Program PWSCF v.5.1.1 starts on 17Oct2015 at 21:52:38 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 6 872 376 59 Max 40 23 7 875 393 63 Sum 1885 1095 319 41881 18403 2911 bravais-lattice index = 14 lattice parameter (alat) = 8.5486 a.u. unit-cell volume = 422.4755 (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)= 8.548607 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.539759 celldm(5)= -0.539759 celldm(6)= 0.079517 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.079517 0.996833 0.000000 ) a(3) = ( -0.539759 -0.498417 0.678411 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.079770 0.737016 ) b(2) = ( 0.000000 1.003177 0.737016 ) b(3) = ( 0.000000 0.000000 1.474033 ) 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= 380 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0000000 0.0000000 0.0141734), wk = 0.0026316 k( 3) = ( 0.0000000 0.0000000 0.0283468), wk = 0.0026316 k( 4) = ( 0.0000000 0.0000000 0.0425202), wk = 0.0026316 k( 5) = ( 0.0000000 0.0000000 0.0566936), wk = 0.0026316 k( 6) = ( 0.0000000 0.0000000 0.0708670), wk = 0.0026316 k( 7) = ( 0.0000000 0.0000000 0.0850404), wk = 0.0026316 k( 8) = ( 0.0000000 0.0000000 0.0992138), wk = 0.0026316 k( 9) = ( 0.0000000 0.0000000 0.1133872), wk = 0.0026316 k( 10) = ( 0.0000000 0.0000000 0.1275605), wk = 0.0026316 k( 11) = ( 0.0000000 0.0000000 0.1417339), wk = 0.0026316 k( 12) = ( 0.0000000 0.0000000 0.1559073), wk = 0.0026316 k( 13) = ( 0.0000000 0.0000000 0.1700807), wk = 0.0026316 k( 14) = ( 0.0000000 0.0000000 0.1842541), wk = 0.0026316 k( 15) = ( 0.0000000 0.0000000 0.1984275), wk = 0.0026316 k( 16) = ( 0.0000000 0.0000000 0.2126009), wk = 0.0026316 k( 17) = ( 0.0000000 0.0000000 0.2267743), wk = 0.0026316 k( 18) = ( 0.0000000 0.0000000 0.2409477), wk = 0.0026316 k( 19) = ( 0.0000000 0.0000000 0.2551211), wk = 0.0026316 k( 20) = ( 0.0000000 0.0000000 0.2692945), wk = 0.0026316 k( 21) = ( 0.0000000 0.0000000 0.2834679), wk = 0.0026316 k( 22) = ( 0.0000000 0.0000000 0.2976413), wk = 0.0026316 k( 23) = ( 0.0000000 0.0000000 0.3118147), wk = 0.0026316 k( 24) = ( 0.0000000 0.0000000 0.3259881), wk = 0.0026316 k( 25) = ( 0.0000000 0.0000000 0.3401614), wk = 0.0026316 k( 26) = ( 0.0000000 0.0000000 0.3543348), wk = 0.0026316 k( 27) = ( 0.0000000 0.0000000 0.3685082), wk = 0.0026316 k( 28) = ( 0.0000000 0.0000000 0.3826816), wk = 0.0026316 k( 29) = ( 0.0000000 0.0000000 0.3968550), wk = 0.0026316 k( 30) = ( 0.0000000 0.0000000 0.4110284), wk = 0.0026316 k( 31) = ( 0.0000000 0.0000000 0.4252018), wk = 0.0026316 k( 32) = ( 0.0000000 0.0000000 0.4393752), wk = 0.0026316 k( 33) = ( 0.0000000 0.0000000 0.4535486), wk = 0.0026316 k( 34) = ( 0.0000000 0.0000000 0.4677220), wk = 0.0026316 k( 35) = ( 0.0000000 0.0000000 0.4818954), wk = 0.0026316 k( 36) = ( 0.0000000 0.0000000 0.4960688), wk = 0.0026316 k( 37) = ( 0.0000000 0.0000000 0.5102422), wk = 0.0026316 k( 38) = ( 0.0000000 0.0000000 0.5244156), wk = 0.0026316 k( 39) = ( 0.0000000 0.0000000 0.5385890), wk = 0.0026316 k( 40) = ( 0.0000000 0.0000000 0.5527623), wk = 0.0026316 k( 41) = ( 0.0000000 0.0000000 0.5669357), wk = 0.0026316 k( 42) = ( 0.0000000 0.0000000 0.5811091), wk = 0.0026316 k( 43) = ( 0.0000000 0.0000000 0.5952825), wk = 0.0026316 k( 44) = ( 0.0000000 0.0000000 0.6094559), wk = 0.0026316 k( 45) = ( 0.0000000 0.0000000 0.6236293), wk = 0.0026316 k( 46) = ( 0.0000000 0.0000000 0.6378027), wk = 0.0026316 k( 47) = ( 0.0000000 0.0000000 0.6519761), wk = 0.0026316 k( 48) = ( 0.0000000 0.0000000 0.6661495), wk = 0.0026316 k( 49) = ( 0.0000000 0.0000000 0.6803229), wk = 0.0026316 k( 50) = ( 0.0000000 0.0000000 0.6944963), wk = 0.0026316 k( 51) = ( 0.0000000 0.0000000 0.7086697), wk = 0.0026316 k( 52) = ( 0.0000000 0.0000000 0.7228431), wk = 0.0026316 k( 53) = ( 0.0000000 0.0000000 0.7370165), wk = 0.0026316 k( 54) = ( 0.0000000 0.0000000 0.7370165), wk = 0.0026316 k( 55) = ( -0.0096895 0.0104933 0.7370165), wk = 0.0026316 k( 56) = ( -0.0193791 0.0209865 0.7370165), wk = 0.0026316 k( 57) = ( -0.0290686 0.0314798 0.7370165), wk = 0.0026316 k( 58) = ( -0.0387582 0.0419730 0.7370165), wk = 0.0026316 k( 59) = ( -0.0484477 0.0524663 0.7370165), wk = 0.0026316 k( 60) = ( -0.0581373 0.0629595 0.7370165), wk = 0.0026316 k( 61) = ( -0.0678268 0.0734528 0.7370165), wk = 0.0026316 k( 62) = ( -0.0775163 0.0839461 0.7370165), wk = 0.0026316 k( 63) = ( -0.0872059 0.0944393 0.7370165), wk = 0.0026316 k( 64) = ( -0.0968954 0.1049326 0.7370165), wk = 0.0026316 k( 65) = ( -0.1065850 0.1154258 0.7370165), wk = 0.0026316 k( 66) = ( -0.1162745 0.1259191 0.7370165), wk = 0.0026316 k( 67) = ( -0.1259641 0.1364123 0.7370165), wk = 0.0026316 k( 68) = ( -0.1356536 0.1469056 0.7370165), wk = 0.0026316 k( 69) = ( -0.1453432 0.1573989 0.7370165), wk = 0.0026316 k( 70) = ( -0.1550327 0.1678921 0.7370165), wk = 0.0026316 k( 71) = ( -0.1647222 0.1783854 0.7370165), wk = 0.0026316 k( 72) = ( -0.1744118 0.1888786 0.7370165), wk = 0.0026316 k( 73) = ( -0.1841013 0.1993719 0.7370165), wk = 0.0026316 k( 74) = ( -0.1937909 0.2098652 0.7370165), wk = 0.0026316 k( 75) = ( -0.2034804 0.2203584 0.7370165), wk = 0.0026316 k( 76) = ( -0.2131700 0.2308517 0.7370165), wk = 0.0026316 k( 77) = ( -0.2131700 0.2308517 0.7370165), wk = 0.0026316 k( 78) = ( -0.2199993 0.2382474 0.7269499), wk = 0.0026316 k( 79) = ( -0.2268285 0.2456432 0.7168833), wk = 0.0026316 k( 80) = ( -0.2336578 0.2530389 0.7068167), wk = 0.0026316 k( 81) = ( -0.2404871 0.2604347 0.6967501), wk = 0.0026316 k( 82) = ( -0.2473164 0.2678304 0.6866835), wk = 0.0026316 k( 83) = ( -0.2541457 0.2752262 0.6766169), wk = 0.0026316 k( 84) = ( -0.2609750 0.2826219 0.6665503), wk = 0.0026316 k( 85) = ( -0.2678043 0.2900177 0.6564837), wk = 0.0026316 k( 86) = ( -0.2746336 0.2974134 0.6464171), wk = 0.0026316 k( 87) = ( -0.2814628 0.3048092 0.6363505), wk = 0.0026316 k( 88) = ( -0.2882921 0.3122049 0.6262839), wk = 0.0026316 k( 89) = ( -0.2951214 0.3196007 0.6162173), wk = 0.0026316 k( 90) = ( -0.3019507 0.3269964 0.6061508), wk = 0.0026316 k( 91) = ( -0.3087800 0.3343922 0.5960842), wk = 0.0026316 k( 92) = ( -0.3156093 0.3417879 0.5860176), wk = 0.0026316 k( 93) = ( -0.3224385 0.3491837 0.5759510), wk = 0.0026316 k( 94) = ( -0.3292678 0.3565794 0.5658844), wk = 0.0026316 k( 95) = ( -0.3360971 0.3639752 0.5558178), wk = 0.0026316 k( 96) = ( -0.3429264 0.3713709 0.5457512), wk = 0.0026316 k( 97) = ( -0.3497557 0.3787667 0.5356846), wk = 0.0026316 k( 98) = ( -0.3565850 0.3861624 0.5256180), wk = 0.0026316 k( 99) = ( -0.3565850 0.3861624 0.5256180), wk = 0.0026316 k( 100) = ( -0.3497276 0.3787363 0.5155100), wk = 0.0026316 k( 101) = ( -0.3428702 0.3713101 0.5054019), wk = 0.0026316 k( 102) = ( -0.3360128 0.3638838 0.4952939), wk = 0.0026316 k( 103) = ( -0.3291554 0.3564577 0.4851859), wk = 0.0026316 k( 104) = ( -0.3222980 0.3490315 0.4750778), wk = 0.0026316 k( 105) = ( -0.3154406 0.3416052 0.4649698), wk = 0.0026316 k( 106) = ( -0.3085832 0.3341790 0.4548617), wk = 0.0026316 k( 107) = ( -0.3017258 0.3267529 0.4447537), wk = 0.0026316 k( 108) = ( -0.2948684 0.3193266 0.4346457), wk = 0.0026316 k( 109) = ( -0.2880109 0.3119004 0.4245376), wk = 0.0026316 k( 110) = ( -0.2811535 0.3044742 0.4144296), wk = 0.0026316 k( 111) = ( -0.2742961 0.2970480 0.4043215), wk = 0.0026316 k( 112) = ( -0.2674387 0.2896218 0.3942135), wk = 0.0026316 k( 113) = ( -0.2605813 0.2821956 0.3841055), wk = 0.0026316 k( 114) = ( -0.2537239 0.2747694 0.3739974), wk = 0.0026316 k( 115) = ( -0.2468665 0.2673432 0.3638894), wk = 0.0026316 k( 116) = ( -0.2400091 0.2599170 0.3537813), wk = 0.0026316 k( 117) = ( -0.2331517 0.2524908 0.3436733), wk = 0.0026316 k( 118) = ( -0.2262943 0.2450646 0.3335653), wk = 0.0026316 k( 119) = ( -0.2194369 0.2376384 0.3234572), wk = 0.0026316 k( 120) = ( -0.2125795 0.2302122 0.3133492), wk = 0.0026316 k( 121) = ( -0.2057221 0.2227860 0.3032412), wk = 0.0026316 k( 122) = ( -0.1988647 0.2153598 0.2931331), wk = 0.0026316 k( 123) = ( -0.1920073 0.2079336 0.2830251), wk = 0.0026316 k( 124) = ( -0.1851499 0.2005074 0.2729170), wk = 0.0026316 k( 125) = ( -0.1782925 0.1930812 0.2628090), wk = 0.0026316 k( 126) = ( -0.1714351 0.1856550 0.2527010), wk = 0.0026316 k( 127) = ( -0.1645777 0.1782288 0.2425929), wk = 0.0026316 k( 128) = ( -0.1577203 0.1708026 0.2324849), wk = 0.0026316 k( 129) = ( -0.1508629 0.1633764 0.2223769), wk = 0.0026316 k( 130) = ( -0.1440055 0.1559502 0.2122688), wk = 0.0026316 k( 131) = ( -0.1371481 0.1485240 0.2021608), wk = 0.0026316 k( 132) = ( -0.1302907 0.1410978 0.1920527), wk = 0.0026316 k( 133) = ( -0.1234333 0.1336716 0.1819447), wk = 0.0026316 k( 134) = ( -0.1165759 0.1262454 0.1718367), wk = 0.0026316 k( 135) = ( -0.1097185 0.1188192 0.1617286), wk = 0.0026316 k( 136) = ( -0.1028610 0.1113930 0.1516206), wk = 0.0026316 k( 137) = ( -0.0960036 0.1039668 0.1415125), wk = 0.0026316 k( 138) = ( -0.0891462 0.0965406 0.1314045), wk = 0.0026316 k( 139) = ( -0.0822888 0.0891144 0.1212965), wk = 0.0026316 k( 140) = ( -0.0754314 0.0816882 0.1111884), wk = 0.0026316 k( 141) = ( -0.0685740 0.0742620 0.1010804), wk = 0.0026316 k( 142) = ( -0.0617166 0.0668358 0.0909723), wk = 0.0026316 k( 143) = ( -0.0548592 0.0594096 0.0808643), wk = 0.0026316 k( 144) = ( -0.0480018 0.0519834 0.0707563), wk = 0.0026316 k( 145) = ( -0.0411444 0.0445572 0.0606482), wk = 0.0026316 k( 146) = ( -0.0342870 0.0371310 0.0505402), wk = 0.0026316 k( 147) = ( -0.0274296 0.0297048 0.0404321), wk = 0.0026316 k( 148) = ( -0.0205722 0.0222786 0.0303241), wk = 0.0026316 k( 149) = ( -0.0137148 0.0148524 0.0202161), wk = 0.0026316 k( 150) = ( -0.0068574 0.0074262 0.0101080), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 153) = ( 0.0104167 0.0096188 0.0000000), wk = 0.0026316 k( 154) = ( 0.0208333 0.0192376 0.0000000), wk = 0.0026316 k( 155) = ( 0.0312500 0.0288565 0.0000000), wk = 0.0026316 k( 156) = ( 0.0416667 0.0384753 0.0000000), wk = 0.0026316 k( 157) = ( 0.0520833 0.0480941 0.0000000), wk = 0.0026316 k( 158) = ( 0.0625000 0.0577129 0.0000000), wk = 0.0026316 k( 159) = ( 0.0729167 0.0673317 0.0000000), wk = 0.0026316 k( 160) = ( 0.0833333 0.0769506 0.0000000), wk = 0.0026316 k( 161) = ( 0.0937500 0.0865694 0.0000000), wk = 0.0026316 k( 162) = ( 0.1041667 0.0961882 0.0000000), wk = 0.0026316 k( 163) = ( 0.1145833 0.1058070 0.0000000), wk = 0.0026316 k( 164) = ( 0.1250000 0.1154258 0.0000000), wk = 0.0026316 k( 165) = ( 0.1354167 0.1250447 0.0000000), wk = 0.0026316 k( 166) = ( 0.1458333 0.1346635 0.0000000), wk = 0.0026316 k( 167) = ( 0.1562500 0.1442823 0.0000000), wk = 0.0026316 k( 168) = ( 0.1666667 0.1539011 0.0000000), wk = 0.0026316 k( 169) = ( 0.1770833 0.1635199 0.0000000), wk = 0.0026316 k( 170) = ( 0.1875000 0.1731387 0.0000000), wk = 0.0026316 k( 171) = ( 0.1979167 0.1827576 0.0000000), wk = 0.0026316 k( 172) = ( 0.2083333 0.1923764 0.0000000), wk = 0.0026316 k( 173) = ( 0.2187500 0.2019952 0.0000000), wk = 0.0026316 k( 174) = ( 0.2291667 0.2116140 0.0000000), wk = 0.0026316 k( 175) = ( 0.2395833 0.2212328 0.0000000), wk = 0.0026316 k( 176) = ( 0.2500000 0.2308517 0.0000000), wk = 0.0026316 k( 177) = ( 0.2604167 0.2404705 0.0000000), wk = 0.0026316 k( 178) = ( 0.2708333 0.2500893 0.0000000), wk = 0.0026316 k( 179) = ( 0.2812500 0.2597081 0.0000000), wk = 0.0026316 k( 180) = ( 0.2916667 0.2693269 0.0000000), wk = 0.0026316 k( 181) = ( 0.3020833 0.2789458 0.0000000), wk = 0.0026316 k( 182) = ( 0.3125000 0.2885646 0.0000000), wk = 0.0026316 k( 183) = ( 0.3229167 0.2981834 0.0000000), wk = 0.0026316 k( 184) = ( 0.3333333 0.3078022 0.0000000), wk = 0.0026316 k( 185) = ( 0.3437500 0.3174210 0.0000000), wk = 0.0026316 k( 186) = ( 0.3541667 0.3270399 0.0000000), wk = 0.0026316 k( 187) = ( 0.3645833 0.3366587 0.0000000), wk = 0.0026316 k( 188) = ( 0.3750000 0.3462775 0.0000000), wk = 0.0026316 k( 189) = ( 0.3854167 0.3558963 0.0000000), wk = 0.0026316 k( 190) = ( 0.3958333 0.3655151 0.0000000), wk = 0.0026316 k( 191) = ( 0.4062500 0.3751340 0.0000000), wk = 0.0026316 k( 192) = ( 0.4166667 0.3847528 0.0000000), wk = 0.0026316 k( 193) = ( 0.4270833 0.3943716 0.0000000), wk = 0.0026316 k( 194) = ( 0.4375000 0.4039904 0.0000000), wk = 0.0026316 k( 195) = ( 0.4479167 0.4136092 0.0000000), wk = 0.0026316 k( 196) = ( 0.4583333 0.4232281 0.0000000), wk = 0.0026316 k( 197) = ( 0.4687500 0.4328469 0.0000000), wk = 0.0026316 k( 198) = ( 0.4791667 0.4424657 0.0000000), wk = 0.0026316 k( 199) = ( 0.4895833 0.4520845 0.0000000), wk = 0.0026316 k( 200) = ( 0.5000000 0.4617033 0.0000000), wk = 0.0026316 k( 201) = ( 0.5000000 0.4617033 0.0000000), wk = 0.0026316 k( 202) = ( 0.4931707 0.4690991 0.0100666), wk = 0.0026316 k( 203) = ( 0.4863414 0.4764948 0.0201332), wk = 0.0026316 k( 204) = ( 0.4795121 0.4838906 0.0301998), wk = 0.0026316 k( 205) = ( 0.4726828 0.4912863 0.0402664), wk = 0.0026316 k( 206) = ( 0.4658536 0.4986821 0.0503330), wk = 0.0026316 k( 207) = ( 0.4590243 0.5060778 0.0603996), wk = 0.0026316 k( 208) = ( 0.4521950 0.5134736 0.0704662), wk = 0.0026316 k( 209) = ( 0.4453657 0.5208693 0.0805327), wk = 0.0026316 k( 210) = ( 0.4385364 0.5282651 0.0905993), wk = 0.0026316 k( 211) = ( 0.4317071 0.5356608 0.1006659), wk = 0.0026316 k( 212) = ( 0.4248779 0.5430566 0.1107325), wk = 0.0026316 k( 213) = ( 0.4180486 0.5504524 0.1207991), wk = 0.0026316 k( 214) = ( 0.4112193 0.5578481 0.1308657), wk = 0.0026316 k( 215) = ( 0.4043900 0.5652439 0.1409323), wk = 0.0026316 k( 216) = ( 0.3975607 0.5726396 0.1509989), wk = 0.0026316 k( 217) = ( 0.3907314 0.5800354 0.1610655), wk = 0.0026316 k( 218) = ( 0.3839021 0.5874311 0.1711321), wk = 0.0026316 k( 219) = ( 0.3770728 0.5948269 0.1811987), wk = 0.0026316 k( 220) = ( 0.3702436 0.6022226 0.1912653), wk = 0.0026316 k( 221) = ( 0.3634143 0.6096184 0.2013319), wk = 0.0026316 k( 222) = ( 0.3565850 0.6170141 0.2113985), wk = 0.0026316 k( 223) = ( 0.3565850 0.6170141 0.2113985), wk = 0.0026316 k( 224) = ( 0.3442889 0.6130339 0.2168160), wk = 0.0026316 k( 225) = ( 0.3319929 0.6090537 0.2222336), wk = 0.0026316 k( 226) = ( 0.3196969 0.6050735 0.2276512), wk = 0.0026316 k( 227) = ( 0.3074009 0.6010933 0.2330688), wk = 0.0026316 k( 228) = ( 0.2951048 0.5971131 0.2384864), wk = 0.0026316 k( 229) = ( 0.2828088 0.5931329 0.2439039), wk = 0.0026316 k( 230) = ( 0.2705128 0.5891527 0.2493215), wk = 0.0026316 k( 231) = ( 0.2582167 0.5851725 0.2547391), wk = 0.0026316 k( 232) = ( 0.2459207 0.5811923 0.2601567), wk = 0.0026316 k( 233) = ( 0.2336246 0.5772121 0.2655742), wk = 0.0026316 k( 234) = ( 0.2213286 0.5732319 0.2709918), wk = 0.0026316 k( 235) = ( 0.2090326 0.5692517 0.2764094), wk = 0.0026316 k( 236) = ( 0.1967365 0.5652715 0.2818270), wk = 0.0026316 k( 237) = ( 0.1844405 0.5612913 0.2872446), wk = 0.0026316 k( 238) = ( 0.1721445 0.5573111 0.2926621), wk = 0.0026316 k( 239) = ( 0.1598484 0.5533309 0.2980797), wk = 0.0026316 k( 240) = ( 0.1475524 0.5493507 0.3034973), wk = 0.0026316 k( 241) = ( 0.1352564 0.5453705 0.3089149), wk = 0.0026316 k( 242) = ( 0.1229603 0.5413903 0.3143324), wk = 0.0026316 k( 243) = ( 0.1106643 0.5374101 0.3197500), wk = 0.0026316 k( 244) = ( 0.0983683 0.5334299 0.3251676), wk = 0.0026316 k( 245) = ( 0.0860722 0.5294497 0.3305852), wk = 0.0026316 k( 246) = ( 0.0737762 0.5254695 0.3360028), wk = 0.0026316 k( 247) = ( 0.0614802 0.5214893 0.3414203), wk = 0.0026316 k( 248) = ( 0.0491841 0.5175091 0.3468379), wk = 0.0026316 k( 249) = ( 0.0368881 0.5135289 0.3522555), wk = 0.0026316 k( 250) = ( 0.0245921 0.5095487 0.3576731), wk = 0.0026316 k( 251) = ( 0.0122960 0.5055685 0.3630907), wk = 0.0026316 k( 252) = ( 0.0000000 0.5015883 0.3685082), wk = 0.0026316 k( 253) = ( 0.0000000 0.5015883 0.3685082), wk = 0.0026316 k( 254) = ( 0.0067568 0.4942711 0.3784679), wk = 0.0026316 k( 255) = ( 0.0135135 0.4869539 0.3884276), wk = 0.0026316 k( 256) = ( 0.0202703 0.4796367 0.3983873), wk = 0.0026316 k( 257) = ( 0.0270270 0.4723195 0.4083470), wk = 0.0026316 k( 258) = ( 0.0337838 0.4650023 0.4183066), wk = 0.0026316 k( 259) = ( 0.0405405 0.4576851 0.4282663), wk = 0.0026316 k( 260) = ( 0.0472973 0.4503678 0.4382260), wk = 0.0026316 k( 261) = ( 0.0540540 0.4430506 0.4481857), wk = 0.0026316 k( 262) = ( 0.0608108 0.4357334 0.4581454), wk = 0.0026316 k( 263) = ( 0.0675676 0.4284162 0.4681051), wk = 0.0026316 k( 264) = ( 0.0743243 0.4210990 0.4780647), wk = 0.0026316 k( 265) = ( 0.0810811 0.4137818 0.4880244), wk = 0.0026316 k( 266) = ( 0.0878378 0.4064646 0.4979841), wk = 0.0026316 k( 267) = ( 0.0945946 0.3991474 0.5079438), wk = 0.0026316 k( 268) = ( 0.1013514 0.3918302 0.5179035), wk = 0.0026316 k( 269) = ( 0.1081081 0.3845130 0.5278631), wk = 0.0026316 k( 270) = ( 0.1148649 0.3771958 0.5378228), wk = 0.0026316 k( 271) = ( 0.1216216 0.3698786 0.5477825), wk = 0.0026316 k( 272) = ( 0.1283784 0.3625614 0.5577422), wk = 0.0026316 k( 273) = ( 0.1351351 0.3552442 0.5677019), wk = 0.0026316 k( 274) = ( 0.1418919 0.3479270 0.5776616), wk = 0.0026316 k( 275) = ( 0.1486486 0.3406098 0.5876212), wk = 0.0026316 k( 276) = ( 0.1554054 0.3332925 0.5975809), wk = 0.0026316 k( 277) = ( 0.1621622 0.3259753 0.6075406), wk = 0.0026316 k( 278) = ( 0.1689189 0.3186581 0.6175003), wk = 0.0026316 k( 279) = ( 0.1756757 0.3113409 0.6274600), wk = 0.0026316 k( 280) = ( 0.1824324 0.3040237 0.6374196), wk = 0.0026316 k( 281) = ( 0.1891892 0.2967065 0.6473793), wk = 0.0026316 k( 282) = ( 0.1959460 0.2893893 0.6573390), wk = 0.0026316 k( 283) = ( 0.2027027 0.2820721 0.6672987), wk = 0.0026316 k( 284) = ( 0.2094595 0.2747549 0.6772584), wk = 0.0026316 k( 285) = ( 0.2162162 0.2674377 0.6872181), wk = 0.0026316 k( 286) = ( 0.2229730 0.2601205 0.6971777), wk = 0.0026316 k( 287) = ( 0.2297297 0.2528033 0.7071374), wk = 0.0026316 k( 288) = ( 0.2364865 0.2454861 0.7170971), wk = 0.0026316 k( 289) = ( 0.2432432 0.2381689 0.7270568), wk = 0.0026316 k( 290) = ( 0.2500000 0.2308517 0.7370165), wk = 0.0026316 k( 291) = ( 0.2500000 0.2308517 0.7370165), wk = 0.0026316 k( 292) = ( 0.2575758 0.2378472 0.7274947), wk = 0.0026316 k( 293) = ( 0.2651515 0.2448427 0.7179729), wk = 0.0026316 k( 294) = ( 0.2727273 0.2518382 0.7084510), wk = 0.0026316 k( 295) = ( 0.2803030 0.2588337 0.6989293), wk = 0.0026316 k( 296) = ( 0.2878788 0.2658292 0.6894074), wk = 0.0026316 k( 297) = ( 