 0.4187 0.4398 0.4487 0.6939 0.6970 0.9574 0.9591 2.7631 2.7645 2.7678 2.7692 12.7325 12.7397 12.7502 12.7523 13.0708 13.0782 13.1599 13.1612 k = 0.5000 0.4648 0.0432 ( 2338 PWs) bands (ev): -17.5808 -17.5808 -16.4495 -16.4488 -15.2109 -15.2099 -15.2048 -15.2047 -5.5593 -5.5589 -5.2876 -5.2858 -3.3320 -3.3308 -3.3201 -3.3190 -0.3212 -0.3164 0.0559 0.0634 0.4082 0.4135 0.4269 0.4352 0.6702 0.6728 0.9430 0.9443 2.7665 2.7676 2.7709 2.7720 12.7426 12.7487 12.7595 12.7609 13.0583 13.0642 13.1486 13.1496 k = 0.5000 0.4648 0.0288 ( 2350 PWs) bands (ev): -17.5810 -17.5810 -16.4493 -16.4488 -15.2108 -15.2101 -15.2049 -15.2049 -5.5584 -5.5581 -5.2859 -5.2846 -3.3314 -3.3305 -3.3196 -3.3188 -0.3116 -0.3083 0.0801 0.0858 0.4052 0.4088 0.4155 0.4220 0.6535 0.6554 0.9328 0.9337 2.7689 2.7697 2.7732 2.7739 12.7507 12.7551 12.7668 12.7677 13.0490 13.0532 13.1401 13.1408 k = 0.5000 0.4648 0.0144 ( 2352 PWs) bands (ev): -17.5811 -17.5811 -16.4491 -16.4488 -15.2107 -15.2104 -15.2050 -15.2050 -5.5579 -5.5577 -5.2847 -5.2841 -3.3310 -3.3305 -3.3192 -3.3188 -0.3053 -0.3037 0.0971 0.1002 0.4025 0.4046 0.4088 0.4122 0.6438 0.6449 0.9267 0.9271 2.7705 2.7709 2.7747 2.7750 12.7563 12.7586 12.7716 12.7720 13.0436 13.0458 13.1349 13.1353 k = 0.5000 0.4648-0.0000 ( 2354 PWs) bands (ev): -17.5812 -17.5812 -16.4489 -16.4489 -15.2106 -15.2106 -15.2050 -15.2050 -5.5576 -5.5576 -5.2841 -5.2841 -3.3307 -3.3307 -3.3189 -3.3189 -0.3027 -0.3027 0.1043 0.1043 0.4016 0.4016 0.4081 0.4081 0.6410 0.6410 0.9248 0.9248 2.7711 2.7711 2.7753 2.7753 12.7590 12.7590 12.7734 12.7734 13.0425 13.0425 13.1332 13.1332 k = 0.0000 0.0000 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4992 -16.4992 -15.1999 -15.1999 -15.1032 -15.1032 -6.0191 -6.0191 -5.7972 -5.7972 -3.1331 -3.1331 -3.0903 -3.0903 -0.6007 -0.6007 -0.5611 -0.5611 0.4287 0.4287 0.5142 0.5142 1.7652 1.7652 2.2232 2.2232 2.6621 2.6621 2.6777 2.6777 12.7162 12.7162 12.9439 12.9439 13.0170 13.0170 13.9260 13.9260 k = 0.0104 0.0097 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4993 -16.4990 -15.2001 -15.1997 -15.1033 -15.1033 -6.0189 -6.0188 -5.7972 -5.7966 -3.1342 -3.1338 -3.0911 -3.0909 -0.6009 -0.5998 -0.5620 -0.5608 0.4295 0.4307 0.5150 0.5156 1.7648 1.7650 2.2231 2.2232 2.6614 2.6617 2.6768 2.6773 12.7161 12.7165 12.9397 12.9443 13.0161 13.0198 13.9218 13.9224 k = 0.0208 0.0194 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4994 -16.4989 -15.2003 -15.1996 -15.1033 -15.1033 -6.0180 -6.0179 -5.7968 -5.7955 -3.1371 -3.1364 -3.0932 -3.0927 -0.6003 -0.5981 -0.5634 -0.5611 0.4328 0.4353 0.5180 0.5193 1.7635 1.7640 2.2230 2.2234 2.6595 2.6602 2.6748 2.6757 12.7164 12.7170 12.9325 12.9410 13.0172 13.0238 13.9099 13.9111 k = 0.0312 0.0290 0.7344 ( 2336 PWs) bands (ev): -17.5542 -17.5542 -16.4995 -16.4987 -15.2006 -15.1995 -15.1034 -15.1034 -6.0166 -6.0164 -5.7958 -5.7940 -3.1419 -3.1407 -3.0966 -3.0959 -0.5989 -0.5957 -0.5654 -0.5619 0.4388 0.4425 0.5231 0.5252 1.7616 1.7622 2.2230 2.2235 2.6567 2.6577 2.6715 2.6729 12.7169 12.7178 12.9230 12.9343 13.0198 13.0284 13.8914 13.8931 k = 0.0417 0.0387 0.7344 ( 2340 PWs) bands (ev): -17.5542 -17.5541 -16.4995 -16.4985 -15.2009 -15.1994 -15.1035 -15.1035 -6.0146 -6.0143 -5.7944 -5.7919 -3.1483 -3.1468 -3.1012 -3.1002 -0.5970 -0.5927 -0.5678 -0.5633 0.4473 0.4521 0.5305 0.5332 1.7589 1.7597 2.2229 2.2236 2.6527 2.6541 2.6671 2.6689 12.7176 12.7189 12.9118 12.9252 13.0234 13.0330 13.8676 13.8696 k = 0.0521 0.0484 0.7344 ( 2342 PWs) bands (ev): -17.5541 -17.5541 -16.4996 -16.4983 -15.2013 -15.1994 -15.1036 -15.1036 -6.0121 -6.0117 -5.7925 -5.7894 -3.1563 -3.1544 -3.1069 -3.1056 -0.5946 -0.5891 -0.5705 -0.5651 0.4580 0.4639 0.5399 0.5432 1.7554 1.7565 2.2229 2.2238 2.6479 2.6496 2.6616 2.6638 12.7187 12.7203 12.8994 12.9142 13.0271 13.0374 13.8397 13.8420 k = 0.0625 0.0581 0.7344 ( 2342 PWs) bands (ev): -17.5541 -17.5540 -16.4996 -16.4981 -15.2016 -15.1994 -15.1037 -15.1037 -6.0091 -6.0086 -5.7901 -5.7865 -3.1657 -3.1635 -3.1137 -3.1121 -0.5921 -0.5851 -0.5731 -0.5672 0.4709 0.4778 0.5513 0.5552 1.7513 1.7526 2.2229 2.2240 2.6421 2.6442 2.6550 2.6577 12.7200 12.7220 12.8861 12.9020 13.0308 13.0414 13.8089 13.8115 k = 0.0729 0.0678 0.7344 ( 2338 PWs) bands (ev): -17.5540 -17.5540 -16.4996 -16.4978 -15.2020 -15.1994 -15.1039 -15.1039 -6.0057 -6.0051 -5.7874 -5.7832 -3.1764 -3.1738 -3.1213 -3.1195 -0.5900 -0.5812 -0.5750 -0.5693 0.4856 0.4935 0.5646 0.5690 1.7464 1.7479 2.2229 2.2242 2.6355 2.6379 2.6475 2.6507 12.7217 12.7240 12.8722 12.8890 13.0342 13.0448 13.7764 13.7791 k = 0.0833 0.0775 0.7344 ( 2342 PWs) bands (ev): -17.5540 -17.5539 -16.4996 -16.4976 -15.2024 -15.1995 -15.1041 -15.1041 -6.0019 -6.0012 -5.7844 -5.7796 -3.1881 -3.1852 -3.1298 -3.1277 -0.5896 -0.5786 -0.5751 -0.5699 0.5019 0.5108 0.5795 0.5845 1.7408 1.7425 2.2229 2.2244 2.6282 2.6310 2.6390 2.6427 12.7237 12.7263 12.8578 12.8753 13.0372 13.0477 13.7428 13.7456 k = 0.0938 