0.2954545 0.2728247 0.6798856), wk = 0.0026316 k( 298) = ( 0.3030303 0.2798202 0.6703638), wk = 0.0026316 k( 299) = ( 0.3106061 0.2868157 0.6608420), wk = 0.0026316 k( 300) = ( 0.3181818 0.2938112 0.6513202), wk = 0.0026316 k( 301) = ( 0.3257576 0.3008067 0.6417984), wk = 0.0026316 k( 302) = ( 0.3333333 0.3078022 0.6322766), wk = 0.0026316 k( 303) = ( 0.3409091 0.3147977 0.6227548), wk = 0.0026316 k( 304) = ( 0.3484849 0.3217932 0.6132330), wk = 0.0026316 k( 305) = ( 0.3560606 0.3287887 0.6037112), wk = 0.0026316 k( 306) = ( 0.3636364 0.3357842 0.5941894), wk = 0.0026316 k( 307) = ( 0.3712121 0.3427797 0.5846676), wk = 0.0026316 k( 308) = ( 0.3787879 0.3497753 0.5751458), wk = 0.0026316 k( 309) = ( 0.3863636 0.3567708 0.5656240), wk = 0.0026316 k( 310) = ( 0.3939394 0.3637663 0.5561022), wk = 0.0026316 k( 311) = ( 0.4015151 0.3707618 0.5465804), wk = 0.0026316 k( 312) = ( 0.4090909 0.3777573 0.5370586), wk = 0.0026316 k( 313) = ( 0.4166667 0.3847528 0.5275368), wk = 0.0026316 k( 314) = ( 0.4242424 0.3917483 0.5180150), wk = 0.0026316 k( 315) = ( 0.4318182 0.3987438 0.5084931), wk = 0.0026316 k( 316) = ( 0.4393939 0.4057393 0.4989714), wk = 0.0026316 k( 317) = ( 0.4469697 0.4127348 0.4894496), wk = 0.0026316 k( 318) = ( 0.4545455 0.4197303 0.4799277), wk = 0.0026316 k( 319) = ( 0.4621212 0.4267258 0.4704059), wk = 0.0026316 k( 320) = ( 0.4696970 0.4337213 0.4608841), wk = 0.0026316 k( 321) = ( 0.4772727 0.4407168 0.4513623), wk = 0.0026316 k( 322) = ( 0.4848485 0.4477123 0.4418405), wk = 0.0026316 k( 323) = ( 0.4924242 0.4547078 0.4323187), wk = 0.0026316 k( 324) = ( 0.5000000 0.4617033 0.4227969), wk = 0.0026316 k( 325) = ( 0.5000000 0.4617033 0.4227969), wk = 0.0026316 k( 326) = ( 0.5000000 0.4617033 0.4087037), wk = 0.0026316 k( 327) = ( 0.5000000 0.4617033 0.3946105), wk = 0.0026316 k( 328) = ( 0.5000000 0.4617033 0.3805172), wk = 0.0026316 k( 329) = ( 0.5000000 0.4617033 0.3664240), wk = 0.0026316 k( 330) = ( 0.5000000 0.4617033 0.3523308), wk = 0.0026316 k( 331) = ( 0.5000000 0.4617033 0.3382375), wk = 0.0026316 k( 332) = ( 0.5000000 0.4617033 0.3241443), wk = 0.0026316 k( 333) = ( 0.5000000 0.4617033 0.3100511), wk = 0.0026316 k( 334) = ( 0.5000000 0.4617033 0.2959578), wk = 0.0026316 k( 335) = ( 0.5000000 0.4617033 0.2818646), wk = 0.0026316 k( 336) = ( 0.5000000 0.4617033 0.2677714), wk = 0.0026316 k( 337) = ( 0.5000000 0.4617033 0.2536781), wk = 0.0026316 k( 338) = ( 0.5000000 0.4617033 0.2395849), wk = 0.0026316 k( 339) = ( 0.5000000 0.4617033 0.2254917), wk = 0.0026316 k( 340) = ( 0.5000000 0.4617033 0.2113985), wk = 0.0026316 k( 341) = ( 0.5000000 0.4617033 0.1973052), wk = 0.0026316 k( 342) = ( 0.5000000 0.4617033 0.1832120), wk = 0.0026316 k( 343) = ( 0.5000000 0.4617033 0.1691188), wk = 0.0026316 k( 344) = ( 0.5000000 0.4617033 0.1550255), wk = 0.0026316 k( 345) = ( 0.5000000 0.4617033 0.1409323), wk = 0.0026316 k( 346) = ( 0.5000000 0.4617033 0.1268391), wk = 0.0026316 k( 347) = ( 0.5000000 0.4617033 0.1127458), wk = 0.0026316 k( 348) = ( 0.5000000 0.4617033 0.0986526), wk = 0.0026316 k( 349) = ( 0.5000000 0.4617033 0.0845594), wk = 0.0026316 k( 350) = ( 0.5000000 0.4617033 0.0704662), wk = 0.0026316 k( 351) = ( 0.5000000 0.4617033 0.0563729), wk = 0.0026316 k( 352) = ( 0.5000000 0.4617033 0.0422797), wk = 0.0026316 k( 353) = ( 0.5000000 0.4617033 0.0281865), wk = 0.0026316 k( 354) = ( 0.5000000 0.4617033 0.0140932), wk = 0.0026316 k( 355) = ( 0.5000000 0.4617033 0.0000000), wk = 0.0026316 k( 356) = ( 0.0000000 0.0000000 0.7370165), wk = 0.0026316 k( 357) = ( 0.0104167 0.0096188 0.7370165), wk = 0.0026316 k( 358) = ( 0.0208333 0.0192376 0.7370165), wk = 0.0026316 k( 359) = ( 0.0312500 0.0288565 0.7370165), wk = 0.0026316 k( 360) = ( 0.0416667 0.0384753 0.7370165), wk = 0.0026316 k( 361) = ( 0.0520833 0.0480941 0.7370165), wk = 0.0026316 k( 362) = ( 0.0625000 0.0577129 0.7370165), wk = 0.0026316 k( 363) = ( 0.0729167 0.0673317 0.7370165), wk = 0.0026316 k( 364) = ( 0.0833333 0.0769506 0.7370165), wk = 0.0026316 k( 365) = ( 0.0937500 0.0865694 0.7370165), wk = 0.0026316 k( 366) = ( 0.1041667 0.0961882 0.7370165), wk = 0.0026316 k( 367) = ( 0.1145833 0.1058070 0.7370165), wk = 0.0026316 k( 368) = ( 0.1250000 0.1154258 0.7370165), wk = 0.0026316 k( 369) = ( 0.1354167 0.1250447 0.7370165), wk = 0.0026316 k( 370) = ( 0.1458333 0.1346635 0.7370165), wk = 0.0026316 k( 371) = ( 0.1562500 0.1442823 0.7370165), wk = 0.0026316 k( 372) = ( 0.1666667 0.1539011 0.7370165), wk = 0.0026316 k( 373) = ( 0.1770833 0.1635199 0.7370165), wk = 0.0026316 k( 374) = ( 0.1875000 0.1731387 0.7370165), wk = 0.0026316 k( 375) = ( 0.1979167 0.1827576 0.7370165), wk = 0.0026316 k( 376) = ( 0.2083333 0.1923764 0.7370165), wk = 0.0026316 k( 377) = ( 0.2187500 0.2019952 0.7370165), wk = 0.0026316 k( 378) = ( 0.2291667 0.2116140 0.7370165), wk = 0.0026316 k( 379) = ( 0.2395833 0.2212328 0.7370165), wk = 0.0026316 k( 380) = ( 0.2500000 0.2308517 0.7370165), wk = 0.0026316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0026316 k( 3) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0026316 k( 4) = ( 0.0000000 0.0000000 0.0288462), wk = 0.0026316 k( 5) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026316 k( 6) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0026316 k( 7) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0026316 k( 8) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0026316 k( 9) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026316 k( 10) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0026316 k( 11) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0026316 k( 12) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0026316 k( 13) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026316 k( 14) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026316 k( 15) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0026316 k( 16) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0026316 k( 17) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0026316 k( 18) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0026316 k( 19) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0026316 k( 20) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0026316 k( 21) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026316 k( 22) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0026316 k( 23) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0026316 k( 24) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0026316 k( 25) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026316 k( 26) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0026316 k( 27) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026316 k( 28) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0026316 k( 29) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026316 k( 30) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0026316 k( 31) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0026316 k( 32) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0026316 k( 33) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026316 k( 34) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0026316 k( 35) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0026316 k( 36) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0026316 k( 37) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026316 k( 38) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0026316 k( 39) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0026316 k( 40) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026316 k( 41) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026316 k( 42) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0026316 k( 43) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0026316 k( 44) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0026316 k( 45) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026316 k( 46) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0026316 k( 47) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0026316 k( 48) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0026316 k( 49) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026316 k( 50) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0026316 k( 51) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0026316 k( 52) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0026316 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 55) = ( -0.0096895 0.0096895 0.5000000), wk = 0.0026316 k( 56) = ( -0.0193791 0.0193791 0.5000000), wk = 0.0026316 k( 57) = ( -0.0290686 0.0290686 0.5000000), wk = 0.0026316 k( 58) = ( -0.0387582 0.0387582 0.5000000), wk = 0.0026316 k( 59) = ( -0.0484477 0.0484477 0.5000000), wk = 0.0026316 k( 60) = ( -0.0581373 0.0581373 0.5000000), wk = 0.0026316 k( 61) = ( -0.0678268 0.0678268 0.5000000), wk = 0.0026316 k( 62) = ( -0.0775163 0.0775163 0.5000000), wk = 0.0026316 k( 63) = ( -0.0872059 0.0872059 0.5000000), wk = 0.0026316 k( 64) = ( -0.0968954 0.0968954 0.5000000), wk = 0.0026316 k( 65) = ( -0.1065850 0.1065850 0.5000000), wk = 0.0026316 k( 66) = ( -0.1162745 0.1162745 0.5000000), wk = 0.0026316 k( 67) = ( -0.1259641 0.1259641 0.5000000), wk = 0.0026316 k( 68) = ( -0.1356536 0.1356536 0.5000000), wk = 0.0026316 k( 69) = ( -0.1453432 0.1453432 0.5000000), wk = 0.0026316 k( 70) = ( -0.1550327 0.1550327 0.5000000), wk = 0.0026316 k( 71) = ( -0.1647222 0.1647222 0.5000000), wk = 0.0026316 k( 72) = ( -0.1744118 0.1744118 0.5000000), wk = 0.0026316 k( 73) = ( -0.1841013 0.1841013 0.5000000), wk = 0.0026316 k( 74) = ( -0.1937909 0.1937909 0.5000000), wk = 0.0026316 k( 75) = ( -0.2034804 0.2034804 0.5000000), wk = 0.0026316 k( 76) = ( -0.2131700 0.2131700 0.5000000), wk = 0.0026316 k( 77) = ( -0.2131700 0.2131700 0.5000000), wk = 0.0026316 k( 78) = ( -0.2199993 0.2199993 0.4931707), wk = 0.0026316 k( 79) = ( -0.2268285 0.2268285 0.4863414), wk = 0.0026316 k( 80) = ( -0.2336578 0.2336578 0.4795121), wk = 0.0026316 k( 81) = ( -0.2404871 0.2404871 0.4726829), wk = 0.0026316 k( 82) = ( -0.2473164 0.2473164 0.4658536), wk = 0.0026316 k( 83) = ( -0.2541457 0.2541457 0.4590243), wk = 0.0026316 k( 84) = ( -0.2609750 0.2609750 0.4521950), wk = 0.0026316 k( 85) = ( -0.2678043 0.2678043 0.4453657), wk = 0.0026316 k( 86) = ( -0.2746336 0.2746336 0.4385364), wk = 0.0026316 k( 87) = ( -0.2814628 0.2814628 0.4317071), wk = 0.0026316 k( 88) = ( -0.2882921 0.2882921 0.4248779), wk = 0.0026316 k( 89) = ( -0.2951214 0.2951214 0.4180486), wk = 0.0026316 k( 90) = ( -0.3019507 0.3019507 0.4112193), wk = 0.0026316 k( 91) = ( -0.3087800 0.3087800 0.4043900), wk = 0.0026316 k( 92) = ( -0.3156093 0.3156093 0.3975607), wk = 0.0026316 k( 93) = ( -0.3224385 0.3224385 0.3907314), wk = 0.0026316 k( 94) = ( -0.3292678 0.3292678 0.3839021), wk = 0.0026316 k( 95) = ( -0.3360971 0.3360971 0.3770728), wk = 0.0026316 k( 96) = ( -0.3429264 0.3429264 0.3702436), wk = 0.0026316 k( 97) = ( -0.3497557 0.3497557 0.3634143), wk = 0.0026316 k( 98) = ( -0.3565850 0.3565850 0.3565850), wk = 0.0026316 k( 99) = ( -0.3565850 0.3565850 0.3565850), wk = 0.0026316 k( 100) = ( -0.3497276 0.3497276 0.3497276), wk = 0.0026316 k( 101) = ( -0.3428702 0.3428702 0.3428702), wk = 0.0026316 k( 102) = ( -0.3360128 0.3360128 0.3360128), wk = 0.0026316 k( 103) = ( -0.3291554 0.3291554 0.3291554), wk = 0.0026316 k( 104) = ( -0.3222980 0.3222980 0.3222980), wk = 0.0026316 k( 105) = ( -0.3154406 0.3154406 0.3154406), wk = 0.0026316 k( 106) = ( -0.3085832 0.3085832 0.3085832), wk = 0.0026316 k( 107) = ( -0.3017258 0.3017258 0.3017258), wk = 0.0026316 k( 108) = ( -0.2948684 0.2948684 0.2948684), wk = 0.0026316 k( 109) = ( -0.2880109 0.2880109 0.2880109), wk = 0.0026316 k( 110) = ( -0.2811535 0.2811535 0.2811535), wk = 0.0026316 k( 111) = ( -0.2742961 0.2742961 0.2742961), wk = 0.0026316 k( 112) = ( -0.2674387 0.2674387 0.2674387), wk = 0.0026316 k( 113) = ( -0.2605813 0.2605813 0.2605813), wk = 0.0026316 k( 114) = ( -0.2537239 0.2537239 0.2537239), wk = 0.0026316 k( 115) = ( -0.2468665 0.2468665 0.2468665), wk = 0.0026316 k( 116) = ( -0.2400091 0.2400091 0.2400091), wk = 0.0026316 k( 117) = ( -0.2331517 0.2331517 0.2331517), wk = 0.0026316 k( 118) = ( -0.2262943 0.2262943 0.2262943), wk = 0.0026316 k( 119) = ( -0.2194369 0.2194369 0.2194369), wk = 0.0026316 k( 120) = ( -0.2125795 0.2125795 0.2125795), wk = 0.0026316 k( 121) = ( -0.2057221 0.2057221 0.2057221), wk = 0.0026316 k( 122) = ( -0.1988647 0.1988647 0.1988647), wk = 0.0026316 k( 123) = ( -0.1920073 0.1920073 0.1920073), wk = 0.0026316 k( 124) = ( -0.1851499 0.1851499 0.1851499), wk = 0.0026316 k( 125) = ( -0.1782925 0.1782925 0.1782925), wk = 0.0026316 k( 126) = ( -0.1714351 0.1714351 0.1714351), wk = 0.0026316 k( 127) = ( -0.1645777 0.1645777 0.1645777), wk = 0.0026316 k( 128) = ( -0.1577203 0.1577203 0.1577203), wk = 0.0026316 k( 129) = ( -0.1508629 0.1508629 0.1508629), wk = 0.0026316 k( 130) = ( -0.1440055 0.1440055 0.1440055), wk = 0.0026316 k( 131) = ( -0.1371481 0.1371481 0.1371481), wk = 0.0026316 k( 132) = ( -0.1302907 0.1302907 0.1302907), wk = 0.0026316 k( 133) = ( -0.1234333 0.1234333 0.1234333), wk = 0.0026316 k( 134) = ( -0.1165759 0.1165759 0.1165759), wk = 0.0026316 k( 135) = ( -0.1097185 0.1097185 0.1097185), wk = 0.0026316 k( 136) = ( -0.1028610 0.1028610 0.1028611), wk = 0.0026316 k( 137) = ( -0.0960036 0.0960036 0.0960036), wk = 0.0026316 k( 138) = ( -0.0891462 0.0891462 0.0891463), wk = 0.0026316 k( 139) = ( -0.0822888 0.0822888 0.0822888), wk = 0.0026316 k( 140) = ( -0.0754314 0.0754314 0.0754314), wk = 0.0026316 k( 141) = ( -0.0685740 0.0685740 0.0685740), wk = 0.0026316 k( 142) = ( -0.0617166 0.0617166 0.0617166), wk = 0.0026316 k( 143) = ( -0.0548592 0.0548592 0.0548592), wk = 0.0026316 k( 144) = ( -0.0480018 0.0480018 0.0480018), wk = 0.0026316 k( 145) = ( -0.0411444 0.0411444 0.0411444), wk = 0.0026316 k( 146) = ( -0.0342870 0.0342870 0.0342870), wk = 0.0026316 k( 147) = ( -0.0274296 0.0274296 0.0274296), wk = 0.0026316 k( 148) = ( -0.0205722 0.0205722 0.0205722), wk = 0.0026316 k( 149) = ( -0.0137148 0.0137148 0.0137148), wk = 0.0026316 k( 150) = ( -0.0068574 0.0068574 0.0068574), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 153) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026316 k( 154) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026316 k( 155) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026316 k( 156) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026316 k( 157) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026316 k( 158) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026316 k( 159) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026316 k( 160) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026316 k( 161) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026316 k( 162) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026316 k( 163) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026316 k( 164) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026316 k( 165) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026316 k( 166) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026316 k( 167) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026316 k( 168) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026316 k( 169) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026316 k( 170) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026316 k( 171) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026316 k( 172) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026316 k( 173) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026316 k( 174) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026316 k( 175) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026316 k( 176) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026316 k( 177) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026316 k( 178) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026316 k( 179) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026316 k( 180) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026316 k( 181) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026316 k( 182) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026316 k( 183) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026316 k( 184) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026316 k( 185) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026316 k( 186) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026316 k( 187) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026316 k( 188) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026316 k( 189) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026316 k( 190) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026316 k( 191) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026316 k( 192) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026316 k( 193) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026316 k( 194) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026316 k( 195) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026316 k( 196) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026316 k( 197) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026316 k( 198) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026316 k( 199) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026316 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026316 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026316 k( 202) = ( 0.4931707 0.5068293 -0.4931707), wk = 0.0026316 k( 203) = ( 0.4863414 0.5136586 -0.4863414), wk = 0.0026316 k( 204) = ( 0.4795121 0.5204879 -0.4795121), wk = 0.0026316 k( 205) = ( 0.4726828 0.5273172 -0.4726829), wk = 0.0026316 k( 206) = ( 0.4658536 0.5341464 -0.4658536), wk = 0.0026316 k( 207) = ( 0.4590243 0.5409757 -0.4590243), wk = 0.0026316 k( 208) = ( 0.4521950 0.5478050 -0.4521950), wk = 0.0026316 k( 209) = ( 0.4453657 0.5546343 -0.4453657), wk = 0.0026316 k( 210) = ( 0.4385364 0.5614636 -0.4385364), wk = 0.0026316 k( 211) = ( 0.4317071 0.5682929 -0.4317071), wk = 0.0026316 k( 212) = ( 0.4248779 0.5751221 -0.4248779), wk = 0.0026316 k( 213) = ( 0.4180486 0.5819514 -0.4180486), wk = 0.0026316 k( 214) = ( 0.4112193 