0.0871 0.7344 ( 2346 PWs) bands (ev): -17.5539 -17.5539 -16.4995 -16.4973 -15.2029 -15.1996 -15.1043 -15.1043 -5.9977 -5.9970 -5.7811 -5.7757 -3.2007 -3.1975 -3.1389 -3.1366 -0.5913 -0.5793 -0.5729 -0.5672 0.5195 0.5292 0.5960 0.6015 1.7345 1.7365 2.2229 2.2247 2.6202 2.6234 2.6299 2.6340 12.7260 12.7290 12.8432 12.8613 13.0396 13.0501 13.7089 13.7117 k = 0.1042 0.0968 0.7344 ( 2346 PWs) bands (ev): -17.5538 -17.5538 -16.4995 -16.4971 -15.2033 -15.1997 -15.1045 -15.1045 -5.9933 -5.9925 -5.7775 -5.7717 -3.2139 -3.2104 -3.1485 -3.1459 -0.5943 -0.5819 -0.5693 -0.5626 0.5382 0.5486 0.6139 0.6198 1.7276 1.7298 2.2230 2.2251 2.6118 2.6154 2.6201 2.6248 12.7286 12.7320 12.8286 12.8472 13.0416 13.0520 13.6753 13.6780 k = 0.1146 0.1065 0.7344 ( 2342 PWs) bands (ev): -17.5537 -17.5537 -16.4994 -16.4968 -15.2037 -15.1998 -15.1047 -15.1047 -5.9887 -5.9878 -5.7738 -5.7674 -3.2275 -3.2237 -3.1584 -3.1556 -0.5978 -0.5850 -0.5651 -0.5576 0.5575 0.5687 0.6329 0.6392 1.7201 1.7226 2.2231 2.2254 2.6030 2.6069 2.6099 2.6150 12.7316 12.7353 12.8142 12.8333 13.0432 13.0534 13.6422 13.6449 k = 0.1250 0.1162 0.7344 ( 2334 PWs) bands (ev): -17.5537 -17.5536 -16.4994 -16.4966 -15.2041 -15.2000 -15.1049 -15.1049 -5.9840 -5.9830 -5.7699 -5.7631 -3.2413 -3.2372 -3.1685 -3.1654 -0.6014 -0.5882 -0.5607 -0.5525 0.5772 0.5890 0.6527 0.6594 1.7121 1.7148 2.2233 2.2259 2.5938 2.5983 2.5995 2.6050 12.7348 12.7390 12.8001 12.8196 13.0444 13.0545 13.6101 13.6127 k = 0.1354 0.1259 0.7344 ( 2334 PWs) bands (ev): -17.5536 -17.5536 -16.4993 -16.4963 -15.2046 -15.2001 -15.1052 -15.1051 -5.9793 -5.9782 -5.7661 -5.7588 -3.2550 -3.2507 -3.1786 -3.1752 -0.6050 -0.5914 -0.5562 -0.5475 0.5969 0.6093 0.6730 0.6800 1.7036 1.7065 2.2234 2.2264 2.5843 2.5892 2.5894 2.5949 12.7383 12.7429 12.7866 12.8063 13.0453 13.0551 13.5794 13.5818 k = 0.1458 0.1356 0.7344 ( 2330 PWs) bands (ev): -17.5535 -17.5535 -16.4992 -16.4961 -15.2050 -15.2003 -15.1054 -15.1053 -5.9746 -5.9735 -5.7623 -5.7545 -3.2684 -3.2639 -3.1884 -3.1848 -0.6085 -0.5944 -0.5519 -0.5427 0.6163 0.6292 0.6935 0.7008 1.6948 1.6979 2.2236 2.2269 2.5743 2.5795 2.5803 2.5852 12.7418 12.7470 12.7738 12.7937 13.0458 13.0556 13.5502 13.5525 k = 0.1562 0.1452 0.7344 ( 2336 PWs) bands (ev): -17.5535 -17.5534 -16.4991 -16.4958 -15.2053 -15.2004 -15.1056 -15.1055 -5.9700 -5.9688 -5.7585 -5.7504 -3.2813 -3.2766 -3.1980 -3.1941 -0.6117 -0.5974 -0.5478 -0.5382 0.6351 0.6485 0.7140 0.7215 1.6859 1.6892 2.2238 