0.5887807 -0.4112193), wk = 0.0026316 k( 215) = ( 0.4043900 0.5956100 -0.4043900), wk = 0.0026316 k( 216) = ( 0.3975607 0.6024393 -0.3975607), wk = 0.0026316 k( 217) = ( 0.3907314 0.6092686 -0.3907314), wk = 0.0026316 k( 218) = ( 0.3839021 0.6160979 -0.3839021), wk = 0.0026316 k( 219) = ( 0.3770728 0.6229272 -0.3770728), wk = 0.0026316 k( 220) = ( 0.3702436 0.6297564 -0.3702436), wk = 0.0026316 k( 221) = ( 0.3634143 0.6365857 -0.3634143), wk = 0.0026316 k( 222) = ( 0.3565850 0.6434150 -0.3565850), wk = 0.0026316 k( 223) = ( 0.3565850 0.6434150 -0.3565850), wk = 0.0026316 k( 224) = ( 0.3442889 0.6384697 -0.3442890), wk = 0.0026316 k( 225) = ( 0.3319929 0.6335243 -0.3319929), wk = 0.0026316 k( 226) = ( 0.3196969 0.6285790 -0.3196969), wk = 0.0026316 k( 227) = ( 0.3074009 0.6236336 -0.3074009), wk = 0.0026316 k( 228) = ( 0.2951048 0.6186883 -0.2951048), wk = 0.0026316 k( 229) = ( 0.2828088 0.6137429 -0.2828088), wk = 0.0026316 k( 230) = ( 0.2705128 0.6087976 -0.2705128), wk = 0.0026316 k( 231) = ( 0.2582167 0.6038522 -0.2582167), wk = 0.0026316 k( 232) = ( 0.2459207 0.5989069 -0.2459207), wk = 0.0026316 k( 233) = ( 0.2336246 0.5939616 -0.2336246), wk = 0.0026316 k( 234) = ( 0.2213286 0.5890162 -0.2213286), wk = 0.0026316 k( 235) = ( 0.2090326 0.5840709 -0.2090326), wk = 0.0026316 k( 236) = ( 0.1967365 0.5791255 -0.1967365), wk = 0.0026316 k( 237) = ( 0.1844405 0.5741802 -0.1844405), wk = 0.0026316 k( 238) = ( 0.1721445 0.5692348 -0.1721445), wk = 0.0026316 k( 239) = ( 0.1598484 0.5642895 -0.1598484), wk = 0.0026316 k( 240) = ( 0.1475524 0.5593441 -0.1475524), wk = 0.0026316 k( 241) = ( 0.1352564 0.5543988 -0.1352564), wk = 0.0026316 k( 242) = ( 0.1229603 0.5494534 -0.1229603), wk = 0.0026316 k( 243) = ( 0.1106643 0.5445081 -0.1106643), wk = 0.0026316 k( 244) = ( 0.0983683 0.5395628 -0.0983683), wk = 0.0026316 k( 245) = ( 0.0860722 0.5346174 -0.0860722), wk = 0.0026316 k( 246) = ( 0.0737762 0.5296721 -0.0737762), wk = 0.0026316 k( 247) = ( 0.0614802 0.5247267 -0.0614802), wk = 0.0026316 k( 248) = ( 0.0491841 0.5197814 -0.0491841), wk = 0.0026316 k( 249) = ( 0.0368881 0.5148360 -0.0368881), wk = 0.0026316 k( 250) = ( 0.0245921 0.5098907 -0.0245921), wk = 0.0026316 k( 251) = ( 0.0122960 0.5049453 -0.0122960), wk = 0.0026316 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 253) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 254) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0026316 k( 255) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0026316 k( 256) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0026316 k( 257) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0026316 k( 258) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0026316 k( 259) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0026316 k( 260) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0026316 k( 261) = ( 0.0540540 0.4459459 0.0540541), wk = 0.0026316 k( 262) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0026316 k( 263) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0026316 k( 264) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0026316 k( 265) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0026316 k( 266) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0026316 k( 267) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0026316 k( 268) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0026316 k( 269) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0026316 k( 270) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0026316 k( 271) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0026316 k( 272) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0026316 k( 273) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0026316 k( 274) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0026316 k( 275) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0026316 k( 276) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0026316 k( 277) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0026316 k( 278) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0026316 k( 279) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0026316 k( 280) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0026316 k( 281) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0026316 k( 282) = ( 0.1959460 0.3040541 0.1959460), wk = 0.0026316 k( 283) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0026316 k( 284) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0026316 k( 285) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0026316 k( 286) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0026316 k( 287) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0026316 k( 288) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0026316 k( 289) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0026316 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 k( 291) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 k( 292) = ( 0.2575758 0.2575758 0.2359646), wk = 0.0026316 k( 293) = ( 0.2651515 0.2651515 0.2219291), wk = 0.0026316 k( 294) = ( 0.2727273 0.2727273 0.2078936), wk = 0.0026316 k( 295) = ( 0.2803030 0.2803030 0.1938582), wk = 0.0026316 k( 296) = ( 0.2878788 0.2878788 0.1798227), wk = 0.0026316 k( 297) = ( 0.2954545 0.2954545 0.1657873), wk = 0.0026316 k( 298) = ( 0.3030303 0.3030303 0.1517518), wk = 0.0026316 k( 299) = ( 0.3106061 0.3106061 0.1377164), wk = 0.0026316 k( 300) = ( 0.3181818 0.3181818 0.1236809), wk = 0.0026316 k( 301) = ( 0.3257576 0.3257576 0.1096455), wk = 0.0026316 k( 302) = ( 0.3333333 0.3333333 0.0956100), wk = 0.0026316 k( 303) = ( 0.3409091 0.3409091 0.0815746), wk = 0.0026316 k( 304) = ( 0.3484849 0.3484849 0.0675391), wk = 0.0026316 k( 305) = ( 0.3560606 0.3560606 0.0535037), wk = 0.0026316 k( 306) = ( 0.3636364 0.3636364 0.0394682), wk = 0.0026316 k( 307) = ( 0.3712121 0.3712121 0.0254327), wk = 0.0026316 k( 308) = ( 0.3787879 0.3787879 0.0113973), wk = 0.0026316 k( 309) = ( 0.3863636 0.3863636 -0.0026382), wk = 0.0026316 k( 310) = ( 0.3939394 0.3939394 -0.0166736), wk = 0.0026316 k( 311) = ( 0.4015151 0.4015151 -0.0307091), wk = 0.0026316 k( 312) = ( 0.4090909 0.4090909 -0.0447445), wk = 0.0026316 k( 313) = ( 0.4166667 0.4166667 -0.0587800), wk = 0.0026316 k( 314) = ( 0.4242424 0.4242424 -0.0728154), wk = 0.0026316 k( 315) = ( 0.4318182 0.4318182 -0.0868509), wk = 0.0026316 k( 316) = ( 0.4393939 0.4393939 -0.1008863), wk = 0.0026316 k( 317) = ( 0.4469697 0.4469697 -0.1149218), wk = 0.0026316 k( 318) = ( 0.4545455 0.4545455 -0.1289573), wk = 0.0026316 k( 319) = ( 0.4621212 0.4621212 -0.1429927), wk = 0.0026316 k( 320) = ( 0.4696970 0.4696970 -0.1570281), wk = 0.0026316 k( 321) = ( 0.4772727 0.4772727 -0.1710636), wk = 0.0026316 k( 322) = ( 0.4848485 0.4848485 -0.1850991), wk = 0.0026316 k( 323) = ( 0.4924242 0.4924242 -0.1991345), wk = 0.0026316 k( 324) = ( 0.5000000 0.5000000 -0.2131700), wk = 0.0026316 k( 325) = ( 0.5000000 0.5000000 -0.2131700), wk = 0.0026316 k( 326) = ( 0.5000000 0.5000000 -0.2227310), wk = 0.0026316 k( 327) = ( 0.5000000 0.5000000 -0.2322920), wk = 0.0026316 k( 328) = ( 0.5000000 0.5000000 -0.2418530), wk = 0.0026316 k( 329) = ( 0.5000000 0.5000000 -0.2514140), wk = 0.0026316 k( 330) = ( 0.5000000 0.5000000 -0.2609750), wk = 0.0026316 k( 331) = ( 0.5000000 0.5000000 -0.2705360), wk = 0.0026316 k( 332) = ( 0.5000000 0.5000000 -0.2800970), wk = 0.0026316 k( 333) = ( 0.5000000 0.5000000 -0.2896580), wk = 0.0026316 k( 334) = ( 0.5000000 0.5000000 -0.2992190), wk = 0.0026316 k( 335) = ( 0.5000000 0.5000000 -0.3087800), wk = 0.0026316 k( 336) = ( 0.5000000 0.5000000 -0.3183410), wk = 0.0026316 k( 337) = ( 0.5000000 0.5000000 -0.3279020), wk = 0.0026316 k( 338) = ( 0.5000000 0.5000000 -0.3374630), wk = 0.0026316 k( 339) = ( 0.5000000 0.5000000 -0.3470240), wk = 0.0026316 k( 340) = ( 0.5000000 0.5000000 -0.3565850), wk = 0.0026316 k( 341) = ( 0.5000000 0.5000000 -0.3661460), wk = 0.0026316 k( 342) = ( 0.5000000 0.5000000 -0.3757070), wk = 0.0026316 k( 343) = ( 0.5000000 0.5000000 -0.3852680), wk = 0.0026316 k( 344) = ( 0.5000000 0.5000000 -0.3948290), wk = 0.0026316 k( 345) = ( 0.5000000 0.5000000 -0.4043900), wk = 0.0026316 k( 346) = ( 0.5000000 0.5000000 -0.4139510), wk = 0.0026316 k( 347) = ( 0.5000000 0.5000000 -0.4235120), wk = 0.0026316 k( 348) = ( 0.5000000 0.5000000 -0.4330730), wk = 0.0026316 k( 349) = ( 0.5000000 0.5000000 -0.4426340), wk = 0.0026316 k( 350) = ( 0.5000000 0.5000000 -0.4521950), wk = 0.0026316 k( 351) = ( 0.5000000 0.5000000 -0.4617560), wk = 0.0026316 k( 352) = ( 0.5000000 0.5000000 -0.4713170), wk = 0.0026316 k( 353) = ( 0.5000000 0.5000000 -0.4808780), wk = 0.0026316 k( 354) = ( 0.5000000 0.5000000 -0.4904390), wk = 0.0026316 k( 355) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026316 k( 356) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 357) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026316 k( 358) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026316 k( 359) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026316 k( 360) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026316 k( 361) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026316 k( 362) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026316 k( 363) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026316 k( 364) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026316 k( 365) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026316 k( 366) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026316 k( 367) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026316 k( 368) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026316 k( 369) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026316 k( 370) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026316 k( 371) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026316 k( 372) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026316 k( 373) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026316 k( 374) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026316 k( 375) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026316 k( 376) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026316 k( 377) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026316 k( 378) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026316 k( 379) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026316 k( 380) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 Dense grid: 41881 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18403 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 104, 40) NL pseudopotentials 0.08 Mb ( 52, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 873) G-vector shells 0.00 Mb ( 426) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 104, 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 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.5 secs Computing kpt #: 4 total cpu time spent up to now is 47.6 secs Computing kpt #: 5 total cpu time spent up to now is 48.8 secs Computing kpt #: 6 total cpu time spent up to now is 50.1 secs Computing kpt #: 7 total cpu time spent up to now is 51.2 secs Computing kpt #: 8 total cpu time spent up to now is 52.5 secs Computing kpt #: 9 total cpu time spent up to now is 53.9 secs Computing kpt #: 10 total cpu time spent up to now is 55.5 secs Computing kpt #: 11 total cpu time spent up to now is 56.7 secs Computing kpt #: 12 total cpu time spent up to now is 57.9 secs Computing kpt #: 13 total cpu time spent up to now is 59.1 secs Computing kpt #: 14 total cpu time spent up to now is 60.3 secs Computing kpt #: 15 total cpu time spent up to now is 61.6 secs Computing kpt #: 16 total cpu time spent up to now is 62.7 secs Computing kpt #: 17 total cpu time spent up to now is 63.9 secs Computing kpt #: 18 total cpu time spent up to now is 65.3 secs Computing kpt #: 19 total cpu time spent up to now is 66.4 secs Computing kpt #: 20 total cpu time spent up to now is 67.6 secs Computing kpt #: 21 total cpu time spent up to now is 68.8 secs Computing kpt #: 22 total cpu time spent up to now is 70.0 secs Computing kpt #: 23 total cpu time spent up to now is 71.2 secs Computing kpt #: 24 total cpu time spent up to now is 72.3 secs Computing kpt #: 25 total cpu time spent up to now is 73.5 secs Computing kpt #: 26 total cpu time spent up to now is 74.7 secs Computing kpt #: 27 total cpu time spent up to now is 76.0 secs Computing kpt #: 28 total cpu time spent up to now is 77.2 secs Computing kpt #: 29 total cpu time spent up to now is 78.3 secs Computing kpt #: 30 total cpu time spent up to now is 79.5 secs Computing kpt #: 31 total cpu time spent up to now is 80.8 secs Computing kpt #: 32 total cpu time spent up to now is 82.2 secs Computing kpt #: 33 total cpu time spent up to now is 83.4 secs Computing kpt #: 34 total cpu time spent up to now is 84.7 secs Computing kpt #: 35 total cpu time spent up to now is 86.0 secs Computing kpt #: 36 total cpu time spent up to now is 87.3 secs Computing kpt #: 37 total cpu time spent up to now is 88.5 secs Computing kpt #: 38 total cpu time spent up to now is 89.8 secs Computing kpt #: 39 total cpu time spent up to now is 91.2 secs Computing kpt #: 40 total cpu time spent up to now is 92.6 secs Computing kpt #: 41 total cpu time spent up to now is 93.8 secs Computing kpt #: 42 total cpu time spent up to now is 95.1 secs Computing kpt #: 43 total cpu time spent up to now is 96.4 secs Computing kpt #: 44 total cpu time spent up to now is 97.6 secs Computing kpt #: 45 total cpu time spent up to now is 99.0 secs Computing kpt #: 46 total cpu time spent up to now is 100.4 secs Computing kpt #: 47 total cpu time spent up to now is 101.6 secs Computing kpt #: 48 total cpu time spent up to now is 102.8 secs Computing kpt #: 49 total cpu time spent up to now is 104.1 secs Computing kpt #: 50 total cpu time spent up to now is 105.4 secs Computing kpt #: 51 total cpu time spent up to now is 106.7 secs Computing kpt #: 52 total cpu time spent up to now is 107.9 secs Computing kpt #: 53 total cpu time spent up to now is 109.1 secs Computing kpt #: 54 total cpu time spent up to now is 110.5 secs Computing kpt #: 55 total cpu time spent up to now is 111.8 secs Computing kpt #: 56 total cpu time spent up to now is 113.0 secs Computing kpt #: 57 total cpu time spent up to now is 114.3 secs Computing kpt #: 58 total cpu time spent up to now is 115.5 secs Computing kpt #: 59 total cpu time spent up to now is 116.8 secs Computing kpt #: 60 total cpu time spent up to now is 118.2 secs Computing kpt #: 61 total cpu time spent up to now is 119.4 secs Computing kpt #: 62 total cpu time spent up to now is 120.9 secs Computing kpt #: 63 total cpu time spent up to now is 122.1 secs Computing kpt #: 64 total cpu time spent up to now is 123.4 secs Computing kpt #: 65 total cpu time spent up to now is 124.8 secs Computing kpt #: 66 total cpu time spent up to now is 126.2 secs Computing kpt #: 67 total cpu time spent up to now is 127.6 secs Computing kpt #: 68 total cpu time spent up to now is 128.8 secs Computing kpt #: 69 total cpu time spent up to now is 130.0 secs Computing kpt #: 70 total cpu time spent up to now is 131.2 secs Computing kpt #: 71 total cpu time spent up to now is 132.4 secs Computing kpt #: 72 total cpu time spent up to now is 133.6 secs Computing kpt #: 73 total cpu time spent up to now is 134.8 secs Computing kpt #: 74 total cpu time spent up to now is 136.0 secs Computing kpt #: 75 total cpu time spent up to now is 137.1 secs Computing kpt #: 76 total cpu time spent up to now is 138.2 secs Computing kpt #: 77 total cpu time spent up to now is 139.4 secs Computing kpt #: 78 total cpu time spent up to now is 140.5 secs Computing kpt #: 79 total cpu time spent up to now is 141.7 secs Computing kpt #: 80 total cpu time spent up to now is 142.8 secs Computing kpt #: 81 total cpu time spent up to now is 143.9 secs Computing kpt #: 82 total cpu time spent up to now is 145.0 secs Computing kpt #: 83 total cpu time spent up to now is 146.1 secs Computing kpt #: 84 total cpu time spent up to now is 147.2 secs Computing kpt #: 85 total cpu time spent up to now is 148.3 secs Computing kpt #: 86 total cpu time spent up to now is 149.4 secs Computing kpt #: 87 total cpu time spent up to now is 150.9 secs Computing kpt #: 88 total cpu time spent up to now is 152.1 secs Computing kpt #: 89 total cpu time spent up to now is 153.4 secs Computing kpt #: 90 total cpu time spent up to now is 154.7 secs Computing kpt #: 91 total cpu time spent up to now is 156.1 secs Computing kpt #: 92 total cpu time spent up to now is 157.4 secs Computing kpt #: 93 total cpu time spent up to now is 158.7 secs Computing kpt #: 94 total cpu time spent up to now is 160.1 secs Computing kpt #: 95 total cpu time spent up to now is 161.2 secs Computing kpt #: 96 total cpu time spent up to now is 162.3 secs Computing kpt #: 97 total cpu time spent up to now is 163.4 secs Computing kpt #: 98 total cpu time spent up to now is 164.4 secs Computing kpt #: 99 total cpu time spent up to now is 165.8 secs Computing kpt #: 100 total cpu time spent up to now is 167.0 secs Computing kpt #: 101 total cpu time spent up to now is 168.1 secs Computing kpt #: 102 total cpu time spent up to now is 169.2 secs Computing kpt #: 103 total cpu time spent up to now is 170.4 secs Computing kpt #: 104 total cpu time spent up to now is 171.6 secs Computing kpt #: 105 total cpu time spent up to now is 172.7 secs Computing kpt #: 106 total cpu time spent up to now is 173.9 secs Computing kpt #: 107 total cpu time spent up to now is 175.1 secs Computing kpt #: 108 total cpu time spent up to now is 176.3 secs Computing kpt #: 109 total cpu time spent up to now is 177.4 secs Computing kpt #: 110 total cpu time spent up to now is 178.6 secs Computing kpt #: 111 total cpu time spent up to now is 179.7 secs Computing kpt #: 112 total cpu time spent up to now is 181.0 secs Computing kpt #: 113 total cpu time spent up to now is 182.2 secs Computing kpt #: 114 total cpu time spent up to now is 183.3 secs Computing kpt #: 115 total cpu time spent up to now is 184.5 secs Computing kpt #: 116 total cpu time spent up to now is 185.6 secs Computing kpt #: 117 total cpu time spent up to now is 186.8 secs Computing kpt #: 118 total cpu time spent up to now is 188.4 secs Computing kpt #: 119 total cpu time spent up to now is 190.3 secs Computing kpt #: 120 total cpu time spent up to now is 192.1 secs Computing kpt #: 121 total cpu time spent up to now is 193.8 secs Computing kpt #: 122 total cpu time spent up to now is 195.1 secs Computing kpt #: 123 total cpu time spent up to now is 196.3 secs Computing kpt #: 124 total cpu time spent up to now is 197.7 secs Computing kpt #: 125 total cpu time spent up to now is 199.0 secs Computing kpt #: 126 total cpu time spent up to now is 200.2 secs Computing kpt #: 127 total cpu time spent up to now is 201.5 secs Computing kpt #: 128 total cpu time spent up to now is 202.7 secs Computing kpt #: 129 total cpu time spent up to now is 204.0 secs Computing kpt #: 130 total cpu time spent up to now is 205.2 secs Computing kpt #: 131 total cpu time spent up to now is 206.4 secs Computing kpt #: 132 total cpu time spent up to now is 207.6 secs Computing kpt #: 133 total cpu time spent up to now is 208.7 secs Computing kpt #: 134 total cpu time spent up to now is 210.0 secs Computing kpt #: 135 total cpu time spent up to now is 211.2 secs Computing kpt #: 136 total cpu time spent up to now is 212.5 secs Computing kpt #: 137 total cpu time spent up to now is 213.7 secs Computing kpt #: 138 total cpu time spent up to now is 214.9 secs Computing kpt #: 139 total cpu time spent up to now is 216.0 secs Computing kpt #: 140 total cpu time spent up to now is 217.3 secs Computing kpt #: 141 total cpu time spent up to now is 218.5 secs Computing kpt #: 142 total cpu time spent up to now is 219.7 secs Computing kpt #: 143 total cpu time spent up to now is 220.8 secs Computing kpt #: 144 total cpu time spent up to now is 222.0 secs Computing kpt #: 145 total cpu time spent up to now is 223.2 secs Computing kpt #: 146 total cpu time spent up to now is 224.4 secs Computing kpt #: 147 total cpu time spent up to now is 225.5 secs Computing kpt #: 148 total cpu time spent up to now is 226.6 secs Computing kpt #: 149 total cpu time spent up to now is 227.7 secs Computing kpt #: 150 total cpu time spent up to now is 228.9 secs Computing kpt #: 151 total cpu time spent up to now is 230.0 secs Computing kpt #: 152 total cpu time spent up to now is 231.1 secs Computing kpt #: 153 total cpu time spent up to now is 232.2 secs Computing kpt #: 154 total cpu time spent up to now is 233.3 secs Computing kpt #: 155 total cpu time spent up to now is 234.3 secs Computing kpt #: 156 total cpu time spent up to now is 235.5 secs Computing kpt #: 157 total cpu time spent up to now is 236.7 secs Computing kpt #: 158 total cpu time spent up to now is 237.8 secs Computing kpt #: 159 total cpu time spent up to now is 238.9 secs Computing kpt #: 160 total cpu time spent up to now is 240.0 secs Computing kpt #: 161 total cpu time spent up to now is 241.1 secs Computing kpt #: 162 total cpu time spent up to now is 242.2 secs Computing kpt #: 163 total cpu time spent up to now is 243.3 secs Computing kpt #: 164 total cpu time spent up to now is 244.4 secs Computing kpt #: 165 total cpu time spent up to now is 245.5 secs Computing kpt #: 166 total cpu time spent up to now is 246.4 secs Computing kpt #: 167 total cpu time spent up to now is 247.6 secs Computing kpt #: 168 total cpu time spent up to now is 248.5 secs Computing kpt #: 169 total cpu time spent up to now is 249.5 secs Computing kpt #: 170 total cpu time spent up to now is 250.4 secs Computing kpt #: 171 total cpu time spent up to now is 251.5 secs Computing kpt #: 172 total cpu time spent up to now is 253.0 secs Computing kpt #: 173 total cpu time spent up to now is 254.0 secs Computing kpt #: 174 total cpu time spent up to now is 254.9 secs Computing kpt #: 175 total cpu time spent up to now is 255.9 secs Computing kpt #: 176 total cpu time spent up to now is 257.0 secs Computing kpt #: 177 total cpu time spent up to now is 258.0 secs Computing kpt #: 178 total cpu time spent up to now is 259.0 secs Computing kpt #: 179 total cpu time spent up to now is 260.0 secs Computing kpt #: 180 total cpu time spent up to now is 261.0 secs Computing kpt #: 181 total cpu time spent up to now is 262.0 secs Computing kpt #: 182 total cpu time spent up to now is 263.0 secs Computing kpt #: 183 total cpu time spent up to now is 264.0 secs Computing kpt #: 184 total cpu time spent up to now is 265.1 secs Computing kpt #: 185 total cpu time spent up to now is 266.2 secs Computing kpt #: 186 total cpu time spent up to now is 267.4 secs Computing kpt #: 187 total cpu time spent up to now is 268.4 secs Computing kpt #: 188 total cpu time spent up to now is 269.4 secs Computing kpt #: 189 total cpu time spent up to now is 270.4 secs Computing kpt #: 190 total cpu time spent up to now is 271.4 secs Computing kpt #: 191 total cpu time spent up to now is 272.5 secs Computing kpt #: 192 total cpu time spent up to now is 273.5 secs Computing kpt #: 193 total cpu time spent up to now is 274.6 secs Computing kpt #: 194 total cpu time spent up to now is 275.6 secs Computing kpt #: 195 total cpu time spent up to now is 276.6 secs Computing kpt #: 196 total cpu time spent up to now is 277.6 secs Computing kpt #: 197 total cpu time spent up to now is 278.6 secs Computing kpt #: 198 total cpu time spent up to now is 279.6 secs Computing kpt #: 199 total cpu time spent up to now is 280.6 secs Computing kpt #: 200 total cpu time spent up to now is 281.6 secs Computing kpt #: 201 total cpu time spent up to now is 282.6 secs Computing kpt #: 202 total cpu time spent up to now is 283.7 secs Computing kpt #: 203 total cpu time spent up to now is 284.7 secs Computing kpt #: 204 total cpu time spent up to now is 285.7 secs Computing kpt #: 205 total cpu time spent up to now is 286.7 secs Computing kpt #: 206 total cpu time spent up to now is 287.8 secs Computing kpt #: 207 total cpu time spent up to now is 288.9 secs Computing kpt #: 208 total cpu time spent up to now is 290.0 secs Computing kpt #: 209 total cpu time spent up to now is 291.0 secs Computing kpt #: 210 total cpu time spent up to now is 292.1 secs Computing kpt #: 211 total cpu time spent up to now is 293.1 secs Computing kpt #: 212 total cpu time spent up to now is 294.2 secs Computing kpt #: 213 total cpu time spent up to now is 295.3 secs Computing kpt #: 214 total cpu time spent up to now is 296.5 secs Computing kpt #: 215 total cpu time spent up to now is 297.5 secs Computing kpt #: 216 total cpu time spent up to now is 298.6 secs Computing kpt #: 217 total cpu time spent up to now is 299.7 secs Computing kpt #: 218 total cpu time spent up to now is 300.8 secs Computing kpt #: 219 total cpu time spent up to now is 301.9 secs Computing kpt #: 220 total cpu time spent up to now is 303.0 secs Computing kpt #: 221 total cpu time spent up to now is 304.1 secs Computing kpt #: 222 total cpu time spent up to now is 305.2 secs Computing kpt #: 223 total cpu time spent up to now is 306.3 secs Computing kpt #: 224 total cpu time spent up to now is 307.5 secs Computing kpt #: 225 total cpu time spent up to now is 308.7 secs Computing kpt #: 226 total cpu time spent up to now is 309.8 secs Computing kpt #: 227 total cpu time spent up to now is 310.9 secs Computing kpt #: 228 total cpu time spent up to now is 312.0 secs Computing kpt #: 229 total cpu time spent up to now is 313.4 secs Computing kpt #: 230 total cpu time spent up to now is 314.6 secs Computing kpt #: 231 total cpu time spent up to now is 315.8 secs Computing kpt #: 232 total cpu time spent up to now is 317.0 secs Computing kpt #: 233 total cpu time spent up to now is 318.1 secs Computing kpt #: 234 total cpu time spent up to now is 319.3 secs Computing kpt #: 235 total cpu time spent up to now is 320.5 secs Computing kpt #: 236 total cpu time spent up to now is 321.7 secs Computing kpt #: 237 total cpu time spent up to now is 322.9 secs Computing kpt #: 238 total cpu time spent up to now is 324.0 secs Computing kpt #: 239 total cpu time spent up to now is 325.2 secs Computing kpt #: 240 total cpu time spent up to now is 326.4 secs Computing kpt #: 241 total cpu time spent up to now is 327.5 secs Computing kpt #: 242 total cpu time spent up to now is 328.7 secs Computing kpt #: 243 total cpu time spent up to now is 329.8 secs Computing kpt #: 244 total cpu time spent up to now is 330.9 secs Computing kpt #: 245 total cpu time spent up to now is 332.2 secs Computing kpt #: 246 total cpu time spent up to now is 333.5 secs Computing kpt #: 247 total cpu time spent up to now is 335.0 secs Computing kpt #: 248 total cpu time spent up to now is 336.4 secs Computing kpt #: 249 total cpu time spent up to now is 338.4 secs Computing kpt #: 250 total cpu time spent up to now is 339.6 secs Computing kpt #: 251 total cpu time spent up to now is 340.7 secs Computing kpt #: 252 total cpu time spent up to now is 341.8 secs Computing kpt #: 253 total cpu time spent up to now is 342.9 secs Computing kpt #: 254 total cpu time spent up to now is 344.1 secs Computing kpt #: 255 total cpu time spent up to now is 345.2 secs Computing kpt #: 256 total cpu time spent up to now is 346.5 secs Computing kpt #: 257 total cpu time spent up to now is 347.7 secs Computing kpt #: 258 total cpu time spent up to now is 349.4 secs Computing kpt #: 259 total cpu time spent up to now is 350.5 secs Computing kpt #: 260 total cpu time spent up to now is 351.7 secs Computing kpt #: 261 total cpu time spent up to now is 352.9 secs Computing kpt #: 262 total cpu time spent up to now is 354.0 secs Computing kpt #: 263 total cpu time spent up to now is 355.2 secs Computing kpt #: 264 total cpu time spent up to now is 356.4 secs Computing kpt #: 265 total cpu time spent up to now is 357.6 secs Computing kpt #: 266 total cpu time spent up to now is 358.8 secs Computing kpt #: 267 total cpu time spent up to now is 359.9 secs Computing kpt #: 268 total cpu time spent up to now is 361.2 secs Computing kpt #: 269 total cpu time spent up to now is 362.4 secs Computing kpt #: 270 total cpu time spent up to now is 363.5 secs Computing kpt #: 271 total cpu time spent up to now is 364.7 secs Computing kpt #: 272 total cpu time spent up to now is 365.8 secs Computing kpt #: 273 total cpu time spent up to now is 367.0 secs Computing kpt #: 274 total cpu time spent up to now is 368.2 secs Computing kpt #: 275 total cpu time spent up to now is 369.3 secs Computing kpt #: 276 total cpu time spent up to now is 370.4 secs Computing kpt #: 277 total cpu time spent up to now is 371.5 secs Computing kpt #: 278 total cpu time spent up to now is 372.6 secs Computing kpt #: 279 total cpu time spent up to now is 373.7 secs Computing kpt #: 280 total cpu time spent up to now is 374.8 secs Computing kpt #: 281 total cpu time spent up to now is 375.9 secs Computing kpt #: 282 total cpu time spent up to now is 376.9 secs Computing kpt #: 283 total cpu time spent up to now is 378.0 secs Computing kpt #: 284 total cpu time spent up to now is 379.1 secs Computing kpt #: 285 total cpu time spent up to now is 380.2 secs Computing kpt #: 286 total cpu time spent up to now is 381.3 secs Computing kpt #: 287 total cpu time spent up to now is 382.4 secs Computing kpt #: 288 total cpu time spent up to now is 383.5 secs Computing kpt #: 289 total cpu time spent up to now is 384.6 secs Computing kpt #: 290 total cpu time spent up to now is 385.8 secs Computing kpt #: 291 total cpu time spent up to now is 386.9 secs Computing kpt #: 292 total cpu time spent up to now is 388.0 secs Computing kpt #: 293 total cpu time spent up to now is 389.1 secs Computing kpt #: 294 total cpu time spent up to now is 390.2 secs Computing kpt #: 295 total cpu time spent up to now is 391.3 secs Computing kpt #: 296 total cpu time spent up to now is 392.4 secs Computing kpt #: 297 total cpu time spent up to now is 393.6 secs Computing kpt #: 298 total cpu time spent up to now is 394.8 secs Computing kpt #: 299 total cpu time spent up to now is 395.9 secs Computing kpt #: 300 total cpu time spent up to now is 397.0 secs Computing kpt #: 301 total cpu time spent up to now is 398.1 secs Computing kpt #: 302 total cpu time spent up to now is 399.4 secs Computing kpt #: 303 total cpu time spent up to now is 400.5 secs Computing kpt #: 304 total cpu time spent up to now is 401.6 secs Computing kpt #: 305 total cpu time spent up to now is 402.8 secs Computing kpt #: 306 total cpu time spent up to now is 404.1 secs Computing kpt #: 307 total cpu time spent up to now is 405.3 secs Computing kpt #: 308 total cpu time spent up to now is 406.4 secs Computing kpt #: 309 total cpu time spent up to now is 407.6 secs Computing kpt #: 310 total cpu time spent up to now is 408.9 secs Computing kpt #: 311 total cpu time spent up to now is 410.1 secs Computing kpt #: 312 total cpu time spent up to now is 411.3 secs Computing kpt #: 313 total cpu time spent up to now is 412.4 secs Computing kpt #: 314 total cpu time spent up to now is 413.6 secs Computing kpt #: 315 total cpu time spent up to now is 414.8 secs Computing kpt #: 316 total cpu time spent up to now is 416.0 secs Computing kpt #: 317 total cpu time spent up to now is 417.2 secs Computing kpt #: 318 total cpu time spent up to now is 418.4 secs Computing kpt #: 319 total cpu time spent up to now is 419.5 secs Computing kpt #: 320 total cpu time spent up to now is 420.7 secs Computing kpt #: 321 total cpu time spent up to now is 422.0 secs Computing kpt #: 322 total cpu time spent up to now is 423.2 secs Computing kpt #: 323 total cpu time spent up to now is 424.3 secs Computing kpt #: 324 total cpu time spent up to now is 425.4 secs Computing kpt #: 325 total cpu time spent up to now is 426.6 secs Computing kpt #: 326 total cpu time spent up to now is 427.8 secs Computing kpt #: 327 total cpu time spent up to now is 429.1 secs Computing kpt #: 328 total cpu time spent up to now is 430.2 secs Computing kpt #: 329 total cpu time spent up to now is 431.3 secs Computing kpt #: 330 total cpu time spent up to now is 432.3 secs Computing kpt #: 331 total cpu time spent up to now is 433.4 secs Computing kpt #: 332 total cpu time spent up to now is 434.6 secs Computing kpt #: 333 total cpu time spent up to now is 435.6 secs Computing kpt #: 334 total cpu time spent up to now is 436.7 secs Computing kpt #: 335 total cpu time spent up to now is 437.7 secs Computing kpt #: 336 total cpu time spent up to now is 438.8 secs Computing kpt #: 337 total cpu time spent up to now is 439.8 secs Computing kpt #: 338 total cpu time spent up to now is 440.9 secs Computing kpt #: 339 total cpu time spent up to now is 442.0 secs Computing kpt #: 340 total cpu time spent up to now is 443.0 secs Computing kpt #: 341 total cpu time spent up to now is 444.1 secs Computing kpt #: 342 total cpu time spent up to now is 445.2 secs Computing kpt #: 343 total cpu time spent up to now is 446.3 secs Computing kpt #: 344 total cpu time spent up to now is 447.3 secs Computing kpt #: 345 total cpu time spent up to now is 448.3 secs Computing kpt #: 346 total cpu time spent up to now is 449.4 secs Computing kpt #: 347 total cpu time spent up to now is 450.4 secs Computing kpt #: 348 total cpu time spent up to now is 451.5 secs Computing kpt #: 349 total cpu time spent up to now is 452.6 secs Computing kpt #: 350 total cpu time spent up to now is 453.6 secs Computing kpt #: 351 total cpu time spent up to now is 454.7 secs Computing kpt #: 352 total cpu time spent up to now is 455.7 secs Computing kpt #: 353 total cpu time spent up to now is 456.7 secs Computing kpt #: 354 total cpu time spent up to now is 457.8 secs Computing kpt #: 355 total cpu time spent up to now is 459.0 secs Computing kpt #: 356 total cpu time spent up to now is 460.6 secs Computing kpt #: 357 total cpu time spent up to now is 461.8 secs Computing kpt #: 358 total cpu time spent up to now is 463.0 secs Computing kpt #: 359 total cpu time spent up to now is 464.3 secs Computing kpt #: 360 total cpu time spent up to now is 465.5 secs Computing kpt #: 361 total cpu time spent up to now is 466.6 secs Computing kpt #: 362 total cpu time spent up to now is 467.8 secs Computing kpt #: 363 total cpu time spent up to now is 469.1 secs Computing kpt #: 364 total cpu time spent up to now is 470.4 secs Computing kpt #: 365 total cpu time spent up to now is 471.6 secs Computing kpt #: 366 total cpu time spent up to now is 472.7 secs Computing kpt #: 367 total cpu time spent up to now is 473.8 secs Computing kpt #: 368 total cpu time spent up to now is 475.0 secs Computing kpt #: 369 total cpu time spent up to now is 476.1 secs Computing kpt #: 370 total cpu time spent up to now is 477.3 secs Computing kpt #: 371 total cpu time spent up to now is 478.4 secs Computing kpt #: 372 total cpu time spent up to now is 479.5 secs Computing kpt #: 373 total cpu time spent up to now is 480.7 secs Computing kpt #: 374 total cpu time spent up to now is 481.9 secs Computing kpt #: 375 total cpu time spent up to now is 483.0 secs Computing kpt #: 376 total cpu time spent up to now is 484.1 secs Computing kpt #: 377 total cpu time spent up to now is 485.2 secs Computing kpt #: 378 total cpu time spent up to now is 486.3 secs Computing kpt #: 379 total cpu time spent up to now is 487.7 secs Computing kpt #: 380 total cpu time spent up to now is 489.6 secs ethr = 3.13E-11, avg # of iterations = 34.8 total cpu time spent up to now is 489.