2.2275 2.5641 2.5704 2.5711 2.5760 12.7452 12.7513 12.7622 12.7818 13.0461 13.0557 13.5228 13.5249 k = 0.1667 0.1549 0.7344 ( 2334 PWs) bands (ev): -17.5534 -17.5533 -16.4991 -16.4956 -15.2057 -15.2006 -15.1058 -15.1057 -5.9657 -5.9645 -5.7550 -5.7465 -3.2935 -3.2886 -3.2070 -3.2029 -0.6147 -0.6001 -0.5440 -0.5340 0.6529 0.6667 0.7339 0.7416 1.6769 1.6804 2.2241 2.2281 2.5540 2.5618 2.5621 2.5677 12.7457 12.7545 12.7556 12.7708 13.0462 13.0557 13.4974 13.4994 k = 0.1771 0.1646 0.7344 ( 2340 PWs) bands (ev): -17.5533 -17.5533 -16.4990 -16.4954 -15.2060 -15.2007 -15.1060 -15.1059 -5.9616 -5.9604 -5.7517 -5.7429 -3.3047 -3.2997 -3.2153 -3.2110 -0.6175 -0.6025 -0.5406 -0.5302 0.6695 0.6837 0.7528 0.7607 1.6680 1.6717 2.2244 2.2287 2.5443 2.5528 2.5544 2.5602 12.7383 12.7556 12.7595 12.7612 13.0461 13.0555 13.4743 13.4761 k = 0.1875 0.1743 0.7344 ( 2340 PWs) bands (ev): -17.5533 -17.5532 -16.4989 -16.4953 -15.2063 -15.2009 -15.1061 -15.1061 -5.9580 -5.9566 -5.7487 -5.7396 -3.3149 -3.3097 -3.2228 -3.2183 -0.6199 -0.6047 -0.5375 -0.5269 0.6845 0.6990 0.7705 0.7785 1.6596 1.6635 2.2246 2.2293 2.5353 2.5444 2.5476 2.5535 12.7297 12.7518 12.7589 12.7642 13.0460 13.0553 13.4537 13.4553 k = 0.1979 0.1840 0.7344 ( 2354 PWs) bands (ev): -17.5532 -17.5532 -16.4989 -16.4951 -15.2066 -15.2010 -15.1063 -15.1062 -5.9547 -5.9534 -5.7460 -5.7367 -3.3237 -3.3184 -3.2294 -3.2248 -0.6219 -0.6066 -0.5348 -0.5240 0.6977 0.7125 0.7863 0.7945 1.6519 1.6559 2.2249 2.2299 2.5272 2.5368 2.5416 2.5476 12.7220 12.7441 12.7623 12.7680 13.0458 13.0550 13.4357 13.4372 k = 0.2083 0.1936 0.7344 ( 2350 PWs) bands (ev): -17.5532 -17.5531 -16.4988 -16.4950 -15.2068 -15.2011 -15.1064 -15.1064 -5.9520 -5.9506 -5.7438 -5.7342 -3.3312 -3.3258 -3.2350 -3.2302 -0.6236 -0.6081 -0.5326 -0.5217 0.7089 0.7239 0.8000 0.8083 1.6451 1.6492 2.2251 2.2304 2.5203 2.5304 2.5365 2.5427 12.7156 12.7377 12.7654 12.7714 13.0456 13.0548 13.4208 13.4221 k = 0.2188 0.2033 0.7344 ( 2350 PWs) bands (ev): -17.5532 -17.5531 -16.4988 -16.4949 -15.2070 -15.2012 -15.1065 -15.1065 -5.9498 -5.9484 -5.7420 -5.7323 -3.3371 -3.3316 -3.2394 -3.2346 -0.6249 -0.6093 -0.5309 -0.5198 0.7178 0.7330 0.8111 0.8194 1.6395 1.6437 2.2254 2.2309 2.5147 2.5251 2.5325 2.5388 12.7105 12.7327 12.7680 12.7743 13.0454 13.0546 13.4089 13.4101 k = 0.2292 0.2130 0.7344 ( 2344 PWs) bands (ev): -17.5531 -17.5531 -16.4987 -16.4948 -15.2071 -15.2013 -15.1066 -15.1065 -5.9482 -5.9468 -5.7407 -5.7308 -3.3414 -3.3359 -3.2426 -3.2377 -0.6259 -0.6102 -0.5296 -0.5185 0.7243 0.7396 0.8193 0.8277 1.6353 1.6396 2.2255 2.2313 2.5106 2.5213 2.5296 2.5360 12.7068 12.7291 12.7699 12.7764 13.0453 13.0544 13.4003 13.4014 k = 0.2396 0.2227 0.7344 ( 2332 PWs) bands (ev): -17.5531 -17.5530 -16.4987 -16.4948 -15.2072 -15.2013 -15.1066 -15.1066 -5.9472 -5.9458 -5.7399 -5.7300 -3.3440 -3.3384 -3.2446 -3.2396 -0.6264 -0.6107 -0.5288 -0.5176 0.7283 0.7436 0.8243 0.8328 1.6327 1.6370 2.2257 2.2315 2.5081 2.5190 2.5278 2.5343 12.7046 12.7269 12.7712 12.7778 13.0452 13.0543 13.3951 13.3961 k = 0.2500 0.2324 0.7344 ( 2328 PWs) bands (ev): -17.5531 -17.5530 -16.4987 -16.4947 -15.2072 -15.2013 -15.1066 -15.1066 -5.9469 -5.9454 -5.7396 -5.7297 -3.3448 -3.3393 -3.2452 -3.2402 -0.6266 -0.6109 -0.5286 -0.5174 0.7296 0.7450 0.8260 0.8345 1.6318 1.6361 2.2257 2.2316 2.5073 2.5182 2.5272 2.5337 12.7039 12.7262 12.7716 12.7782 13.0451 13.0542 13.3933 13.3944 Writing output data file BPO4.save init_run : 2.24s CPU 12.41s WALL ( 1 calls) electrons : 422.43s CPU 428.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.87s WALL ( 1 calls) Called by electrons: c_bands : 422.39s CPU 427.99s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.03s WALL ( 1 calls) v_xc : 0.06s CPU 0.61s WALL ( 1 calls) newd : 0.23s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.16s WALL ( 377 calls) cegterg : 400.86s CPU 403.67s WALL ( 757 calls) Called by sum_band: Called by *egterg: h_psi : 177.75s CPU 184.45s WALL ( 14054 calls) s_psi : 12.71s CPU 13.92s WALL ( 14054 calls) g_psi : 0.32s CPU 0.41s WALL ( 12920 calls) cdiaghg : 159.01s CPU 157.05s WALL ( 13297 calls) cegterg:over : 33.36s CPU 28.98s WALL ( 12920 calls) cegterg:upda : 3.23s CPU 6.38s WALL ( 12920 calls) cegterg:last : 3.66s CPU 4.58s WALL ( 2306 calls) Called by h_psi: h_psi:vloc : 144.44s CPU 150.97s WALL ( 14054 calls) h_psi:vnl : 33.20s CPU 33.03s WALL ( 14054 calls) add_vuspsi : 6.92s CPU 10.94s WALL ( 14054 calls) General routines calbec : 26.25s CPU 21.99s WALL ( 14054 calls) fft : 0.23s CPU 1.21s WALL ( 19 calls) ffts : 0.17s CPU 0.46s WALL ( 4 calls) fftw : 136.18s CPU 140.93s WALL ( 1170332 calls) interpolate : 0.18s CPU 0.47s WALL ( 4 calls) davcio : 0.07s CPU 0.92s WALL ( 754 calls) Parallel routines fft_scatter : 93.48s CPU 95.72s WALL ( 1170355 calls) PWSCF : 7m40.92s CPU 8m58.32s WALL This run was terminated on: 5:40:38 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=