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.3766 -18.3766 -14.9848 -14.9848 -14.9789 -14.9789 -14.7550 -14.7550 -7.7765 -7.7765 -4.0744 -4.0744 -4.0680 -4.0680 -3.4446 -3.4446 -0.4040 -0.4040 0.5829 0.5829 1.3371 1.3371 1.6597 1.6597 1.6838 1.6838 1.7757 1.7757 2.6781 2.6781 2.6875 2.6875 10.6450 10.6450 11.6778 11.6778 14.0828 14.0828 14.1103 14.1103 k = 0.0000 0.0000 0.0142 ( 2299 PWs) bands (ev): -18.3761 -18.3761 -14.9855 -14.9853 -14.9794 -14.9794 -14.7552 -14.7550 -7.7753 -7.7753 -4.0750 -4.0746 -4.0681 -4.0680 -3.4438 -3.4432 -0.4047 -0.4044 0.5834 0.5835 1.3369 1.3373 1.6589 1.6591 1.6831 1.6833 1.7747 1.7750 2.6781 2.6783 2.6874 2.6877 10.6476 10.6476 11.6790 11.6795 14.0817 14.0820 14.1092 14.1095 k = 0.0000 0.0000 0.0283 ( 2297 PWs) bands (ev): -18.3745 -18.3745 -14.9877 -14.9874 -14.9807 -14.9806 -14.7556 -14.7553 -7.7718 -7.7718 -4.0776 -4.0766 -4.0671 -4.0667 -3.4407 -3.4395 -0.4066 -0.4059 0.5850 0.5852 1.3368 1.3375 1.6568 1.6572 1.6814 1.6816 1.7719 1.7725 2.6782 2.6785 2.6875 2.6883 10.6554 10.6554 11.6830 11.6841 14.0786 14.0791 14.1063 14.1068 k = 0.0000 0.0000 0.0425 ( 2297 PWs) bands (ev): -18.3718 -18.3718 -14.9921 -14.9916 -14.9820 -14.9819 -14.7564 -14.7559 -7.7660 -7.7660 -4.0831 -4.0817 -4.0638 -4.0632 -3.4354 -3.4336 -0.4097 -0.4087 0.5877 0.5881 1.3365 1.3376 1.6528 1.6537 1.6792 1.6793 1.7674 1.7684 2.6783 2.6788 2.6879 2.6891 10.6684 10.6684 11.6898 11.6914 14.0732 14.0740 14.1018 14.1026 k = 0.0000 0.0000 0.0567 ( 2301 PWs) bands (ev): -18.3681 -18.3681 -14.9988 -14.9982 -14.9833 -14.9831 -14.7573 -14.7568 -7.7579 -7.7578 -4.0912 -4.0894 -4.0586 -4.0577 -3.4280 -3.4257 -0.4139 -0.4126 0.5915 0.5920 1.3359 1.3373 1.6465 1.6480 1.6768 1.6772 1.7612 1.7628 2.6782 2.6789 2.6890 2.6905 10.6865 10.6866 11.6994 11.7015 14.0652 14.0662 14.0962 14.0974 k = 0.0000 0.0000 0.0709 ( 2293 PWs) bands (ev): -18.3633 -18.3633 -15.0076 -15.0069 -14.9846 -14.9844 -14.7586 -14.7579 -7.7475 -7.7474 -4.1014 -4.0993 -4.0516 -4.0506 -3.4186 -3.4158 -0.4193 -0.4176 0.5965 0.5971 1.3345 1.3364 1.6376 1.6402 1.6745 1.6757 1.7534 1.7560 2.6777 2.6787 2.6906 2.6926 10.7097 10.7098 11.7118 11.7144 14.0543 14.0554 14.0901 14.0917 k = 0.0000 0.0000 0.0850 ( 2289 PWs) bands (ev): -18.3575 -18.3575 -15.0183 -15.0176 -14.9861 -14.9858 -14.7601 -14.7594 -7.7348 -7.7347 -4.1136 -4.1111 -4.0431 -4.0419 -3.4074 -3.4041 -0.4258 -0.4238 0.6026 0.6032 1.3320 1.3343 1.6265 1.6303 1.6723 1.6749 1.7444 1.7485 2.6770 2.6783 2.6930 2.6952 10.7378 10.7379 11.7267 11.7299 14.0403 14.0415 14.0837 14.0858 k = 0.0000 0.0000 0.0992 ( 2289 PWs) bands (ev): -18.3506 -18.3506 -15.0310 -15.0302 -14.9877 -14.9874 -14.7619 -14.7611 -7.7199 -7.7198 -4.1276 -4.1249 -4.0330 -4.0316 -3.3945 -3.3908 -0.4335 -0.4311 0.6097 0.6105 1.3277 1.3306 1.6133 1.6187 1.6696 1.6745 1.7346 1.7408 2.6761 2.6776 2.6959 2.6985 10.7707 10.7708 11.7442 11.7479 14.0235 14.0248 14.0772 14.0797 k = 0.0000 0.0000 0.1134 ( 2297 PWs) bands (ev): -18.3427 -18.3426 -15.0455 -15.0446 -14.9896 -14.9892 -14.7641 -14.7631 -7.7028 -7.7027 -4.1432 -4.1403 -4.0213 -4.0197 -3.3801 -3.3761 -0.4422 -0.4395 0.6180 0.6189 1.3212 1.3246 1.5985 1.6057 1.6660 1.6742 1.7248 1.7341 2.6749 2.6767 2.6995 2.7024 10.8083 10.8083 11.7641 11.7684 14.0040 14.0054 14.0706 14.0736 k = 0.0000 0.0000 0.1276 ( 2305 PWs) bands (ev): -18.3337 -18.3337 -15.0618 -15.0608 -14.9916 -14.9912 -14.7665 -14.7655 -7.6835 -7.6834 -4.1603 -4.1572 -4.0082 -4.0064 -3.3644 -3.3600 -0.4520 -0.4490 0.6274 0.6284 1.3117 1.3157 1.5823 1.5915 1.6604 1.6729 1.7167 1.7294 2.6737 2.6758 2.7035 2.7067 10.8503 10.8504 11.7863 11.7911 13.9820 13.9835 14.0640 14.0676 k = 0.0000 0.0000 0.1417 ( 2301 PWs) bands (ev): -18.3237 -18.3237 -15.0798 -15.0788 -14.9938 -14.9934 -14.7692 -14.7681 -7.6621 -7.6620 -4.1788 -4.1755 -3.9936 -3.9916 -3.3476 -3.3428 -0.4628 -0.4595 0.6378 0.6390 1.2988 1.3033 1.5648 1.5761 1.6526 1.6688 1.7127 1.7282 2.6724 2.6748 2.7081 2.7115 10.8967 10.8968 11.8106 11.8161 13.9578 13.9594 14.0576 14.0617 k = 0.0000 0.0000 0.1559 ( 2303 PWs) bands (ev): -18.3127 -18.3127 -15.0994 -15.0984 -14.9962 -14.9957 -14.7722 -14.7711 -7.6387 -7.6386 -4.1985 -4.1951 -3.9775 -3.9753 -3.3296 -3.3246 -0.4746 -0.4709 0.6493 0.6506 1.2820 1.2870 1.5461 1.5593 1.6427 1.6612 1.7142 1.7307 2.6711 2.6737 2.7130 2.7168 10.9471 10.9473 11.8370 11.8430 13.9317 13.9333 14.0516 14.0562 k = 0.0000 0.0000 0.1701 ( 2307 PWs) bands (ev): -18.3007 -18.3006 -15.1207 -15.1197 -14.9988 -14.9983 -14.7755 -14.7744 -7.6132 -7.6131 -4.2194 -4.2159 -3.9600 -3.9576 -3.3108 -3.3054 -0.4873 -0.4833 0.6618 0.6632 1.2613 1.2665 1.5260 1.5406 1.6317 1.6510 1.7207 1.7368 2.6697 2.6726 2.7183 2.7224 11.0015 11.0017 11.8652 11.8718 13.9038 13.9055 14.0460 14.0512 k = 0.0000 0.0000 0.1843 ( 2305 PWs) bands (ev): -18.2877 -18.2876 -15.1434 -15.1424 -15.0016 -15.0010 -14.7790 -14.7779 -7.5857 -7.5856 -4.2413 -4.2377 -3.9411 -3.9386 -3.2912 -3.2855 -0.5008 -0.4966 0.6753 0.6769 1.2366 1.2419 1.5042 1.5198 1.6204 1.6400 1.7310 1.7464 2.6684 2.6715 2.7240 2.7284 11.0595 11.0597 11.8950 11.9023 13.8743 13.8761 14.0412 14.0470 k = 0.0000 0.0000 0.1984 ( 2305 PWs) bands (ev): -18.2737 -18.2736 -15.1677 -15.1667 -15.0045 -15.0039 -14.7829 -14.7817 -7.5564 -7.5562 -4.2642 -4.2605 -3.9210 -3.9182 -3.2709 -3.2650 -0.5152 -0.5106 0.6897 0.6914 1.2082 1.2134 1.4806 1.4965 1.6094 1.6288 1.7444 1.7589 2.6670 2.6705 2.7300 2.7347 11.1210 11.1213 11.9263 11.9342 13.8435 13.8453 14.0373 14.0437 k = 0.0000 0.0000 0.2126 ( 2303 PWs) bands (ev): -18.2587 -18.2587 -15.1934 -15.1924 -15.0076 -15.0069 -14.7870 -14.7858 -7.5251 -7.5250 -4.2879 -4.2842 -3.8995 -3.8965 -3.2500 -3.2439 -0.5302 -0.5254 0.7049 0.7067 1.1763 1.1812 1.4551 1.4708 1.5990 1.6178 1.7605 1.7742 2.6657 2.6694 2.7362 2.7412 11.1857 11.1860 11.9589 11.9674 13.8116 13.8134 14.0344 14.0416 k = 0.0000 0.0000 0.2268 ( 2299 PWs) bands (ev): -18.2428 -18.2428 -15.2204 -15.2194 -15.0107 -15.0101 -14.7913 -14.7901 -7.4921 -7.4920 -4.3125 -4.3088 -3.8767 -3.8736 -3.2287 -3.2224 -0.5459 -0.5407 0.7209 0.7228 1.1414 1.1459 1.4276 1.4428 1.5893 1.6073 1.7790 1.7920 2.6644 2.6684 2.7427 2.7480 11.2533 11.2536 11.9925 12.0017 13.7787 13.7806 14.0330 14.0408 k = 0.0000 0.0000 0.2409 ( 2303 PWs) bands (ev): -18.2260 -18.2259 -15.2487 -15.2477 -15.0141 -15.0133 -14.7959 -14.7947 -7.4574 -7.4572 -4.3380 -4.3342 -3.8528 -3.8495 -3.2071 -3.2005 -0.5621 -0.5566 0.7374 0.7395 1.1038 1.1077 1.3983 1.4128 1.5802 1.5973 1.7996 1.8120 2.6631 2.6673 2.7494 2.7549 11.3235 11.3240 12.0270 12.0368 13.7452 13.7470 14.0330 14.0415 k = 0.0000 0.0000 0.2551 ( 2311 PWs) bands (ev): -18.2082 -18.2082 -15.2782 -15.2773 -15.0175 -15.0167 -14.8006 -14.7995 -7.4210 -7.4208 -4.3641 -4.3603 -3.8278 -3.8242 -3.1852 -3.1785 -0.5787 -0.5729 0.7545 0.7567 1.0640 1.0672 1.3673 1.3808 1.5715 1.5877 1.8221 1.8340 2.6617 2.6662 2.7562 2.7620 11.3962 11.3967 12.0622 12.0727 13.7112 13.7130 14.0347 14.0439 k = 0.0000 0.0000 0.2693 ( 2307 PWs) bands (ev): -18.1896 -18.1895 -15.3089 -15.3080 -15.0210 -15.0202 -14.8056 -14.8044 -7.3830 -7.3828 -4.3910 -4.3872 -3.8016 -3.7979 -3.1631 -3.1562 -0.5956 -0.5896 0.7718 0.7742 1.0222 1.0247 1.3347 1.3474 1.5632 1.5786 1.8462 1.8578 2.6603 2.6650 2.7631 2.7692 11.4709 11.4715 12.0979 12.1090 13.6768 13.6787 14.0382 14.0481 k = 0.0000 0.0000 0.2835 ( 2307 PWs) bands (ev): -18.1701 -18.1700 -15.3406 -15.3398 -15.0246 -15.0238 -14.8108 -14.8096 -7.3434 -7.3433 -4.4186 -4.4148 -3.7745 -3.7706 -3.1410 -3.1339 -0.6126 -0.6063 0.7893 0.7918 0.9789 0.9806 1.3007 1.3126 1.5554 1.5699 1.8718 1.8831 2.6588 2.6638 2.7701 2.7764 11.5474 11.5481 12.1339 12.1457 13.6425 13.6442 14.0437 14.0543 k = 0.0000 0.0000 0.2976 ( 2303 PWs) bands (ev): -18.1497 -18.1496 -15.3734 -15.3725 -15.0282 -15.0274 -14.8161 -14.8149 -7.3024 -7.3023 -4.4468 -4.4431 -3.7464 -3.7423 -3.1190 -3.1117 -0.6297 -0.6232 0.8065 0.8093 0.9344 0.9354 1.2655 1.2767 1.5480 1.5617 1.8987 1.9097 2.6573 2.6625 2.7772 2.7837 11.6254 11.6262 12.1701 12.1825 13.6082 13.6099 14.0511 14.0625 k = 0.0000 0.0000 0.3118 ( 2307 PWs) bands (ev): -18.1285 -18.1285 -15.4070 -15.4062 -15.0319 -15.0310 -14.8215 -14.8203 -7.2600 -7.2599 -4.4757 -4.4721 -3.7175 -3.7132 -3.0971 -3.0896 -0.6468 -0.6399 0.8227 0.8260 0.8890 0.8901 1.2294 1.2399 1.5412 1.5542 1.9266 1.9375 2.6556 2.6610 2.7842 2.7910 11.7044 11.7055 12.2063 12.2194 13.5742 13.5759 14.0606 14.0727 k = 0.0000 0.0000 0.3260 ( 2311 PWs) bands (ev): -18.1066 -18.1065 -15.4416 -15.4408 -15.0356 -15.0347 -14.8271 -14.8259 -7.2163 -7.2162 -4.5053 -4.5017 -3.6878 -3.6833 -3.0754 -3.0678 -0.6636 -0.6565 0.8295 0.8332 0.8511 0.8534 1.1924 1.2025 1.5351 1.5474 1.9554 1.9662 2.6537 2.6594 2.7911 2.7982 11.7843 11.7855 12.2426 12.2562 13.5406 13.5423 14.0721 14.0849 k = 0.0000 0.0000 0.3402 ( 2307 PWs) bands (ev): -18.0839 -18.0838 -15.4769 -15.4761 -15.0394 -15.0385 -14.8327 -14.8315 -7.1714 -7.1712 -4.5355 -4.5319 -3.6573 -3.6526 -3.0540 -3.0463 -0.6800 -0.6726 0.7914 0.7920 0.8590 0.8612 1.1550 1.1647 1.5299 1.5416 1.9849 1.9957 2.6517 2.6576 2.7980 2.8053 11.8644 11.8658 12.2788 12.2929 13.5077 13.5093 14.0855 14.0990 k = 0.0000 0.0000 0.3543 ( 2307 PWs) bands (ev): -18.0604 -18.0604 -15.5129 -15.5122 -15.0431 -15.0422 -14.8385 -14.8373 -7.1252 -7.1250 -4.5663 -4.5628 -3.6263 -3.6214 -3.0331 -3.0252 -0.6959 -0.6883 0.7437 0.7455 0.8721 0.8749 1.1173 1.1270 1.5259 1.5370 2.0149 2.0258 2.6495 2.6557 2.8048 2.8122 11.9445 11.9461 12.3149 12.3296 13.4757 13.4772 14.1006 14.1148 k = 0.0000 0.0000 0.3685 ( 2301 PWs) bands (ev): -18.0363 -18.0362 -15.5495 -15.5488 -15.0468 -15.0459 -14.8442 -14.8430 -7.0780 -7.0778 -4.5978 -4.5944 -3.5947 -3.5896 -3.0127 -3.0047 -0.7111 -0.7033 0.6954 0.6983 0.8837 0.8870 1.0800 1.0898 1.5232 1.5338 2.0454 2.0563 2.6471 2.6535 2.8113 2.8190 12.0239 12.0259 12.3512 12.3663 13.4446 13.4461 14.1172 14.1321 k = 0.0000 0.0000 0.3827 ( 2301 PWs) bands (ev): -18.0115 -18.0115 -15.5866 -15.5860 -15.0505 -15.0496 -14.8500 -14.8488 -7.0297 -7.0295 -4.6299 -4.6266 -3.5627 -3.5574 -2.9930 -2.9849 -0.7256 -0.7175 0.6471 0.6509 0.8923 0.8963 1.0437 1.0539 1.5223 1.5323 2.0760 2.0871 2.6445 2.6511 2.8177 2.8255 12.1022 12.1045 12.3878 12.4032 13.4146 13.4161 14.1352 14.1507 k = 0.0000 0.0000 0.3969 ( 2303 PWs) bands (ev): -17.9862 -17.9861 -15.6242 -15.6236 -15.0542 -15.0532 -14.8558 -14.8546 -6.9804 -6.9802 -4.6627 -4.6594 -3.5303 -3.5248 -2.9740 -2.9657 -0.7391 -0.7307 0.5987 0.6035 0.8963 0.9011 1.0100 1.0208 1.5233 1.5328 2.1067 2.1179 2.6416 2.6485 2.8237 2.8317 12.1785 12.1812 12.4251 12.4407 13.3860 13.3875 14.1540 14.1700 k = 0.0000 0.0000 0.4110 ( 2311 PWs) bands (ev): -17.9603 -17.9602 -15.6621 -15.6616 -15.0578 -15.0569 -14.8616 -14.8604 -6.9302 -6.9301 -4.6962 -4.6929 -3.4977 -3.4920 -2.9558 -2.9474 -0.7514 -0.7429 0.5506 0.5563 0.8926 0.8982 0.9822 0.9931 1.5266 1.5355 2.1373 2.1487 2.6385 2.6457 2.8295 2.8376 12.2520 12.2550 12.4636 12.4792 13.3587 13.3602 14.1733 14.1898 k = 0.0000 0.0000 0.4252 ( 2319 PWs) bands (ev): -17.9339 -17.9338 -15.7004 -15.6998 -15.0614 -15.0604 -14.8673 -14.8662 -6.8793 -6.8791 -4.7303 -4.7271 -3.4650 -3.4591 -2.9386 -2.9301 -0.7626 -0.7538 0.5027 0.5093 0.8782 0.8838 0.9643 0.9737 1.5322 1.5405 2.1676 2.1793 2.6352 2.6427 2.8349 2.8431 12.3214 12.3249 12.5044 12.5196 13.3330 13.3346 14.1926 14.2096 k = 0.0000 0.0000 0.4394 ( 2315 PWs) bands (ev): -17.9071 -17.9070 -15.7387 -15.7382 -15.0648 -15.0639 -14.8730 -14.8719 -6.8275 -6.8274 -4.7651 -4.7620 -3.4322 -3.4262 -2.9223 -2.9137 -0.7723 -0.7633 0.4551 0.4626 0.8536 0.8593 0.9551 0.9622 1.5403 1.5481 2.1975 2.2095 2.6318 2.6396 2.8399 2.8483 12.3853 12.3895 12.5485 12.5627 13.3091 13.3107 14.2114 14.2288 k = 0.0000 0.0000 0.4535 ( 2307 PWs) bands (ev): -17.8799 -17.8798 -15.7771 -15.7766 -15.0682 -15.0672 -14.8786 -14.8775 -6.7751 -6.7749 -4.8005 -4.7976 -3.3995 -3.3933 -2.9071 -2.8985 -0.7805 -0.7713 0.4078 0.4162 0.8234 0.8299 0.9492 0.9543 1.5509 1.5582 2.2267 2.2390 2.6283 2.6364 2.8445 2.8530 12.4424 12.4477 12.5969 12.6094 13.2869 13.2886 14.2293 14.2470 k = 0.0000 0.0000 0.4677 ( 2305 PWs) bands (ev): -17.8524 -17.8523 -15.8155 -15.8150 -15.0715 -15.0705 -14.8841 -14.8830 -6.7221 -6.7219 -4.8367 -4.8339 -3.3670 -3.3606 -2.8931 -2.8844 -0.7870 -0.7776 0.3607 0.3700 0.7915 0.7989 0.9431 0.9469 1.5640 1.5708 2.2551 2.2677 2.6248 2.6333 2.8486 2.8572 12.4924 12.4990 12.6494 12.6599 13.2667 13.2685 14.2454 14.2634 k = 0.0000 0.0000 0.4819 ( 2301 PWs) bands (ev): -17.8247 -17.8247 -15.8537 -15.8532 -15.0746 -15.0737 -14.8894 -14.8883 -6.6685 -6.6684 -4.8736 -4.8709 -3.3348 -3.3282 -2.8804 -2.8716 -0.7917 -0.7821 0.3140 0.3241 0.7599 0.7681 0.9355 0.9385 1.5793 1.5856 2.2822 2.2952 2.6215 2.6303 2.8522 2.8609 12.5363 12.5443 12.7047 12.7130 13.2486 13.2505 14.2594 14.2775 k = 0.0000 0.0000 0.4961 ( 2294 PWs) bands (ev): -17.7969 -17.7969 -15.8916 -15.8912 -15.0777 -15.0767 -14.8946 -14.8935 -6.6145 -6.6143 -4.9113 -4.9087 -3.3030 -3.2962 -2.8689 -2.8601 -0.7945 -0.7847 0.2675 0.2783 0.7296 0.7384 0.9261 0.9284 1.5967 1.6025 2.3080 2.3213 2.6187 2.6278 2.8552 2.8639 12.5756 12.5848 12.7607 12.7673 13.2326 13.2347 14.2706 14.2888 k = 0.0000 0.0000 0.5102 ( 2298 PWs) bands (ev): -17.7692 -17.7691 -15.9291 -15.9287 -15.0806 -15.0797 -14.8996 -14.8986 -6.5601 -6.5599 -4.9497 -4.9472 -3.2717 -3.2648 -2.8588 -2.8499 -0.7953 -0.7853 0.2211 0.2326 0.7010 0.7104 0.9147 0.9166 1.6158 1.6212 2.3319 2.3454 2.6166 2.6260 2.8576 2.8664 12.6118 12.6217 12.8157 12.8210 13.2189 13.2212 14.2784 14.2966 k = 0.0000 0.0000 0.5244 ( 2302 PWs) bands (ev): -17.7415 -17.7414 -15.9660 -15.9656 -15.0833 -15.0824 -14.9045 -14.9035 -6.5054 -6.5052 -4.9889 -4.9865 -3.2410 -3.2340 -2.8501 -2.8412 -0.7939 -0.7837 0.1749 0.1870 0.6746 0.6845 0.9014 0.9032 1.6364 1.6414 2.3535 2.3673 2.6156 2.6253 2.8594 2.8681 12.6458 12.6562 12.8684 12.8727 13.2075 13.2101 14.2823 14.3004 k = 0.0000 0.0000 0.5386 ( 2302 PWs) bands (ev): -17.7140 -17.7139 -16.0022 -16.0019 -15.0859 -15.0851 -14.9091 -14.9081 -6.4505 -6.4503 -5.0289 -5.0266 -3.2110 -3.2039 -2.8428 -2.8339 -0.7903 -0.7799 0.1288 0.1414 0.6507 0.6609 0.8865 0.8882 1.6581 1.6627 2.3725 2.3862 2.6163 2.6260 2.8604 2.8692 12.6783 12.6889 12.9181 12.9216 13.1986 13.2014 14.2821 14.3000 k = 0.0000 0.0000 0.5528 ( 2302 PWs) bands (ev): -17.6870 -17.6869 -16.0375 -16.0372 -15.0884 -15.0876 -14.9135 -14.9126 -6.3954 -6.3951 -5.0696 -5.0674 -3.1819 -3.1746 -2.8370 -2.8281 -0.7844 -0.7738 0.0828 0.0958 0.6296 0.6400 0.8701 0.8720 1.6806 1.6849 2.3883 2.4018 2.6192 2.6286 2.8608 2.8695 12.7093 12.7199 12.9640 12.9670 13.1922 13.1953 14.2773 14.2950 k = 0.0000 0.0000 0.5669 ( 2302 PWs) bands (ev): -17.6605 -17.6604 -16.0718 -16.0715 -15.0907 -15.0899 -14.9176 -14.9168 -6.3402 -6.3399 -5.1112 -5.1091 -3.1536 -3.1461 -2.8327 -2.8237 -0.7761 -0.7654 0.0369 0.0502 0.6113 0.6218 0.8526 0.8547 1.7035 1.7075 2.4006 2.4135 2.6246 2.6335 2.8604 2.8691 12.7391 12.7494 13.0059 13.0085 13.1884 13.1918 14.2680 14.2852 k = 0.0000 0.0000 0.5811 ( 2306 PWs) bands (ev): -17.6347 -17.6346 -16.1047 -16.1045 -15.0928 -15.0921 -14.9215 -14.9207 -6.2850 -6.2847 -5.1535 -5.1515 -3.1263 -3.1187 -2.8298 -2.8209 -0.7654 -0.7545 -0.0088 0.0047 0.5960 0.6064 0.8341 0.8366 1.7265 1.7302 2.4093 2.4211 2.6327 2.6409 2.8592 2.8678 12.7675 12.7774 13.0435 13.0460 13.1872 13.1909 14.2542 14.2709 k = 0.0000 0.0000 0.5953 ( 2310 PWs) bands (ev): -17.6099 -17.6098 -16.1362 -16.1359 -15.0947 -15.0941 -14.9251 -14.9243 -6.2299 -6.2296 -5.1965 -5.1947 -3.1000 -3.0924 -2.8284 -2.8195 -0.7524 -0.7413 -0.0543 -0.0407 0.5836 0.5939 0.8151 0.8178 1.7493 1.7527 2.4144 2.4250 2.6433 2.6506 2.8571 2.8657 12.7944 12.8037 13.0769 13.0793 13.1886 13.1925 14.2363 14.2523 k = 0.0000 0.0000 0.6095 ( 2318 PWs) bands (ev): -17.5862 -17.5861 -16.1659 -16.1657 -15.0965 -15.0959 -14.9284 -14.9277 -6.1750 -6.1747 -5.2404 -5.2386 -3.0749 -3.0672 -2.8285 -2.8196 -0.7369 -0.7257 -0.0995 -0.0858 0.5742 0.5843 0.7957 0.7987 1.7716 1.7747 2.4164 2.4257 2.6559 2.6624 2.8542 2.8627 12.8195 12.8282 13.1061 13.1086 13.1922 13.1963 14.2149 14.2301 k = 0.0000 0.0000 0.6236 ( 2318 PWs) bands (ev): -17.5639 -17.5638 -16.1936 -16.1934 -15.0981 -15.0975 -14.9314 -14.9308 -6.1204 -6.1200 -5.2849 -5.2832 -3.0509 -3.0431 -2.8299 -2.8211 -0.7191 -0.7078 -0.1442 -0.1306 0.5677 0.5775 0.7762 0.7795 1.7930 1.7958 2.4159 2.4239 2.6700 2.6758 2.8504 2.8587 12.8426 12.8505 13.1314 13.1340 13.1980 13.2021 14.1910 14.2052 k = 0.0000 0.0000 0.6378 ( 2320 PWs) bands (ev): -17.5433 -17.5432 -16.2191 -16.2189 -15.0995 -15.0990 -14.9340 -14.9335 -6.0662 -6.0657 -5.3300 -5.3285 -3.0282 -3.0204 -2.8327 -2.8240 -0.6990 -0.6875 -0.1882 -0.1747 0.5639 0.5733 0.7568 0.7604 1.8131 1.8157 2.4135 2.4202 2.6850 2.6904 2.8456 2.8539 12.8635 12.8705 13.1533 13.1559 13.2054 13.2093 14.1654 14.1785 k = 0.0000 0.0000 0.6520 ( 2320 PWs) bands (ev): -17.5247 -17.5246 -16.2419 -16.2418 -15.1007 -15.1003 -14.9364 -14.9359 -6.0125 -6.0120 -5.3757 -5.3743 -3.0068 -2.9990 -2.8368 -2.8283 -0.6767 -0.6652 -0.2314 -0.2181 0.5626 0.5715 0.7379 0.7418 1.8317 1.8340 2.4099 2.4155 2.7002 2.7055 2.8400 2.8481 12.8819 12.8880 13.1720 13.1744 13.2140 13.2176 14.1395 14.1513 k = 0.0000 0.0000 0.6661 ( 2324 PWs) bands (ev): -17.5082 -17.5082 -16.2619 -16.2618 -15.1017 -15.1014 -14.9383 -14.9379 -5.9597 -5.9591 -5.4217 -5.4204 -2.9868 -2.9790 -2.8422 -2.8338 -0.6524 -0.6409 -0.2734 -0.2604 0.5637 0.5719 0.7199 0.7239 1.8484 1.8503 2.4058 2.4102 2.7155 2.7208 2.8334 2.8413 12.8977 12.9028 13.1875 13.1895 13.2233 13.2264 14.1146 14.1249 k = 0.0000 0.0000 0.6803 ( 2328 PWs) bands (ev): -17.4943 -17.4943 -16.2788 -16.2787 -15.1025 -15.1023 -14.9400 -14.9396 -5.9080 -5.9074 -5.4678 -5.4665 -2.9683 -2.9607 -2.8485 -2.8404 -0.6264 -0.6151 -0.3139 -0.3012 0.5667 0.5741 0.7031 0.7072 1.8627 1.8643 2.4015 2.4050 2.7304 2.7359 2.8259 2.8336 12.9108 12.9148 13.1998 13.2012 13.2328 13.2355 14.0920 14.1006 k = 0.0000 0.0000 0.6945 ( 2328 PWs) bands (ev): -17.4832 -17.4832 -16.2922 -16.2921 -15.1032 -15.1030 -14.9412 -14.9410 -5.8583 -5.8577 -5.5130 -5.5119 -2.9516 -2.9444 -2.8555 -2.8480 -0.5994 -0.5884 -0.3519 -0.3400 0.5711 0.5775 0.6883 0.6921 1.8744 1.8756 2.3978 2.4004 2.7448 2.7505 2.8175 2.8249 12.9211 12.9241 13.2086 13.2097 13.2419 13.2442 14.0730 14.0797 k = 0.0000 0.0000 0.7087 ( 2328 PWs) bands (ev): -17.4751 -17.4750 -16.3020 -16.3019 -15.1036 -15.1035 -14.9421 -14.9419 -5.8122 -5.8116 -5.5559 -5.5549 -2.9370 -2.9308 -2.8625 -2.8560 -0.5724 -0.5626 -0.3858 -0.3753 0.5762 0.5811 0.6764 0.6795 1.8830 1.8839 2.3949 2.3966 2.7584 2.7643 2.8084 2.8154 12.9286 12.9306 13.2145 13.2153 13.2496 13.2514 14.0587 14.0633 k = 0.0000 0.0000 0.7228 ( 2324 PWs) bands (ev): -17.4701 -17.4701 -16.3079 -16.3079 -15.1039 -15.1038 -14.9426 -14.9426 -5.7745 -5.7741 -5.5914 -5.5908 -2.9256 -2.9216 -2.8676 -2.8635 -0.5486 -0.5419 -0.4114 -0.4043 0.5809 0.5836 0.6687 0.6705 1.8884 1.8888 2.3932 2.3940 2.7709 2.7763 2.7993 2.8053 12.9333 12.9344 13.2179 13.2183 13.2550 13.2560 14.0503 14.0526 k = 0.0000 0.0000 0.7370 ( 2320 PWs) bands (ev): -17.4684 -17.4684 -16.3099 -16.3099 -15.1039 -15.1039 -14.9428 -14.9428 -5.7579 -5.7579 -5.6068 -5.6068 -2.9197 -2.9197 -2.8682 -2.8682 -0.5355 -0.5355 -0.4192 -0.4192 0.5837 0.5837 0.6666 0.6666 1.8904 1.8904 2.3929 2.3929 2.7801 2.7801 2.7967 2.7967 12.9353 12.9353 13.2192 13.2192 13.2572 13.2572 14.0482 14.0482 k = 0.0000 0.0000 0.7370 ( 2320 PWs) bands (ev): -17.4684 -17.4684 -16.3099 -16.3099 -15.1039 -15.1039 -14.9428 -14.9428 -5.7579 -5.7579 -5.6068 -5.6068 -2.9197 -2.9197 -2.8682 -2.8682 -0.5355 -0.5355 -0.4192 -0.4192 0.5837 0.5837 0.6666 0.6666 1.8904 1.8904 2.3929 2.3929 2.7801 2.7801 2.7967 2.7967 12.9353 12.9353 13.2192 13.2192 13.2572 13.2572 14.0482 14.0482 k =-0.0097 0.0105 0.7370 ( 2320 PWs) bands (ev): -17.4685 -17.4684 -16.3099 -16.3097 -15.1040 -15.1039 -14.9431 -14.9428 -5.7573 -5.7573 -5.6064 -5.6059 -2.9205 -2.9199 -2.8686 -2.8682 -0.5363 -0.5352 -0.4199 -0.4189 0.5832 0.5840 0.6666 0.6671 1.8903 1.8906 2.3932 2.3936 2.7740 2.7785 2.7966 2.8014 12.9347 12.9356 13.2185 13.2191 13.2556 13.2568 14.0480 14.0488 k =-0.0194 0.0210 0.7370 ( 2320 PWs) bands (ev): -17.4686 -17.4685 -16.3097 -16.3093 -15.1040 -15.1040 -14.9437 -14.9431 -5.7555 -5.7554 -5.6046 -5.6037 -2.9224 -2.9211 -2.8695 -2.8687 -0.5376 -0.5355 -0.4209 -0.4191 0.5825 0.5842 0.6670 0.6681 1.8905 1.8909 2.3945 2.3952 2.7646 2.7701 2.8003 2.8065 12.9338 12.9358 13.2171 13.2183 13.2521 13.2543 14.0484 14.0500 k =-0.0291 0.0315 0.7370 ( 2320 PWs) bands (ev): -17.4687 -17.4687 -16.3094 -16.3087 -15.1041 -15.1040 -14.9447 -14.9438 -5.7526 -5.7523 -5.6014 -5.6002 -2.9253 -2.9234 -2.8708 -2.8696 -0.5394 -0.5363 -0.4224 -0.4196 0.5817 0.5842 0.6678 0.6694 1.8907 1.8914 2.3967 2.3977 2.7531 2.7588 2.8039 2.8106 12.9326 12.9356 13.2147 13.2162 13.2472 13.2504 14.0491 14.0515 k =-0.0388 0.0420 0.7370 ( 2312 PWs) bands (ev): -17.4689 -17.4689 -16.3089 -16.3080 -15.1042 -15.1041 -14.9460 -14.9447 -5.7484 -5.7481 -5.5970 -5.5953 -2.9292 -2.9268 -2.8726 -2.8710 -0.5416 -0.5375 -0.4242 -0.4205 0.5809 0.5841 0.6691 0.6712 1.8910 1.8920 2.3998 2.4012 2.7398 2.7454 2.8066 2.8136 12.9309 12.9348 13.2106 13.2123 13.2420 13.2460 14.0501 14.0532 k =-0.0484 0.0525 0.7370 ( 2308 PWs) bands (ev): -17.4692 -17.4692 -16.3082 -16.3071 -15.1043 -15.1043 -14.9476 -14.9460 -5.7430 -5.7426 -5.5912 -5.5891 -2.9339 -2.9311 -2.8748 -2.8730 -0.5442 -0.5392 -0.4263 -0.4218 0.5800 0.5839 0.6707 0.6732 1.8914 1.8926 2.4039 2.4055 2.7248 2.7303 2.8081 2.8153 12.9285 12.9333 13.2034 13.2057 13.2379 13.2427 14.0511 14.0548 k =-0.0581 0.0630 0.7370 ( 2304 PWs) bands (ev): -17.4696 -17.4695 -16.3073 -16.3060 -15.1045 -15.1044 -14.9494 -14.9476 -5.7365 -5.7361 -5.5842 -5.5817 -2.9395 -2.9363 -2.8775 -2.8755 -0.5472 -0.5412 -0.4286 -0.4232 0.5790 0.5836 0.6726 0.6755 1.8917 1.8931 2.4088 2.4107 2.7081 2.7134 2.8086 2.8159 12.9251 12.9308 13.1925 13.1961 13.2359 13.2417 14.0519 14.0561 k =-0.0678 0.0735 0.7370 ( 2306 PWs) bands (ev): -17.4700 -17.4700 -16.3063 -16.3048 -15.1047 -15.1045 -14.9516 -14.9495 -5.7289 -5.7284 -5.5760 -5.5731 -2.9459 -2.9423 -2.8808 -2.8785 -0.5506 -0.5437 -0.4311 -0.4249 0.5780 0.5832 0.6746 0.6779 1.8920 1.8936 2.4146 2.4167 2.6898 2.6949 2.8079 2.8155 12.9205 12.9269 13.1785 13.1834 13.2363 13.2430 14.0521 14.0569 k =-0.0775 0.0839 0.7370 ( 2306 PWs) bands (ev): -17.4705 -17.4704 -16.3051 -16.3034 -15.1048 -15.1047 -14.9541 -14.9517 -5.7203 -5.7197 -5.5666 -5.5633 -2.9529 -2.9491 -2.8845 -2.8822 -0.5541 -0.5464 -0.4336 -0.4267 0.5771 0.5828 0.6768 0.6805 1.8920 1.8938 2.4211 2.4234 2.6699 2.6747 2.8062 2.8140 12.9145 12.9215 13.1622 13.1681 13.2391 13.2466 14.0517 14.0569 k =-0.0872 0.0944 0.7370 ( 2306 PWs) bands (ev): -17.4710 -17.4710 -16.3037 -16.3018 -15.1050 -15.1049 -14.9568 -14.9541 -5.7106 -5.7100 -5.5561 -5.5523 -2.9606 -2.9566 -2.8887 -2.8863 -0.5578 -0.5493 -0.4362 -0.4286 0.5761 0.5823 0.6791 0.6831 1.8918 1.8938 2.4284 2.4307 2.6484 2.6528 2.8037 2.8116 12.9069 12.9144 13.1441 13.1508 13.2440 13.2523 14.0504 14.0559 k =-0.0969 0.1049 0.7370 ( 2306 PWs) bands (ev): -17.4717 -17.4716 -16.3022 -16.3001 -15.1052 -15.1050 -14.9598 -14.9568 -5.7000 -5.6993 -5.5445 -5.5403 -2.9689 -2.9646 -2.8935 -2.8910 -0.5617 -0.5524 -0.4387 -0.4304 0.5753 0.5819 0.6814 0.6857 1.8911 1.8933 2.4363 2.4386 2.6255 2.6294 2.8003 2.8085 12.8977 12.9056 13.1246 13.1319 13.2512 13.2599 14.0479 14.0537 k =-0.1066 0.1154 0.7370 ( 2306 PWs) bands (ev): -17.4723 -17.4723 -16.3006 -16.2983 -15.1054 -15.1052 -14.9630 -14.9598 -5.6886 -5.6877 -5.5318 -5.5273 -2.9777 -2.9732 -2.8988 -2.8963 -0.5655 -0.5556 -0.4410 -0.4321 0.5744 0.5814 0.6837 0.6882 1.8898 1.8922 2.4447 2.4466 2.6014 2.6046 2.7964 2.8047 12.8869 12.8949 13.1040 13.1119 13.2604 13.2695 14.0442 14.0503 k =-0.1163 0.1259 0.7370 ( 2298 PWs) bands (ev): -17.4731 -17.4730 -16.2988 -16.2963 -15.1056 -15.1054 -14.9664 -14.9629 -5.6763 -5.6754 -5.5183 -5.5134 -2.9868 -2.9823 -2.9046 -2.9020 -0.5693 -0.5587 -0.4430 -0.4335 0.5736 0.5810 0.6858 0.6906 1.8879 1.8904 2.4531 2.4542 2.5766 2.5787 2.7919 2.8004 12.8747 12.8827 13.0825 13.0908 13.2716 13.2810 14.0392 14.0455 k =-0.1260 0.1364 0.7370 ( 2294 PWs) bands (ev): -17.4739 -17.4738 -16.2969 -16.2943 -15.1057 -15.1055 -14.9700 -14.9663 -5.6632 -5.6622 -5.5038 -5.4986 -2.9963 -2.9917 -2.9109 -2.9082 -0.5729 -0.5617 -0.4446 -0.4347 0.5729 0.5805 0.6878 0.6927 1.8850 1.8878 2.4602 2.4608 2.5520 2.5530 2.7870 2.7957 12.8612 12.8691 13.0604 13.0690 13.2847 13.2942 14.0328 14.0392 k =-0.1357 0.1469 0.7370 ( 2292 PWs) bands (ev): -17.4747 -17.4747 -16.2949 -16.2921 -15.1058 -15.1056 -14.9738 -14.9699 -5.6495 -5.6485 -5.4885 -5.4830 -3.0061 -3.0014 -2.9176 -2.9148 -0.5762 -0.5646 -0.4458 -0.4354 0.5722 0.5801 0.6896 0.6947 1.8812 1.8841 2.4608 2.4649 2.5287 2.5327 2.7819 2.7908 12.8466 12.8544 13.0377 13.0466 13.2993 13.3088 14.0248 14.0314 k =-0.1453 0.1574 0.7370 ( 2292 PWs) bands (ev): -17.4757 -17.4756 -16.2928 -16.2898 -15.1059 -15.1057 -14.9778 -14.9737 -5.6352 -5.6341 -5.4725 -5.4666 -3.0160 -3.0112 -2.9247 -2.9218 -0.5792 -0.5672 -0.4464 -0.4356 0.5715 0.5796 0.6911 0.6964 1.8761 1.8792 2.4495 2.4575 2.5155 2.5235 2.7768 2.7859 12.8312 12.8388 13.0147 13.0239 13.3153 13.3247 14.0154 14.0221 k =-0.1550 0.1679 0.7370 ( 2294 PWs) bands (ev): -17.4767 -17.4766 -16.2906 -16.2875 -15.1060 -15.1057 -14.9819 -14.9776 -5.6205 -5.6193 -5.4559 -5.4497 -3.0260 -3.0212 -2.9322 -2.9292 -0.5818 -0.5694 -0.4463 -0.4352 0.5708 0.5791 0.6924 0.6978 1.8697 1.8729 2.4255 2.4342 2.5170 2.5259 2.7718 2.7810 12.8152 12.8226 12.9916 13.0009 13.3324 13.3417 14.0045 14.0112 k =-0.1647 0.1784 0.7370 ( 2294 PWs) bands (ev): -17.4777 -17.4776 -16.2883 -16.2850 -15.1060 -15.1057 -14.9862 -14.9816 -5.6053 -5.6041 -5.4387 -5.4322 -3.0361 -3.0312 -2.9400 -2.9369 -0.5839 -0.5711 -0.4455 -0.4341 0.5702 0.5785 0.6934 0.6989 1.8617 1.8651 2.3945 2.4025 2.5256 2.5341 2.7671 2.7765 12.7990 12.8060 12.9684 12.9779 13.3502 13.3593 13.9920 13.9989 k =-0.1744 0.1889 0.7370 ( 2298 PWs) bands (ev): -17.4788 -17.4787 -16.2860 -16.2826 -15.1059 -15.1057 -14.9905 -14.9858 -5.5899 -5.5886 -5.4210 -5.4142 -3.0460 -3.0410 -2.9481 -2.9448 -0.5854 -0.5723 -0.4439 -0.4322 0.5695 0.5780 0.6942 0.6997 1.8521 1.8557 2.3597 2.3671 2.5369 2.5450 2.7627 2.7723 12.7826 12.7894 12.9455 12.9551 13.3684 13.3774 13.9781 13.9850 k =-0.1841 0.1994 0.7370 ( 2298 PWs) bands (ev): -17.4800 -17.4799 -16.2836 -16.2800 -15.1059 -15.1056 -14.9949 -14.9901 -5.5743 -5.5729 -5.4030 -5.3959 -3.0557 -3.0508 -2.9563 -2.9529 -0.5862 -0.5729 -0.4413 -0.4294 0.5688 0.5774 0.6945 0.7001 1.8406 1.8443 2.3223 2.3293 2.5494 2.5572 2.7590 2.7686 12.7664 12.7730 12.9228 12.9325 13.3869 13.3957 13.9628 13.9698 k =-0.1938 0.2099 0.7370 ( 2294 PWs) bands (ev): -17.4812 -17.4811 -16.2811 -16.2775 -15.1057 -15.1054 -14.9994 -14.9944 -5.5585 -5.5571 -5.3846 -5.3773 -3.0652 -3.0602 -2.9648 -2.9611 -0.5862 -0.5727 -0.4378 -0.4257 0.5682 0.5767 0.6946 0.7001 1.8271 1.8310 2.2829 2.2896 2.5626 2.5702 2.7559 2.7657 12.7506 12.7569 12.9006 12.9104 13.4052 13.4138 13.9461 13.9531 k =-0.2035 0.2204 0.7370 ( 2294 PWs) bands (ev): -17.4825 -17.4824 -16.2786 -16.2749 -15.1055 -15.1052 -15.0039 -14.9988 -5.5428 -5.5413 -5.3660 -5.3585 -3.0743 -3.0693 -2.9733 -2.9695 -0.5854 -0.5718 -0.4332 -0.4210 0.5674 0.5760 0.6943 0.6998 1.8116 1.8156 2.2417 2.2482 2.5763 2.5837 2.7537 2.7635 12.7353 12.7415 12.8791 12.8889 13.4230 13.4314 13.9281 13.9351 k =-0.2132 0.2309 0.7370 ( 2290 PWs) bands (ev): -17.4838 -17.4837 -16.2761 -16.2722 -15.1052 -15.1049 -15.0084 -15.0032 -5.5272 -5.5257 -5.3473 -5.3396 -3.0830 -3.0780 -2.9819 -2.9779 -0.5838 -0.5700 -0.4274 -0.4151 0.5666 0.5751 0.6937 0.6992 1.7939 1.7980 2.1990 2.2053 2.5904 2.5977 2.7523 2.7622 12.7208 12.7268 12.8583 12.8682 13.4401 13.4483 13.9088 13.9159 k =-0.2132 0.2309 0.7370 ( 2290 PWs) bands (ev): -17.4838 -17.4837 -16.2761 -16.2722 -15.1052 -15.1049 -15.0084 -15.0032 -5.5272 -5.5257 -5.3473 -5.3396 -3.0830 -3.0780 -2.9819 -2.9779 -0.5838 -0.5700 -0.4274 -0.4151 0.5666 0.5751 0.6937 0.6992 1.7939 1.7980 2.1990 2.2053 2.5904 2.5977 2.7523 2.7622 12.7208 12.7268 12.8583 12.8682 13.4401 13.4483 13.9088 13.9159 k =-0.2200 0.2382 0.7269 ( 2290 PWs) bands (ev): -17.4852 -17.4851 -16.2740 -16.2701 -15.1024 -15.1021 -15.0139 -15.0087 -5.5293 -5.5277 -5.3200 -5.3123 -3.0926 -3.0885 -2.9862 -2.9811 -0.5914 -0.5774 -0.4135 -0.4005 0.5777 0.5851 0.6826 0.6884 1.7732 1.7775 2.1759 2.1821 2.6027 2.6103 2.7488 2.7588 12.7114 12.7179 12.8319 12.8411 13.4516 13.4596 13.9065 13.9141 k =-0.2268 0.2456 0.7169 ( 2292 PWs) bands (ev): -17.4874 -17.4873 -16.2709 -16.2670 -15.0994 -15.0990 -15.0193 -15.0140 -5.5397 -5.5378 -5.2847 -5.2772 -3.1059 -3.1018 -2.9883 -2.9819 -0.6005 -0.5868 -0.3958 -0.3826 0.5880 0.5937 0.6734 0.6802 1.7517 1.7561 2.1519 2.1580 2.6142 2.6222 2.7459 2.7561 12.6959 12.7033 12.8108 12.8190 13.4640 13.4717 13.9059 13.9139 k =-0.2337 0.2530 0.7068 ( 2292 PWs) bands (ev): -17.4903 -17.4902 -16.2670 -16.2631 -15.0961 -15.0956 -15.0246 -15.0194 -5.5545 -5.5523 -5.2455 -5.2383 -3.1218 -3.1175 -2.9886 -2.9809 -0.6102 -0.5969 -0.3754 -0.3625 0.5951 0.5992 0.6680 0.6765 1.7295 1.7341 2.1270 2.1331 2.6247 2.6332 2.7435 2.7539 12.6742 12.6825 12.7956 12.8028 13.4771 13.4845 13.9067 13.9151 k =-0.2405 0.2604 0.6968 ( 2290 PWs) bands (ev): -17.4939 -17.4938 -16.2625 -16.2585 -15.0926 -15.0921 -15.0299 -15.0246 -5.5713 -5.5689 -5.2047 -5.1976 -3.1396 -3.1350 -2.9874 -2.9788 -0.6199 -0.6072 -0.3534 -0.3408 0.5961 0.5999 0.6689 0.6792 1.7069 1.7116 2.1014 2.1075 2.6340 2.6431 2.7417 2.7523 12.6476 12.6567 12.7853 12.7919 13.4906 13.4976 13.9087 13.9174 k =-0.2473 0.2678 0.6867 ( 2290 PWs) bands (ev): -17.4979 -17.4978 -16.2575 -16.2535 -15.0890 -15.0884 -15.0350 -15.0298 -5.5892 -5.5865 -5.1635 -5.1565 -3.1585 -3.1538 -2.9854 -2.9760 -0.6293 -0.6172 -0.3301 -0.3179 0.5908 0.5949 0.6769 0.6882 1.6843 1.6891 2.0753 2.0814 2.6421 2.6518 2.7406 2.7513 12.6185 12.6280 12.7783 12.7846 13.5042 13.5109 13.9116 13.9206 k =-0.2541 0.2752 0.6766 ( 2289 PWs) bands (ev): -17.5023 -17.5022 -16.2521 -16.2481 -15.0852 -15.0845 -15.0400 -15.0348 -5.6072 -5.6044 -5.1226 -5.1157 -3.1781 -3.1734 -2.9827 -2.9729 -0.6382 -0.6266 -0.3059 -0.2941 0.5816 0.5857 0.6901 0.7016 1.6618 1.6666 2.0488 2.0549 2.6489 2.6593 2.7402 2.7509 12.5883 12.5981 12.7734 12.7796 13.5178 13.5242 13.9152 13.9243 k =-0.2610 0.2826 0.6666 ( 2289 PWs) bands (ev): -17.5069 -17.5069 -16.2464 -16.2424 -15.0814 -15.0806 -15.0449 -15.0398 -5.6251 -5.6222 -5.0826 -5.0757 -3.1982 -3.1935 -2.9798 -2.9696 -0.6464 -0.6354 -0.2811 -0.2698 0.5700 0.5738 0.7062 0.7175 1.6397 1.6446 2.0219 2.0281 2.6545 2.6654 2.7405 2.7511 12.5582 12.5681 12.7698 12.7761 13.5312 13.5372 13.9191 13.9284 k =-0.2678 0.2900 0.6565 ( 2289 PWs) bands (ev): -17.5117 -17.5116 -16.2406 -16.2366 -15.0775 -15.0768 -15.0494 -15.0445 -5.6425 -5.6395 -5.0437 -5.0368 -3.2183 -3.2138 -2.9767 -2.9662 -0.6539 -0.6434 -0.2558 -0.2450 0.5570 0.5605 0.7240 0.7351 1.6184 1.6233 1.9949 2.0011 2.6590 2.6702 2.7415 2.7517 12.5289 12.5389 12.7671 12.7736 13.5443 13.5500 13.9232 13.9324 k =-0.2746 0.2974 0.6464 ( 2281 PWs) bands (ev): -17.5165 -17.5164 -16.2348 -16.2308 -15.0740 -15.0730 -15.0535 -15.0488 -5.6592 -5.6561 -5.0063 -4.9995 -3.2382 -3.2340 -2.9736 -2.9628 -0.6606 -0.6506 -0.2304 -0.2201 0.5430 0.5461 0.7428 0.7536 1.5981 1.6029 1.9679 1.9742 2.6624 2.6738 2.7430 2.7527 12.5008 12.5109 12.7653 12.7719 13.5570 13.5624 13.9271 13.9363 k =-0.2815 0.3048 0.6364 ( 2283 PWs) bands (ev): -17.5213 -17.5212 -16.2291 -16.2251 -15.0715 -15.0696 -15.0567 -15.0524 -5.6750 -5.6719 -4.9707 -4.9640 -3.2577 -3.2537 -2.9705 -2.9596 -0.6666 -0.6571 -0.2050 -0.1951 0.5283 0.5309 0.7621 0.7726 1.5790 1.5837 1.9410 1.9474 2.6649 2.6763 2.7449 2.7540 12.4744 12.4845 12.7640 12.7709 13.5691 13.5743 13.9306 13.9397 k =-0.2883 0.3122 0.6263 ( 2285 PWs) bands (ev): -17.5259 -17.5258 -16.2236 -16.2196 -15.0711 -15.0674 -15.0581 -15.0541 -5.6899 -5.6867 -4.9372 -4.9305 -3.2764 -3.2729 -2.9676 -2.9565 -0.6719 -0.6627 -0.1797 -0.1704 0.5128 0.5150 0.7816 0.7919 1.5614 1.5661 1.9144 1.9209 2.6667 2.6779 2.7470 2.7554 12.4499 12.4599 12.7634 12.7705 13.5807 13.5856 13.9334 13.9424 k =-0.2951 0.3196 0.6162 ( 2283 PWs) bands (ev): -17.5303 -17.5303 -16.2184 -16.2144 -15.0732 -15.0682 -15.0568 -15.0529 -5.7036 -5.7004 -4.9060 -4.8994 -3.2942 -3.2911 -2.9648 -2.9536 -0.6764 -0.6675 -0.1548 -0.1461 0.4968 0.4984 0.8011 0.8112 1.5456 1.5502 1.8882 1.8949 2.6678 2.6788 2.7493 2.7568 12.4274 12.4374 12.7633 12.7707 13.5918 13.5964 13.9353 13.9442 k =-0.3020 0.3270 0.6062 ( 2288 PWs) bands (ev): -17.5344 -17.5344 -16.2135 -16.2095 -15.0764 -15.0711 -15.0538 -15.0500 -5.7160 -5.7129 -4.8774 -4.8708 -3.3108 -3.3082 -2.9622 -2.9510 -0.6801 -0.6716 -0.1306 -0.1224 0.4803 0.4814 0.8202 0.8301 1.5318 1.5363 1.8628 1.8696 2.6685 2.6792 2.7516 2.7582 12.4071 12.4171 12.7638 12.7714 13.6021 13.6065 13.9362 13.9449 k =-0.3088 0.3344 0.5961 ( 2278 PWs) bands (ev): -17.5382 -17.5382 -16.2090 -16.2050 -15.0800 -15.0748 -15.0501 -15.0465 -5.7271 -5.7240 -4.8517 -4.8452 -3.3259 -3.3237 -2.9599 -2.9486 -0.6832 -0.6749 -0.1073 -0.0997 0.4633 0.4641 0.8388 0.8485 1.5203 1.5246 1.8382 1.8452 2.6688 2.6791 2.7538 2.7595 12.3893 12.3992 12.7648 12.7726 13.6119 13.6161 13.9358 13.9444 k =-0.3156 0.3418 0.5860 ( 2279 PWs) bands (ev): -17.5416 -17.5416 -16.2049 -16.2010 -15.0837 -15.0785 -15.0464 -15.0427 -5.7368 -5.7336 -4.8291 -4.8227 -3.3392 -3.3375 -2.9579 -2.9465 -0.6855 -0.6775 -0.0852 -0.0783 0.4460 0.4468 0.8565 0.8661 1.5111 1.5154 1.8148 1.8220 2.6687 2.6787 2.7558 2.7607 12.3739 12.3838 12.7664 12.7743 13.6211 13.6250 13.9339 13.9423 k =-0.3224 0.3492 0.5760 ( 2281 PWs) bands (ev): -17.5446 -17.5445 -16.2014 -16.1974 -15.0873 -15.0823 -15.0428 -15.0390 -5.7450 -5.7418 -4.8100 -4.8037 -3.3507 -3.3493 -2.9562 -2.9448 -0.6871 -0.6793 -0.0648 -0.0586 0.4285 0.4299 0.8731 0.8825 1.5045 1.5087 1.7927 1.8001 2.6685 2.6780 2.7577 2.7617 12.3611 12.3709 12.7685 12.7766 13.6297 13.6335 13.9305 13.9387 k =-0.3293 0.3566 0.5659 ( 2284 PWs) bands (ev): -17.5470 -17.5470 -16.1984 -16.1945 -15.0908 -15.0859 -15.0392 -15.0354 -5.7516 -5.7484 -4.7944 -4.7882 -3.3601 -3.3588 -2.9548 -2.9435 -0.6880 -0.6804 -0.0466 -0.0412 0.4115 0.4137 0.8883 0.8975 1.5005 1.5047 1.7722 1.7799 2.6680 2.6771 2.7593 2.7626 12.3510 12.3607 12.7710 12.7793 13.6378 13.6414 13.9255 13.9335 k =-0.3361 0.3640 0.5558 ( 2280 PWs) bands (ev): -17.5490 -17.5489 -16.1960 -16.1921 -15.0941 -15.0894 -15.0359 -15.0319 -5.7567 -5.7534 -4.7827 -4.7766 -3.3672 -3.3657 -2.9538 -2.9425 -0.6882 -0.6808 -0.0311 -0.0266 0.3955 0.3986 0.9019 0.9109 1.4993 1.5034 1.7537 1.7616 2.6673 2.6760 2.7608 2.7635 12.3435 12.3531 12.7740 12.7824 13.6454 13.6489 13.9186 13.9265 k =-0.3429 0.3714 0.5458 ( 2281 PWs) bands (ev): -17.5504 -17.5503 -16.1943 -16.1903 -15.0973 -15.0928 -15.0327 -15.0286 -5.7600 -5.7567 -4.7750 -4.7690 -3.3720 -3.3699 -2.9532 -2.9419 -0.6878 -0.6805 -0.0190 -0.0154 0.3811 0.3853 0.9135 0.9223 1.5008 1.5049 1.7374 1.7456 2.6665 2.6748 2.7620 2.7643 12.3387 12.3482 12.7774 12.7860 13.6525 13.6559 13.9100 13.9176 k =-0.3498 0.3788 0.5357 ( 2283 PWs) bands (ev): -17.5513 -17.5512 -16.1931 -16.1892 -15.1003 -15.0959 -15.0298 -15.0255 -5.7617 -5.7584 -4.7714 -4.7654 -3.3742 -3.3714 -2.9529 -2.9417 -0.6867 -0.6795 -0.0110 -0.0083 0.3691 0.3744 0.9230 0.9314 1.5050 1.5092 1.7237 1.7322 2.6656 2.6735 2.7629 2.7651 12.3365 12.3460 12.7812 12.7899 13.6593 13.6626 13.8994 13.9068 k =-0.3566 0.3862 0.5256 ( 2285 PWs) bands (ev): -17.5516 -17.5515 -16.1926 -16.1887 -15.1031 -15.0989 -15.0271 -15.0227 -5.7616 -5.7583 -4.7718 -4.7659 -3.3737 -3.3702 -2.9531 -2.9419 -0.6850 -0.6779 -0.0080 -0.0058 0.3600 0.3666 0.9300 0.9381 1.5118 1.5160 1.7128 1.7216 2.6646 2.6720 2.7637 2.7660 12.3371 12.3465 12.7854 12.7942 13.6659 13.6691 13.8870 13.8942 k =-0.3566 0.3862 0.5256 ( 2285 PWs) bands (ev): -17.5516 -17.5515 -16.1926 -16.1887 -15.1031 -15.0989 -15.0271 -15.0227 -5.7616 -5.7583 -4.7718 -4.7659 -3.3737 -3.3702 -2.9531 -2.9419 -0.6850 -0.6779 -0.0080 -0.0058 0.3600 0.3666 0.9300 0.9381 1.5118 1.5160 1.7128 1.7216 2.6646 2.6720 2.7637 2.7660 12.3371 12.3465 12.7854 12.7942 13.6659 13.6691 13.8870 13.8942 k =-0.3497 0.3787 0.5155 ( 2285 PWs) bands (ev): -17.5603 -17.5602 -16.1831 -16.1791 -15.1027 -15.0985 -15.0216 -15.0171 -5.8077 -5.8044 -4.7440 -4.7380 -3.3970 -3.3934 -2.9448 -2.9334 -0.7019 -0.6948 -0.0234 -0.0214 0.3870 0.3933 0.9408 0.9491 1.5350 1.5392 1.7660 1.7745 2.6424 2.6500 2.7545 2.7567 12.3104 12.3200 12.7940 12.8028 13.6971 13.7003 13.9214 13.9288 k =-0.3429 0.3713 0.5054 ( 2283 PWs) bands (ev): -17.5701 -17.5701 -16.1722 -16.1682 -15.1020 -15.0978 -15.0159 -15.0112 -5.8549 -5.8516 -4.7161 -4.7100 -3.4208 -3.4170 -2.9370 -2.9255 -0.7167 -0.7095 -0.0366 -0.0347 0.4149 0.4210 0.9517 0.9602 1.5559 1.5601 1.8182 1.8266 2.6195 2.6272 2.7454 2.7477 12.2846 12.2945 12.8033 12.8120 13.7273 13.7305 13.9540 13.9616 k =-0.3360 0.3639 0.4953 ( 2291 PWs) bands (ev): -17.5811 -17.5811 -16.1599 -16.1559 -15.1012 -15.0968 -15.0100 -15.0052 -5.9032 -5.8999 -4.6883 -4.6821 -3.4449 -3.4410 -2.9297 -2.9181 -0.7293 -0.7221 -0.0473 -0.0456 0.4436 0.4495 0.9626 0.9714 1.5744 1.5787 1.8691 1.8773 2.5960 2.6038 2.7367 2.7389 12.2596 12.2698 12.8132 12.8219 13.7558 13.7590 13.9846 13.9923 k =-0.3292 0.3565 0.4852 ( 2285 PWs) bands (ev): -17.5933 -17.5932 -16.1462 -16.1421 -15.1000 -15.0957 -15.0039 -14.9989 -5.9524 -5.9492 -4.6607 -4.6545 -3.4693 -3.4653 -2.9230 -2.9113 -0.7398 -0.7326 -0.0553 -0.0539 0.4730 0.4787 0.9736 0.9825 1.5907 1.5950 1.9183 1.9263 2.5722 2.5800 2.7284 2.7306 12.2357 12.2461 12.8238 12.8324 13.7820 13.7851 14.0130 14.0208 k =-0.3223 0.3490 0.4751 ( 2285 PWs) bands (ev): -17.6066 -17.6065 -16.1310 -16.1270 -15.0987 -15.0943 -14.9977 -14.9926 -6.0024 -5.9992 -4.6335 -4.6273 -3.4939 -3.4898 -2.9170 -2.9052 -0.7483 -0.7410 -0.0606 -0.0594 0.5029 0.5085 0.9845 0.9937 1.6047 1.6092 1.9655 1.9733 2.5483 2.5561 2.7205 2.7227 12.2128 12.2234 12.8348 12.8435 13.8048 13.8080 14.0389 14.0468 k =-0.3154 0.3416 0.4650 ( 2287 PWs) bands (ev): -17.6210 -17.6209 -16.1144 -16.1103 -15.0971 -15.0927 -14.9913 -14.9861 -6.0531 -6.0500 -4.6068 -4.6006 -3.5187 -3.5144 -2.9116 -2.8998 -0.7549 -0.7475 -0.0630 -0.0619 0.5334 0.5388 0.9953 1.0047 1.6165 1.6211 2.0104 2.0179 2.5246 2.5323 2.7133 2.7154 12.1909 12.2018 12.8464 12.8549 13.8234 13.8266 14.0623 14.0702 k =-0.3086 0.3342 0.4549 ( 2291 PWs) bands (ev): -17.6365 -17.6364 -16.0963 -16.0922 -15.0952 -15.0908 -14.9847 -14.9794 -6.1044 -6.1014 -4.5808 -4.5745 -3.5436 -3.5392 -2.9071 -2.8952 -0.7597 -0.7521 -0.0623 -0.0614 0.5642 0.5695 1.0059 1.0156 1.6260 1.6308 2.0524 2.0595 2.5014 2.5089 2.7068 2.7089 12.1701 12.1813 12.8583 12.8668 13.8368 13.8401 14.0830 14.0909 k =-0.3017 0.3268 0.4448 ( 2287 PWs) bands (ev): -17.6531 -17.6530 -16.0768 -16.0727 -15.0932 -15.0888 -14.9780 -14.9727 -6.1562 -6.1533 -4.5555 -4.5492 -3.5684 -3.5639 -2.9033 -2.8915 -0.7628 -0.7551 -0.0584 -0.0576 0.5953 0.6005 1.0164 1.0263 1.6333 1.6383 2.0910 2.0976 2.4795 2.4866 2.7013 2.7032 12.1503 12.1617 12.8707 12.8790 13.8441 13.8473 14.1010 14.1088 k =-0.2949 0.3193 0.4346 ( 2287 PWs) bands (ev): -17.6706 -17.6705 -16.0558 -16.0518 -15.0909 -15.0865 -14.9712 -14.9658 -6.2085 -6.2056 -4.5309 -4.5246 -3.5933 -3.5886 -2.9004 -2.8886 -0.7643 -0.7566 -0.0511 -0.0504 0.6265 0.6316 1.0265 1.0368 1.6384 1.6437 2.1255 2.1314 2.4594 2.4659 2.6967 2.6986 12.1314 12.1431 12.8834 12.8916 13.8441 13.8473 14.1162 14.1239 k =-0.2880 0.3119 0.4245 ( 2287 PWs) bands (ev): -17.6891 -17.6890 -16.0335 -16.0295 -15.0885 -15.0841 -14.9643 -14.9588 -6.2610 -6.2582 -4.5072 -4.5009 -3.6180 -3.6132 -2.8985 -2.8867 -0.7645 -0.7566 -0.0405 -0.0397 0.6577 0.6627 1.0363 1.0469 1.6414 1.6470 2.1548 2.1597 2.4422 2.4478 2.6934 2.6952 12.1133 12.1253 12.8964 12.9046 13.8360 13.8390 14.1287 14.1362 k =-0.2812 0.3045 0.4144 ( 2287 PWs) bands (ev): -17.7085 -17.7084 -16.0098 -16.0059 -15.0859 -15.0815 -14.9573 -14.9517 -6.3138 -6.3111 -4.4844 -4.4782 -3.6425 -3.6376 -2.8975 -2.8857 -0.7634 -0.7555 -0.0263 -0.0255 0.6887 0.6937 1.0458 1.0568 1.6424 1.6482 2.1778 2.1811 2.4293 2.4336 2.6915 2.6931 12.0960 12.1082 12.9099 12.9179 13.8190 13.8217 14.1387 14.1459 k =-0.2743 0.2970 0.4043 ( 2285 PWs) bands (ev): -17.7286 -17.7285 -15.9849 -15.9810 -15.0831 -15.0787 -14.9501 -14.9446 -6.3667 -6.3641 -4.4625 -4.4563 -3.6668 -3.6618 -2.8975 -2.8858 -0.7613 -0.7532 -0.0086 -0.0077 0.7193 0.7243 1.0549 1.0663 1.6416 1.6477 2.1928 2.1943 2.4220 2.4247 2.6910 2.6925 12.0792 12.0916 12.9237 12.9316 13.7925 13.7948 14.1464 14.1532 k =-0.2674 0.2896 0.3942 ( 2289 PWs) bands (ev): -17.7494 -17.7493 -15.9588 -15.9550 -15.0801 -15.0758 -14.9430 -14.9374 -6.4197 -6.4172 -4.4415 -4.4354 -3.6907 -3.6857 -2.8986 -2.8870 -0.7581 -0.7500 0.0128 0.0137 0.7492 0.7544 1.0638 1.0756 1.6391 1.6454 2.1986 2.1992 2.4209 2.4218 2.6921 2.6935 12.0628 12.0753 12.9380 12.9458 13.7564 13.7582 14.1522 14.1586 k =-0.2606 0.2822 0.3841 ( 2297 PWs) bands (ev): -17.7709 -17.7708 -15.9316 -15.9278 -15.0770 -15.0727 -14.9357 -14.9302 -6.4726 -6.4703 -4.4215 -4.4154 -3.7144 -3.7092 -2.9008 -2.8893 -0.7541 -0.7459 0.0377 0.0387 0.7782 0.7835 1.0724 1.0848 1.6350 1.6417 2.1946 2.1970 2.4245 2.4254 2.6948 2.6963 12.0465 12.0591 12.9529 12.9604 13.7108 13.7121 14.1562 14.1623 k =-0.2537 0.2748 0.3740 ( 2305 PWs) bands (ev): -17.7929 -17.7928 -15.9033 -15.8996 -15.0738 -15.0696 -14.9285 -14.9229 -6.5255 -6.5233 -4.4023 -4.3964 -3.7375 -3.7323 -2.9042 -2.8927 -0.7493 -0.7411 0.0661 0.0672 0.8057 0.8113 1.0810 1.0940 1.6298 1.6367 2.1841 2.1880 2.4316 2.4335 2.6991 2.7008 12.0301 12.0426 12.9684 12.9757 13.6563 13.6571 14.1590 14.1647 k =-0.2469 0.2673 0.3639 ( 2301 PWs) bands (ev): -17.8154 -17.8153 -15.8740 -15.8703 -15.0705 -15.0663 -14.9211 -14.9156 -6.5783 -6.5761 -4.3841 -4.3782 -3.7603 -3.7550 -2.9086 -2.8973 -0.7438 -0.7356 0.0980 0.0992 0.8313 0.8372 1.0901 1.1036 1.6235 1.6307 2.1693 2.1741 2.4411 2.4435 2.7049 2.7068 12.0132 12.0258 12.9846 12.9917 13.5937 13.5943 14.1606 14.1660 k =-0.2400 0.2599 0.3538 ( 2301 PWs) bands (ev): -17.8382 -17.8381 -15.8438 -15.8403 -15.0671 -15.0630 -14.9138 -14.9084 -6.6308 -6.6287 -4.3667 -4.3609 -3.7825 -3.7771 -2.9143 -2.9030 -0.7376 -0.7294 0.1332 0.1344 0.8544 0.8606 1.0999 1.1139 1.6166 1.6239 2.1516 2.1570 2.4514 2.4540 2.7120 2.7143 11.9956 12.0081 13.0017 13.0084 13.5240 13.5246 14.1615 14.1666 k =-0.2332 0.2525 0.3437 ( 2301 PWs) bands (ev): -17.8613 -17.8612 -15.8129 -15.8094 -15.0636 -15.0596 -14.9065 -14.9011 -6.6829 -6.6811 -4.3502 -4.3445 -3.8041 -3.7986 -2.9212 -2.9100 -0.7308 -0.7227 0.1715 0.1727 0.8743 0.8807 1.1113 1.1257 1.6091 1.6166 2.1321 2.1379 2.4617 2.4642 2.7201 2.7229 11.9770 11.9893 13.0197 13.0258 13.4485 13.4494 14.1617 14.1667 k =-0.2263 0.2451 0.3336 ( 2301 PWs) bands (ev): -17.8846 -17.8845 -15.7812 -15.7778 -15.0601 -15.0561 -14.8992 -14.8939 -6.7348 -6.7330 -4.3344 -4.3289 -3.8250 -3.8196 -2.9292 -2.9182 -0.7235 -0.7154 0.2127 0.2139 0.8902 0.8967 1.1249 1.1394 1.6015 1.6091 2.1115 2.1175 2.4715 2.4739 2.7289 2.7321 11.9570 11.9690 13.0386 13.0438 13.3688 13.3700 14.1615 14.1663 k =-0.2194 0.2376 0.3235 ( 2301 PWs) bands (ev): -17.9080 -17.9079 -15.7489 -15.7456 -15.0565 -15.0526 -14.8919 -14.8867 -6.7861 -6.7845 -4.3194 -4.3140 -3.8454 -3.8398 -2.9385 -2.9277 -0.7156 -0.7076 0.2566 0.2578 0.9017 0.9081 1.1410 1.1555 1.5939 1.6017 2.0902 2.0963 2.4807 2.4828 2.7380 2.7416 11.9353 11.9469 13.0578 13.0614 13.2868 13.2885 14.1610 14.1656 k =-0.2126 0.2302 0.3133 ( 2301 PWs) bands (ev): -17.9315 -17.9314 -15.7161 -15.7128 -15.0529 -15.0491 -14.8847 -14.8795 -6.8370 -6.8355 -4.3051 -4.2998 -3.8650 -3.8594 -2.9490 -2.9383 -0.7072 -0.6993 0.3030 0.3041 0.9085 0.9145 1.1601 1.1741 1.5866 1.5943 2.0686 2.0747 2.4894 2.4912 2.7471 2.7511 11.9116 11.9228 13.0738 13.0749 13.2063 13.2109 14.1602 14.1646 k =-0.2057 0.2228 0.3032 ( 2311 PWs) bands (ev): -17.9549 -17.9548 -15.6829 -15.6797 -15.0493 -15.0456 -14.8776 -14.8725 -6.8873 -6.8858 -4.2914 -4.2863 -3.8838 -3.8782 -2.9606 -2.9501 -0.6982 -0.6904 0.3516 0.3526 0.9107 0.9162 1.1818 1.1953 1.5796 1.5873 2.0467 2.0528 2.4976 2.4991 2.7558 2.7601 11.8856 11.8962 13.0589 13.0680 13.1491 13.1614 14.1592 14.1635 k =-0.1989 0.2154 0.2931 ( 2315 PWs) bands (ev): -17.9782 -17.9781 -15.6493 -15.6462 -15.0457 -15.0420 -14.8705 -14.8655 -6.9369 -6.9356 -4.2783 -4.2733 -3.9019 -3.8962 -2.9735 -2.9632 -0.6887 -0.6811 0.4021 0.4031 0.9088 0.9137 1.2058 1.2186 1.5731 1.5808 2.0248 2.0308 2.5054 2.5067 2.7638 2.7684 11.8569 11.8669 12.9931 13.0025 13.1519 13.1637 14.1581 14.1623 k =-0.1920 0.2079 0.2830 ( 2311 PWs) bands (ev): -18.0014 -18.0013 -15.6155 -15.6125 -15.0421 -15.0385 -14.8635 -14.8587 -6.9858 -6.9846 -4.2658 -4.2610 -3.9191 -3.9134 -2.9875 -2.9773 -0.6787 -0.6712 0.4543 0.4552 0.9032 0.9075 1.2315 1.2437 1.5672 1.5748 2.0028 2.0088 2.5132 2.5142 2.7710 2.7758 11.8255 11.8348 12.9101 12.9184 13.1755 13.1855 14.1569 14.1610 k =-0.1851 0.2005 0.2729 ( 2303 PWs) bands (ev): -18.0242 -18.0241 -15.5816 -15.5787 -15.0385 -15.0350 -14.8566 -14.8519 -7.0339 -7.0328 -4.2537 -4.2491 -3.9354 -3.9298 -3.0026 -2.9926 -0.6683 -0.6609 0.5078 0.5087 0.8945 0.8984 1.2584 1.2700 1.5617 1.5692 1.9810 1.9868 2.5208 2.5217 2.7771 2.7821 11.7910 11.7996 12.8240 12.8320 13.2044 13.2133 14.1556 14.1596 k =-0.1783 0.1931 0.2628 ( 2299 PWs) bands (ev): -18.0468 -18.0467 -15.5476 -15.5448 -15.0350 -15.0316 -14.8499 -14.8453 -7.0811 -7.0801 -4.2422 -4.2377 -3.9509 -3.9452 -3.0187 -3.0090 -0.6573 -0.6502 0.5624 0.5632 0.8834 0.8868 1.2862 1.2972 1.5568 1.5642 1.9593 1.9651 2.5284 2.5291 2.7822 2.7872 11.7534 11.7611 12.7382 12.7462 13.2362 13.2443 14.1542 14.1581 k =-0.1714 0.1857 0.2527 ( 2299 PWs) bands (ev): -18.0690 -18.0689 -15.5137 -15.5110 -15.0315 -15.0282 -14.8433 -14.8388 -7.1274 -7.1265 -4.2310 -4.2267 -3.9655 -3.9598 -3.0358 -3.0263 -0.6460 -0.6390 0.6178 0.6185 0.8703 0.8734 1.3144 1.3250 1.5524 1.5596 1.9379 1.9436 2.5361 2.5367 2.7859 2.7911 11.7125 11.7194 12.6540 12.6621 13.2705 13.2779 14.1528 14.1565 k =-0.1646 0.1782 0.2426 ( 2305 PWs) bands (ev): -18.0907 -18.0906 -15.4800 -15.4774 -15.0280 -15.0249 -14.8368 -14.8325 -7.1727 -7.1719 -4.2202 -4.2161 -3.9791 -3.9735 -3.0539 -3.0446 -0.6342 -0.6274 0.6734 0.6741 0.8559 0.8587 1.3427 1.3530 1.5484 1.5555 1.9168 1.9224 2.5439 2.5444 2.7884 2.7936 11.6683 11.6743 12.5724 12.5806 13.3068 13.3137 14.1511 14.1548 k =-0.1577 0.1708 0.2325 ( 2311 PWs) bands (ev): -18.1120 -18.1119 -15.4466 -15.4441 -15.0247 -15.0217 -14.8305 -14.8264 -7.2169 -7.2162 -4.2098 -4.2059 -3.9918 -3.9862 -3.0728 -3.0637 -0.6221 -0.6155 0.7289 0.7295 0.8406 0.8432 1.3710 1.3810 1.5447 1.5518 1.8962 1.9016 2.5518 2.5522 2.7897 2.7949 11.6209 11.6261 12.4939 12.5023 13.3450 13.3514 14.1494 14.1529 k =-0.1509 0.1634 0.2224 ( 2315 PWs) bands (ev): -18.1327 -18.1326 -15.4136 -15.4112 -15.0214 -15.0185 -14.8244 -14.8205 -7.2600 -7.2593 -4.1997 -4.1960 -4.0035 -3.9979 -3.0924 -3.0836 -0.6097 -0.6032 0.7816 0.7829 0.8268 0.8293 1.3989 1.4089 1.5414 1.5484 1.8760 1.8814 2.5598 2.5602 2.7897 2.7949 11.5705 11.5749 12.4189 12.4274 13.3849 13.3908 14.1475 14.1509 k =-0.1440 0.1560 0.2123 ( 2315 PWs) bands (ev): -18.1528 -18.1527 -15.3810 -15.3788 -15.0182 -15.0154 -14.8185 -14.8148 -7.3018 -7.3013 -4.1900 -4.1865 -4.0143 -4.0087 -3.1128 -3.1042 -0.5970 -0.5908 0.8004 0.8029 0.8463 0.8476 1.4264 1.4365 1.5383 1.5455 1.8565 1.8618 2.5678 2.5683 2.7885 2.7936 11.5174 11.5210 12.3478 12.3564 13.4263 13.4317 14.1455 14.1487 k =-0.1371 0.1485 0.2022 ( 2315 PWs) bands (ev): -18.1723 -18.1722 -15.3490 -15.3469 -15.0151 -15.0124 -14.8128 -14.8092 -7.3423 -7.3419 -4.1805 -4.1772 -4.0240 -4.0186 -3.1336 -3.1253 -0.5841 -0.5781 0.7860 0.7882 0.8984 0.8991 1.4531 1.4635 1.5356 1.5431 1.8377 1.8429 2.5760 2.5764 2.7861 2.7912 11.4618 11.4648 12.2807 12.2893 13.4688 13.4738 14.1433 14.1464 k =-0.1303 0.1411 0.1921 ( 2321 PWs) bands (ev): -18.1910 -18.1910 -15.3178 -15.3158 -15.0121 -15.0096 -14.8073 -14.8039 -7.3815 -7.3811 -4.1714 -4.1683 -4.0328 -4.0275 -3.1549 -3.1469 -0.5710 -0.5653 0.7693 0.7714 0.9513 0.9518 1.4785 1.4899 1.5331 1.5417 1.8197 1.8249 2.5841 2.5846 2.7827 2.7877 11.4043 11.4067 12.2178 12.2263 13.5123 13.5169 14.1409 14.1439 k =-0.1234 0.1337 0.1819 ( 2319 PWs) bands (ev): -18.2091 -18.2090 -15.2873 -15.2855 -15.0092 -15.0068 -14.8020 -14.7989 -7.4193 -7.4189 -4.1625 -4.1596 -4.0407 -4.0354 -3.1766 -3.1688 -0.5579 -0.5524 0.7525 0.7544 1.0029 1.0034 1.5014 1.5154 1.5313 1.5425 1.8027 1.8078 2.5923 2.5927 2.7784 2.7832 11.3455 11.3474 12.1589 12.1673 13.5564 13.5607 14.1384 14.1412 k =-0.1166 0.1262 0.1718 ( 2319 PWs) bands (ev): -18.2264 -18.2263 -15.2578 -15.2561 -15.0064 -15.0042 -14.7970 -14.7941 -7.4555 -7.4552 -4.1540 -4.1513 -4.0476 -4.0424 -3.1984 -3.1908 -0.5448 -0.5396 0.7358 0.7376 1.0525 1.0532 1.5176 1.5287 1.5410 1.5499 1.7866 1.7917 2.6004 2.6008 2.7732 2.7779 11.2858 11.2873 12.1041 12.1123 13.6009 13.6048 14.1357 14.1383 k =-0.1097 0.1188 0.1617 ( 2315 PWs) bands (ev): -18.2429 -18.2428 -15.2292 -15.2277 -15.0038 -15.0016 -14.7923 -14.7895 -7.4901 -7.4899 -4.1457 -4.1433 -4.0536 -4.0485 -3.2202 -3.2130 -0.5318 -0.5268 0.7196 0.7213 1.0997 1.1005 1.5241 1.5283 1.5635 1.5678 1.7717 1.7768 2.6083 2.6088 2.7674 2.7719 11.2260 11.2271 12.0531 12.0610 13.6454 13.6490 14.1328 14.1353 k =-0.1029 0.1114 0.1516 ( 2303 PWs) bands (ev): -18.2585 -18.2585 -15.2018 -15.2003 -15.0013 -14.9993 -14.7878 -14.7852 -7.5231 -7.5229 -4.1378 -4.1355 -4.0586 -4.0538 -3.2420 -3.2350 -0.5190 -0.5143 0.7040 0.7056 1.1438 1.1449 1.5265 1.5286 1.5852 1.5899 1.7579 1.7631 2.6161 2.6166 2.7609 2.7652 11.1666 11.1674 12.0059 12.0135 13.6897 13.6930 14.1299 14.1322 k =-0.0960 0.1040 0.1415 ( 2307 PWs) bands (ev): -18.2733 -18.2732 -15.1755 -15.1742 -14.9989 -14.9970 -14.7835 -14.7812 -7.5543 -7.5542 -4.1302 -4.1282 -4.0629 -4.0582 -3.2635 -3.2569 -0.5064 -0.5020 0.6891 0.6906 1.1843 1.1856 1.5288 1.5301 1.6065 1.6118 1.7453 1.7507 2.6237 2.6242 2.7540 2.7581 11.1082 11.1088 11.9623 11.9694 13.7333 13.7363 14.1268 14.1290 k =-0.0891 0.0965 0.1314 ( 2303 PWs) bands (ev): -18.2872 -18.2871 -15.1506 -15.1494 -14.9966 -14.9949 -14.7796 -14.7774 -7.5837 -7.5836 -4.1229 -4.1211 -4.0663 -4.0618 -3.2845 -3.2783 -0.4942 -0.4900 0.6750 0.6764 1.2203 1.2219 1.5325 1.5336 1.6268 1.6328 1.7339 1.7396 2.6310 2.6315 2.7468 2.7507 11.0515 11.0519 11.9221 11.9288 13.7760 13.7787 14.1237 14.1258 k =-0.0823 0.0891 0.1213 ( 2297 PWs) bands (ev): -18.3001 -18.3001 -15.1270 -15.1260 -14.9945 -14.9929 -14.7759 -14.7739 -7.6113 -7.6112 -4.1160 -4.1145 -4.0690 -4.0647 -3.3050 -3.2991 -0.4824 -0.4785 0.6617 0.6630 1.2513 1.2532 1.5385 1.5394 1.6458 1.6527 1.7237 1.7301 2.6380 2.6384 2.7394 2.7431 10.9969 10.9972 11.8852 11.8914 13.8173 13.8198 14.1206 14.1226 k =-0.0754 0.0817 0.1112 ( 2293 PWs) bands (ev): -18.3121 -18.3121 -15.1050 -15.1041 -14.9926 -14.9911 -14.7726 -14.7708 -7.6370 -7.6369 -4.1095 -4.1082 -4.0709 -4.0669 -3.3248 -3.3192 -0.4712 -0.4676 0.6493 0.6506 1.2769 1.2790 1.5470 1.5479 1.6630 1.6712 1.7147 1.7224 2.6446 2.6450 2.7320 2.7354 10.9449 10.9451 11.8515 11.8572 13.8570 13.8592 14.1176 14.1194 k =-0.0686 0.0743 0.1011 ( 2293 PWs) bands (ev): -18.3232 -18.3231 -15.0845 -15.0837 -14.9908 -14.9894 -14.7695 -14.7679 -7.6606 -7.6606 -4.1035 -4.1023 -4.0722 -4.0685 -3.3436 -3.3385 -0.4605 -0.4572 0.6380 0.6391 1.2969 1.2991 1.5583 1.5593 1.6772 1.6882 1.7071 1.7175 2.6508 2.6511 2.7247 2.7279 10.8961 10.8962 11.8209 11.8261 13.8946 13.8966 14.1146 14.1163 k =-0.0617 0.0668 0.0910 ( 2289 PWs) bands (ev): -18.3332 -18.3332 -15.0657 -15.0651 -14.9891 -14.9879 -14.7667 -14.7653 -7.6822 -7.6822 -4.0978 -4.0970 -4.0730 -4.0697 -3.3614 -3.3566 -0.4506 -0.4476 0.6276 0.6286 1.3116 1.3138 1.5720 1.5730 1.6859 1.6981 1.7063 1.7179 2.6565 2.6568 2.7177 2.7206 10.8507 10.8507 11.7933 11.7981 13.9298 13.9317 14.1118 14.1134 k =-0.0549 0.0594 0.0809 ( 2295 PWs) bands (ev): -18.3422 -18.3422 -15.0486 -15.0481 -14.9876 -14.9866 -14.7643 -14.7630 -7.7017 -7.7017 -4.0927 -4.0921 -4.0732 -4.0703 -3.3779 -3.3735 -0.4414 -0.4388 0.6182 0.6191 1.3218 1.3240 1.5872 1.5883 1.6877 1.6934 1.7196 1.7249 2.6616 2.6619 2.7111 2.7137 10.8092 10.8092 11.7688 11.7730 13.9623 13.9640 14.1093 14.1107 k =-0.0480 0.0520 0.0708 ( 2297 PWs) bands (ev): -18.3502 -18.3502 -15.0334 -15.0330 -14.9862 -14.9853 -14.7621 -14.7610 -7.7190 -7.7190 -4.0881 -4.0878 -4.0731 -4.0706 -3.3929 -3.3890 -0.4331 -0.4308 0.6100 0.6108 1.3285 1.3305 1.6029 1.6040 1.6859 1.6887 1.7323 1.7349 2.6662 2.6664 2.7050 2.7074 10.7718 10.7718 11.7472 11.7509 13.9916 13.9932 14.1070 14.1083 k =-0.0411 0.0446 0.0606 ( 2301 PWs) bands (ev): -18.3572 -18.3572 -15.0201 -15.0197 -14.9850 -14.9843 -14.7602 -14.7593 -7.7341 -7.7341 -4.0841 -4.0840 -4.0726 -4.0706 -3.4063 -3.4029 -0.4257 -0.4237 0.6028 0.6034 1.3325 1.3344 1.6181 1.6191 1.6835 1.6850 1.7435 1.7450 2.6702 2.6703 2.6996 2.7017 10.7388 10.7388 11.7286 11.7317 14.0175 14.0189 14.1052 14.1064 k =-0.0343 0.0371 0.0505 ( 2295 PWs) bands (ev): -18.3631 -18.3631 -15.0087 -15.0084 -14.9839 -14.9833 -14.7587 -14.7579 -7.7470 -7.7470 -4.0810 -4.0807 -4.0717 -4.0704 -3.4179 -3.4150 -0.4193 -0.4177 0.5967 0.5972 1.3349 1.3365 1.6318 1.6327 1.6815 1.6823 1.7531 1.7542 2.6734 2.6736 2.6950 2.6968 10.7106 10.7106 11.7128 11.7155 14.0395 14.0407 14.1040 14.1051 k =-0.0274 0.0297 0.0404 ( 2299 PWs) bands (ev): -18.3680 -18.3680 -14.9994 -14.9992 -14.9829 -14.9824 -14.7574 -14.7568 -7.7576 -7.7575 -4.0786 -4.0781 -4.0707 -4.0699 -3.4276 -3.4252 -0.4140 -0.4127 0.5917 0.5921 1.3361 1.3374 1.6431 1.6439 1.6805 1.6808 1.7610 1.7619 2.6759 2.6761 2.6914 2.6929 10.6872 10.6872 11.7000 11.7021 14.0571 14.0582 14.1037 14.1047 k =-0.0206 0.0223 0.0303 ( 2297 PWs) bands (ev): -18.3718 -18.3717 -14.9924 -14.9922 -14.9818 -14.9816 -14.7564 -14.7559 -7.7658 -7.7658 -4.0768 -4.0762 -4.0697 -4.0693 -3.4352 -3.4334 -0.4098 -0.4087 0.5878 0.5881 1.3366 1.3376 1.6514 1.6520 1.6806 1.6807 1.7673 1.7680 2.6774 2.6777 2.6889 2.6901 10.6688 10.6688 11.6901 11.6917 14.0699 14.0709 14.1047 14.1054 k =-0.0137 0.0149 0.0202 ( 2297 PWs) bands (ev): -18.3745 -18.3745 -14.9878 -14.9876 -14.9806 -14.9805 -14.7556 -14.7554 -7.7717 -7.7717 -4.0756 -4.0750 -4.0688 -4.0687 -3.4406 -3.4394 -0.4067 -0.4060 0.5850 0.5853 1.3368 1.3375 1.6565 1.6569 1.6817 1.6819 1.7719 1.7724 2.6780 2.6783 2.6877 2.6885 10.6556 10.6556 11.6831 11.6842 14.0778 14.0784 14.1069 14.1074 k =-0.0069 0.0074 0.0101 ( 2297 PWs) bands (ev): -18.3761 -18.3761 -14.9855 -14.9854 -14.9794 -14.9794 -14.7552 -14.7550 -7.7753 -7.7753 -4.0748 -4.0745 -4.0682 -4.0682 -3.4438 -3.4432 -0.4047 -0.4044 0.5834 0.5835 1.3369 1.3373 1.6589 1.6591 1.6832 1.6833 1.7747 1.7749 2.6781 2.6782 2.6874 2.6878 10.6476 10.6476 11.6790 11.6796 14.0816 14.0819 14.1092 14.1095 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.3766 -18.3766 -14.9848 -14.9848 -14.9789 -14.9789 -14.7550 -14.7550 -7.7765 -7.7765 -4.0744 -4.0744 -4.0680 -4.0680 -3.4446 -3.4446 -0.4040 -0.4040 0.5829 0.5829 1.3371 1.3371 1.6597 1.6597 1.6838 1.6838 1.7757 1.7757 2.6781 2.6781 2.6875 2.6875 10.6450 10.6450 11.6778 11.6778 14.0828 14.0828 14.1103 14.1103 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.3766 -18.3766 -14.9848 -14.9848 -14.9789 -14.9789 -14.7550 -14.7550 -7.7765 -7.7765 -4.0744 -4.0744 -4.0680 -4.0680 -3.4446 -3.4446 -0.4040 -0.4040 0.5829 0.5829 1.3371 1.3371 1.6597 1.6597 1.6838 1.6838 1.7757 1.7757 2.6781 2.6781 2.6875 2.6875 10.6450 10.6450 11.6778 11.6778 14.0828 14.0828 14.1103 14.1103 k = 0.0104 0.0096 0.0000 ( 2301 PWs) bands (ev): -18.3760 -18.3760 -14.9849 -14.9849 -14.9790 -14.9790 -14.7563 -14.7563 -7.7747 -7.7747 -4.0736 -4.0736 -4.0671 -4.0671 -3.4454 -3.4454 -0.4032 -0.4032 0.5821 0.5821 1.3371 1.3371 1.6589 1.6589 1.6830 1.6830 1.7740 1.7740 2.6781 2.6781 2.6874 2.6874 10.6475 10.6475 11.6796 11.6796 14.0806 14.0806 14.1080 14.1080 k = 0.0208 0.0192 0.0000 ( 2301 PWs) bands (ev): -18.3743 -18.3743 -14.9853 -14.9853 -14.9793 -14.9793 -14.7604 -14.7604 -7.7694 -7.7694 -4.0710 -4.0710 -4.0646 -4.0646 -3.4478 -3.4478 -0.4011 -0.4011 0.5796 0.5796 1.3372 1.3372 1.6565 1.6565 1.6807 1.6807 1.7691 1.7691 2.6779 2.6779 2.6874 2.6874 10.6549 10.6549 11.6851 11.6851 14.0738 14.0738 14.1012 14.1012 k = 0.0312 0.0289 0.0000 ( 2309 PWs) bands (ev): -18.3713 -18.3713 -14.9859 -14.9859 -14.9799 -14.9799 -14.7672 -14.7672 -7.7606 -7.7606 -4.0668 -4.0668 -4.0604 -4.0604 -3.4518 -3.4518 -0.3975 -0.3975 0.5755 0.5755 1.3373 1.3373 1.6525 1.6525 1.6768 1.6768 1.7608 1.7608 2.6777 2.6777 2.6873 2.6873 10.6673 10.6673 11.6941 11.6941 14.0627 14.0627 14.0899 14.0899 k = 0.0417 0.0385 0.0000 ( 2297 PWs) bands (ev): -18.3672 -18.3672 -14.9866 -14.9866 -14.9807 -14.9807 -14.7767 -14.7767 -7.7483 -7.7483 -4.0609 -4.0609 -4.0544 -4.0544 -3.4573 -3.4573 -0.3926 -0.3926 0.5697 0.5697 1.3374 1.3374 1.6469 1.6469 1.6713 1.6713 1.7494 1.7494 2.6775 2.6775 2.6873 2.6873 10.6846 10.6846 11.7067 11.7067 14.0474 14.0474 14.0743 14.0743 k = 0.0521 0.0481 0.0000 ( 2301 PWs) bands (ev): -18.3619 -18.3619 -14.9877 -14.9877 -14.9817 -14.9817 -14.7888 -14.7888 -7.7326 -7.7326 -4.0534 -4.0534 -4.0468 -4.0468 -3.4645 -3.4645 -0.3862 -0.3862 0.5624 0.5624 1.3374 1.3374 1.6396 1.6396 1.6641 1.6641 1.7350 1.7350 2.6773 2.6773 2.6873 2.6873 10.7067 10.7067 11.7228 11.7228 14.0281 14.0281 14.0547 14.0547 k = 0.0625 0.0577 0.0000 ( 2293 PWs) bands (ev): -18.3554 -18.3554 -14.9889 -14.9889 -14.9829 -14.9829 -14.8034 -14.8034 -7.7134 -7.7134 -4.0441 -4.0441 -4.0376 -4.0376 -3.4732 -3.4732 -0.3784 -0.3784 0.5534 0.5534 1.3374 1.3374 1.6306 1.6306 1.6554 1.6554 1.7176 1.7176 2.6772 2.6772 2.6874 2.6874 10.7336 10.7336 11.7423 11.7423 14.0052 14.0052 14.0314 14.0314 k = 0.0729 0.0673 0.0000 ( 2297 PWs) bands (ev): -18.3478 -18.3478 -14.9903 -14.9903 -14.9844 -14.9844 -14.8206 -14.8206 -7.6910 -7.6910 -4.0333 -4.0333 -4.0267 -4.0267 -3.4834 -3.4834 -0.3692 -0.3692 0.5430 0.5430 1.3372 1.3372 1.6199 1.6199 1.6449 1.6449 1.6975 1.6975 2.6771 2.6771 2.6876 2.6876 10.7650 10.7650 11.7651 11.7651 13.9789 13.9789 14.0047 14.0047 k = 0.0833 0.0770 0.0000 ( 2297 PWs) bands (ev): -18.3390 -18.3390 -14.9920 -14.9920 -14.9860 -14.9860 -14.8403 -14.8403 -7.6653 -7.6653 -4.0209 -4.0209 -4.0143 -4.0143 -3.4952 -3.4952 -0.3587 -0.3587 0.5310 0.5310 1.3367 1.3367 1.6074 1.6074 1.6328 1.6328 1.6749 1.6749 2.6773 2.6773 2.6880 2.6880 10.8010 10.8010 11.7912 11.7912 13.9496 13.9496 13.9749 13.9749 k = 0.0938 0.0866 0.0000 ( 2293 PWs) bands (ev): -18.3291 -18.3291 -14.9938 -14.9938 -14.9878 -14.9878 -14.8623 -14.8623 -7.6364 -7.6364 -4.0069 -4.0069 -4.0002 -4.0002 -3.5086 -3.5086 -0.3468 -0.3468 0.5176 0.5176 1.3357 1.3357 1.5929 1.5929 1.6189 1.6189 1.6502 1.6502 2.6777 2.6777 2.6886 2.6886 10.8413 10.8413 11.8204 11.8204 13.9175 13.9175 13.9424 13.9424 k = 0.1042 0.0962 0.0000 ( 2293 PWs) bands (ev): -18.3180 -18.3180 -14.9959 -14.9959 -14.9899 -14.9899 -14.8866 -14.8866 -7.6044 -7.6044 -3.9914 -3.9914 -3.9846 -3.9846 -3.5234 -3.5234 -0.3336 -0.3336 0.5028 0.5028 1.3341 1.3341 1.5764 1.5764 1.6033 1.6033 1.6239 1.6239 2.6784 2.6784 2.6895 2.6895 10.8859 10.8859 11.8526 11.8526 13.8832 13.8832 13.9076 13.9076 k = 0.1146 0.1058 0.0000 ( 2301 PWs) bands (ev): -18.3059 -18.3059 -14.9981 -14.9981 -14.9921 -14.9921 -14.9131 -14.9131 -7.5694 -7.5694 -3.9744 -3.9744 -3.9676 -3.9676 -3.5398 -3.5398 -0.3191 -0.3191 0.4866 0.4866 1.3314 1.3314 1.5577 1.5577 1.5859 1.5859 1.5966 1.5966 2.6794 2.6794 2.6908 2.6908 10.9344 10.9344 11.8876 11.8876 13.8467 13.8467 13.8707 13.8707 k = 0.1250 0.1154 0.0000 ( 2301 PWs) bands (ev): -18.2926 -18.2926 -15.0006 -15.0006 -14.9944 -14.9944 -14.9416 -14.9416 -7.5315 -7.5315 -3.9559 -3.9559 -3.9490 -3.9490 -3.5577 -3.5577 -0.3033 -0.3033 0.4692 0.4692 1.3272 1.3272 1.5366 1.5366 1.5667 1.5667 1.5690 1.5690 2.6809 2.6809 2.6924 2.6924 10.9869 10.9869 11.9253 11.9253 13.8087 13.8087 13.8321 13.8321 k = 0.1354 0.1250 0.0000 ( 2289 PWs) bands (ev): -18.2782 -18.2782 -15.0033 -15.0033 -14.9970 -14.9970 -14.9720 -14.9720 -7.4908 -7.4908 -3.9360 -3.9360 -3.9291 -3.9291 -3.5771 -3.5771 -0.2862 -0.2862 0.4507 0.4507 1.3208 1.3208 1.5132 1.5132 1.5419 1.5419 1.5459 1.5459 2.6828 2.6828 2.6945 2.6945 11.0430 11.0430 11.9655 11.9655 13.7692 13.7692 13.7921 13.7921 k = 0.1458 0.1347 0.0000 ( 2289 PWs) bands (ev): -18.2627 -18.2627 -15.0091 -15.0091 -15.0014 -15.0014 -14.9996 -14.9996 -7.4474 -7.4474 -3.9148 -3.9148 -3.9078 -3.9078 -3.5979 -3.5979 -0.2680 -0.2680 0.4310 0.4310 1.3112 1.3112 1.4885 1.4885 1.5156 1.5156 1.5232 1.5232 2.6853 2.6853 2.6970 2.6970 11.1026 11.1026 12.0081 12.0081 13.7286 13.7286 13.7510 13.7510 k = 0.1562 0.1443 0.0000 ( 2306 PWs) bands (ev): -18.2462 -18.2462 -15.0397 -15.0397 -15.0078 -15.0078 -15.0024 -15.0024 -7.4015 -7.4015 -3.8923 -3.8923 -3.8852 -3.8852 -3.6203 -3.6203 -0.2486 -0.2486 0.4104 0.4104 1.2972 1.2972 1.4642 1.4642 1.4896 1.4896 1.4988 1.4988 2.6882 2.6882 2.7000 2.7000 11.1655 11.1655 12.0527 12.0527 13.6871 13.6871 13.7091 13.7091 k = 0.1667 0.1539 0.0000 ( 2306 PWs) bands (ev): -18.2287 -18.2287 -15.0754 -15.0754 -15.0110 -15.0110 -15.0054 -15.0054 -7.3531 -7.3531 -3.8686 -3.8686 -3.8614 -3.8614 -3.6441 -3.6441 -0.2281 -0.2281 0.3889 0.3889 1.2774 1.2774 1.4415 1.4415 1.4643 1.4643 1.4727 1.4727 2.6917 2.6917 2.7036 2.7036 11.2314 11.2314 12.0992 12.0992 13.6451 13.6451 13.6666 13.6666 k = 0.1771 0.1635 0.0000 ( 2306 PWs) bands (ev): -18.2101 -18.2101 -15.1128 -15.1128 -15.0141 -15.0141 -15.0084 -15.0084 -7.3024 -7.3024 -3.8437 -3.8437 -3.8364 -3.8364 -3.6693 -3.6693 -0.2065 -0.2065 0.3666 0.3666 1.2516 1.2516 1.4194 1.4194 1.4412 1.4412 1.4451 1.4451 2.6958 2.6958 2.7077 2.7077 11.3002 11.3002 12.1475 12.1475 13.6027 13.6027 13.6237 13.6237 k = 0.1875 0.1731 0.0000 ( 2290 PWs) bands (ev): -18.1905 -18.1905 -15.1516 -15.1516 -15.0173 -15.0173 -15.0115 -15.0115 -7.2494 -7.2494 -3.8177 -3.8177 -3.8102 -3.8102 -3.6959 -3.6959 -0.1839 -0.1839 0.3437 0.3437 1.2201 1.2201 1.3944 1.3944 1.4158 1.4158 1.4237 1.4237 2.7005 2.7005 2.7123 2.7123 11.3716 11.3716 12.1972 12.1972 13.5601 13.5601 13.5807 13.5807 k = 0.1979 0.1828 0.0000 ( 2290 PWs) bands (ev): -18.1700 -18.1700 -15.1918 -15.1918 -15.0205 -15.0205 -15.0147 -15.0147 -7.1944 -7.1944 -3.7909 -3.7909 -3.7831 -3.7831 -3.7239 -3.7239 -0.1604 -0.1604 0.3203 0.3203 1.1840 1.1840 1.3658 1.3658 1.3851 1.3851 1.4115 1.4115 2.7057 2.7057 2.7174 2.7174 11.4454 11.4454 12.2482 12.2482 13.5176 13.5176 13.5377 13.5377 k = 0.2083 0.1924 0.0000 ( 2270 PWs) bands (ev): -18.1485 -18.1485 -15.2331 -15.2331 -15.0238 -15.0238 -15.0180 -15.0180 -7.1374 -7.1374 -3.7647 -3.7647 -3.7553 -3.7553 -3.7514 -3.7514 -0.1361 -0.1361 0.2965 0.2965 1.1447 1.1447 1.3349 1.3349 1.3530 1.3530 1.4024 1.4024 2.7115 2.7115 2.7231 2.7231 11.5214 11.5214 12.3002 12.3002 13.4752 13.4752 13.4949 13.4949 k = 0.2188 0.2020 0.0000 ( 2270 PWs) bands (ev): -18.1261 -18.1261 -15.2754 -15.2754 -15.0272 -15.0272 -15.0214 -15.0214 -7.0785 -7.0785 -3.7853 -3.7853 -3.7333 -3.7333 -3.7260 -3.7260 -0.1111 -0.1111 0.2725 0.2725 1.1032 1.1032 1.3023 1.3023 1.3197 1.3197 1.3948 1.3948 2.7178 2.7178 2.7292 2.7292 11.5992 11.5992 12.3529 12.3529 13.4332 13.4332 13.4524 13.4524 k = 0.2292 0.2116 0.0000 ( 2270 PWs) bands (ev): -18.1029 -18.1029 -15.3187 -15.3187 -15.0305 -15.0305 -15.0247 -15.0247 -7.0179 -7.0179 -3.8175 -3.8175 -3.7039 -3.7039 -3.6963 -3.6963 -0.0855 -0.0855 0.2485 0.2485 1.0601 1.0601 1.2685 1.2685 1.2853 1.2853 1.3880 1.3880 2.7245 2.7245 2.7357 2.7357 11.6786 11.6786 12.4062 12.4062 13.3917 13.3917 13.4105 13.4105 k = 0.2396 0.2212 0.0000 ( 2278 PWs) bands (ev): -18.0789 -18.0789 -15.3628 -15.3628 -15.0339 -15.0339 -15.0281 -15.0281 -6.9557 -6.9557 -3.8513 -3.8513 -3.6738 -3.6738 -3.6659 -3.6659 -0.0596 -0.0596 0.2249 0.2249 1.0162 1.0162 1.2336 1.2336 1.2498 1.2498 1.3813 1.3813 2.7317 2.7317 2.7427 2.7427 11.7594 11.7594 12.4597 12.4597 13.3508 13.3508 13.3692 13.3692 k = 0.2500 0.2309 0.0000 ( 2278 PWs) bands (ev): -18.0540 -18.0540 -15.4076 -15.4076 -15.0373 -15.0373 -15.0315 -15.0315 -6.8920 -6.8920 -3.8865 -3.8865 -3.6430 -3.6430 -3.6350 -3.6350 -0.0339 -0.0339 0.2022 0.2022 0.9718 0.9718 1.1978 1.1978 1.2135 1.2135 1.3745 1.3745 2.7392 2.7392 2.7500 2.7500 11.8414 11.8414 12.5132 12.5132 13.3106 13.3106 13.3286 13.3286 k = 0.2604 0.2405 0.0000 ( 2278 PWs) bands (ev): -18.0285 -18.0285 -15.4528 -15.4528 -15.0408 -15.0408 -15.0349 -15.0349 -6.8269 -6.8269 -3.9232 -3.9232 -3.6118 -3.6118 -3.6036 -3.6036 -0.0092 -0.0092 0.1811 0.1811 0.9275 0.9275 1.1613 1.1613 1.1765 1.1765 1.3674 1.3674 2.7471 2.7471 2.7576 2.7576 11.9241 11.9241 12.5664 12.5664 13.2713 13.2713 13.2890 13.2890 k = 0.2708 0.2501 0.0000 ( 2278 PWs) bands (ev): -18.0023 -18.0023 -15.4985 -15.4985 -15.0441 -15.0441 -15.0383 -15.0383 -6.7606 -6.7606 -3.9613 -3.9613 -3.5803 -3.5803 -3.5719 -3.5719 0.0129 0.0129 0.1633 0.1633 0.8835 0.8835 1.1243 1.1243 1.1389 1.1389 1.3596 1.3596 2.7553 2.7553 2.7655 2.7655 12.0074 12.0074 12.6192 12.6192 13.2330 13.2330 13.2503 13.2503 k = 0.2812 0.2597 0.0000 ( 2278 PWs) bands (ev): -17.9754 -17.9754 -15.5444 -15.5444 -15.0475 -15.0475 -15.0417 -15.0417 -6.6931 -6.6931 -4.0009 -4.0009 -3.5485 -3.5485 -3.5400 -3.5400 0.0290 0.0290 0.1521 0.1521 0.8401 0.8401 1.0869 1.0869 1.1010 1.1010 1.3512 1.3512 2.7637 2.7637 2.7736 2.7736 12.0909 12.0909 12.6712 12.6712 13.1958 13.1958 13.2127 13.2127 k = 0.2917 0.2693 0.0000 ( 2270 PWs) bands (ev): -17.9481 -17.9481 -15.5904 -15.5904 -15.0508 -15.0508 -15.0450 -15.0450 -6.6246 -6.6246 -4.0419 -4.0419 -3.5167 -3.5167 -3.5080 -3.5080 0.0345 0.0345 0.1525 0.1525 0.7977 0.7977 1.0493 1.0493 1.0629 1.0629 1.3420 1.3420 2.7723 2.7723 2.7819 2.7819 12.1743 12.1743 12.7222 12.7222 13.1597 13.1597 13.1762 13.1762 k = 0.3021 0.2789 0.0000 ( 2270 PWs) bands (ev): -17.9202 -17.9202 -15.6364 -15.6364 -15.0540 -15.0540 -15.0482 -15.0482 -6.5552 -6.5552 -4.0843 -4.0843 -3.4849 -3.4849 -3.4760 -3.4760 0.0279 0.0279 0.1654 0.1654 0.7564 0.7564 1.0118 1.0118 1.0248 1.0248 1.3319 1.3319 2.7809 2.7809 2.7902 2.7902 12.2573 12.2573 12.7720 12.7720 13.1249 13.1249 13.1410 13.1410 k = 0.3125 0.2886 0.0000 ( 2262 PWs) bands (ev): -17.8920 -17.8920 -15.6822 -15.6822 -15.0572 -15.0572 -15.0514 -15.0514 -6.4850 -6.4850 -4.1282 -4.1282 -3.4533 -3.4533 -3.4442 -3.4442 0.0137 0.0137 0.1868 0.1868 0.7166 0.7166 0.9744 0.9744 0.9869 0.9869 1.3209 1.3209 2.7896 2.7896 2.7986 2.7986 12.3396 12.3396 12.8203 12.8203 13.0915 13.0915 13.1071 13.1071 k = 0.3229 0.2982 0.0000 ( 2266 PWs) bands (ev): -17.8636 -17.8636 -15.7277 -15.7277 -15.0603 -15.0603 -15.0544 -15.0544 -6.4142 -6.4142 -4.1735 -4.1735 -3.4221 -3.4221 -3.4128 -3.4128 -0.0043 -0.0043 0.2123 0.2123 0.6786 0.6786 0.9373 0.9373 0.9493 0.9493 1.3090 1.3090 2.7983 2.7983 2.8069 2.8069 12.4207 12.4207 12.8669 12.8669 13.0595 13.0595 13.0746 13.0746 k = 0.3333 0.3078 0.0000 ( 2266 PWs) bands (ev): -17.8349 -17.8349 -15.7726 -15.7726 -15.0632 -15.0632 -15.0574 -15.0574 -6.3428 -6.3428 -4.2201 -4.2201 -3.3914 -3.3914 -3.3819 -3.3819 -0.0236 -0.0236 0.2395 0.2395 0.6427 0.6427 0.9009 0.9009 0.9124 0.9124 1.2962 1.2962 2.8068 2.8068 2.8151 2.8151 12.5002 12.5002 12.9114 12.9114 13.0292 13.0292 13.0436 13.0436 k = 0.3438 0.3174 0.0000 ( 2274 PWs) bands (ev): -17.8063 -17.8063 -15.8169 -15.8169 -15.0661 -15.0661 -15.0603 -15.0603 -6.2709 -6.2709 -4.2682 -4.2682 -3.3613 -3.3613 -3.3517 -3.3517 -0.0433 -0.0433 0.2670 0.2670 0.6095 0.6095 0.8652 0.8652 0.8762 0.8762 1.2824 1.2824 2.8152 2.8152 2.8232 2.8232 12.5779 12.5779 12.9525 12.9525 13.0019 13.0019 13.0142 13.0142 k = 0.3542 0.3270 0.0000 ( 2274 PWs) bands (ev): -17.7777 -17.7777 -15.8602 -15.8602 -15.0688 -15.0688 -15.0630 -15.0630 -6.1987 -6.1987 -4.3176 -4.3176 -3.3321 -3.3321 -3.3223 -3.3223 -0.0628 -0.0628 0.2936 0.2936 0.5797 0.5797 0.8305 0.8305 0.8411 0.8411 1.2677 1.2677 2.8234 2.8234 2.8310 2.8310 12.6533 12.6533 12.9665 12.9665 12.9861 12.9861 13.0014 13.0014 k = 0.3646 0.3367 0.0000 ( 2274 PWs) bands (ev): -17.7494 -17.7494 -15.9025 -15.9025 -15.0714 -15.0714 -15.0656 -15.0656 -6.1264 -6.1264 -4.3684 -4.3684 -3.3039 -3.3039 -3.2939 -3.2939 -0.0817 -0.0817 0.3180 0.3180 0.5543 0.5543 0.7970 0.7970 0.8071 0.8071 1.2521 1.2521 2.8313 2.8313 2.8386 2.8386 12.7260 12.7260 12.9437 12.9437 12.9600 12.9600 13.0367 13.0367 k = 0.3750 0.3463 0.0000 ( 2282 PWs) bands (ev): -17.7216 -17.7216 -15.9435 -15.9435 -15.0739 -15.0739 -15.0680 -15.0680 -6.0539 -6.0539 -4.4205 -4.4205 -3.2768 -3.2768 -3.2666 -3.2666 -0.0997 -0.0997 0.3382 0.3382 0.5352 0.5352 0.7649 0.7649 0.7746 0.7746 1.2358 1.2358 2.8389 2.8389 2.8459 2.8459 12.7954 12.7954 12.9201 12.9201 12.9355 12.9355 13.0722 13.0722 k = 0.3854 0.3559 0.0000 ( 2282 PWs) bands (ev): -17.6944 -17.6944 -15.9829 -15.9829 -15.0762 -15.0762 -15.0703 -15.0703 -5.9816 -5.9816 -4.4738 -4.4738 -3.2511 -3.2511 -3.2407 -3.2407 -0.1169 -0.1169 0.3516 0.3516 0.5249 0.5249 0.7345 0.7345 0.7437 0.7437 1.2187 1.2187 2.8461 2.8461 2.8527 2.8527 12.8609 12.8609 12.8983 12.8983 12.9128 12.9128 13.1056 13.1056 k = 0.3958 0.3655 0.0000 ( 2282 PWs) bands (ev): -17.6681 -17.6681 -16.0204 -16.0204 -15.0783 -15.0783 -15.0725 -15.0725 -5.9094 -5.9094 -4.5283 -4.5283 -3.2269 -3.2269 -3.2164 -3.2164 -0.1329 -0.1329 0.3561 0.3561 0.5253 0.5253 0.7058 0.7058 0.7147 0.7147 1.2010 1.2010 2.8529 2.8529 2.8592 2.8592 12.8766 12.8766 12.8916 12.8916 12.9241 12.9241 13.1366 13.1366 k = 0.4062 0.3751 0.0000 ( 2290 PWs) bands (ev): -17.6429 -17.6429 -16.0559 -16.0559 -15.0802 -15.0802 -15.0744 -15.0744 -5.8377 -5.8377 -4.5838 -4.5838 -3.2044 -3.2044 -3.1937 -3.1937 -0.1477 -0.1477 0.3522 0.3522 0.5357 0.5357 0.6792 0.6792 0.6877 0.6877 1.1828 1.1828 2.8592 2.8592 2.8651 2.8651 12.8581 12.8581 12.8726 12.8726 12.9812 12.9812 13.1650 13.1650 k = 0.4167 0.3848 0.0000 ( 2282 PWs) bands (ev): -17.6191 -17.6191 -16.0889 -16.0889 -15.0820 -15.0820 -15.0762 -15.0762 -5.7665 -5.7665 -4.6403 -4.6403 -3.1837 -3.1837 -3.1729 -3.1729 -0.1612 -0.1612 0.3430 0.3430 0.5528 0.5528 0.6547 0.6547 0.6629 0.6629 1.1645 1.1645 2.8650 2.8650 2.8706 2.8706 12.8412 12.8412 12.8554 12.8554 13.0337 13.0337 13.1907 13.1907 k = 0.4271 0.3944 0.0000 ( 2290 PWs) bands (ev): -17.5971 -17.5971 -16.1193 -16.1193 -15.0836 -15.0836 -15.0777 -15.0777 -5.6962 -5.6962 -4.6975 -4.6975 -3.1651 -3.1651 -3.1541 -3.1541 -0.1733 -0.1733 0.3315 0.3315 0.5734 0.5734 0.6327 0.6327 0.6406 0.6406 1.1463 1.1463 2.8701 2.8701 2.8755 2.8755 12.8262 12.8262 12.8402 12.8402 13.0809 13.0809 13.2138 13.2138 k = 0.4375 0.4040 0.0000 ( 2290 PWs) bands (ev): -17.5770 -17.5770 -16.1465 -16.1465 -15.0849 -15.0849 -15.0791 -15.0791 -5.6271 -5.6271 -4.7551 -4.7551 -3.1486 -3.1486 -3.1374 -3.1374 -0.1840 -0.1840 0.3197 0.3197 0.5948 0.5948 0.6133 0.6133 0.6210 0.6210 1.1285 1.1285 2.8747 2.8747 2.8798 2.8798 12.8131 12.8131 12.8269 12.8269 13.1224 13.1224 13.2342 13.2342 k = 0.4479 0.4136 0.0000 ( 2290 PWs) bands (ev): -17.5594 -17.5594 -16.1703 -16.1703 -15.0861 -15.0861 -15.0803 -15.0803 -5.5598 -5.5598 -4.8127 -4.8127 -3.1344 -3.1344 -3.1231 -3.1231 -0.1931 -0.1931 0.3087 0.3087 0.5962 0.5962 0.6034 0.6034 0.6169 0.6169 1.1115 1.1115 2.8787 2.8787 2.8835 2.8835 12.8019 12.8019 12.8156 12.8156 13.1577 13.1577 13.2519 13.2519 k = 0.4583 0.4232 0.0000 ( 2290 PWs) bands (ev): -17.5443 -17.5443 -16.1904 -16.1904 -15.0871 -15.0871 -15.0813 -15.0813 -5.4951 -5.4951 -4.8693 -4.8693 -3.1225 -3.1225 -3.1112 -3.1112 -0.2006 -0.2006 0.2992 0.2992 0.5824 0.5824 0.5895 0.5895 0.6360 0.6360 1.0961 1.0961 2.8819 2.8819 2.8866 2.8866 12.7928 12.7928 12.8063 12.8063 13.1866 13.1866 13.2668 13.2668 k = 0.4688 0.4328 0.0000 ( 2298 PWs) bands (ev): -17.5323 -17.5323 -16.2063 -16.2063 -15.0878 -15.0878 -15.0820 -15.0820 -5.4347 -5.4347 -4.9235 -4.9235 -3.1132 -3.1132 -3.1018 -3.1018 -0.2065 -0.2065 0.2915 0.2915 0.5714 0.5714 0.5785 0.5785 0.6525 0.6525 1.0828 1.0828 2.8845 2.8845 2.8890 2.8890 12.7856 12.7856 12.7991 12.7991 13.2090 13.2090 13.2789 13.2789 k = 0.4792 0.4425 0.0000 ( 2290 PWs) bands (ev): -17.5235 -17.5235 -16.2180 -16.2180 -15.0884 -15.0884 -15.0826 -15.0826 -5.3818 -5.3818 -4.9719 -4.9719 -3.1065 -3.1065 -3.0951 -3.0951 -0.2108 -0.2108 0.2859 0.2859 0.5635 0.5635 0.5705 0.5705 0.6653 0.6653 1.0726 1.0726 2.8863 2.8863 2.8907 2.8907 12.7805 12.7805 12.7939 12.7939 13.2247 13.2247 13.2880 13.2880 k = 0.4896 0.4521 0.0000 ( 2282 PWs) bands (ev): -17.5181 -17.5181 -16.2250 -16.2250 -15.0887 -15.0887 -15.0829 -15.0829 -5.3427 -5.3427 -5.0083 -5.0083 -3.1025 -3.1025 -3.0910 -3.0910 -0.2133 -0.2133 0.2825 0.2825 0.5588 0.5588 0.5657 0.5657 0.6734 0.6734 1.0660 1.0660 2.8874 2.8874 2.8918 2.8918 12.7775 12.7775 12.7908 12.7908 13.2340 13.2340 13.2936 13.2936 k = 0.5000 0.4617 0.0000 ( 2286 PWs) bands (ev): -17.5163 -17.5163 -16.2274 -16.2274 -15.0888 -15.0888 -15.0830 -15.0830 -5.3275 -5.3275 -5.0225 -5.0225 -3.1011 -3.1011 -3.0896 -3.0896 -0.2142 -0.2142 0.2814 0.2814 0.5572 0.5572 0.5641 0.5641 0.6762 0.6762 1.0637 1.0637 2.8878 2.8878 2.8921 2.8921 12.7764 12.7764 12.7898 12.7898 13.2370 13.2370 13.2955 13.2955 k = 0.5000 0.4617 0.0000 ( 2286 PWs) bands (ev): -17.5163 -17.5163 -16.2274 -16.2274 -15.0888 -15.0888 -15.0830 -15.0830 -5.3275 -5.3275 -5.0225 -5.0225 -3.1011 -3.1011 -3.0896 -3.0896 -0.2142 -0.2142 0.2814 0.2814 0.5572 0.5572 0.5641 0.5641 0.6762 0.6762 1.0637 1.0637 2.8878 2.8878 2.8921 2.8921 12.7764 12.7764 12.7898 12.7898 13.2370 13.2370 13.2955 13.2955 k = 0.4932 0.4691 0.0101 ( 2282 PWs) bands (ev): -17.5162 -17.5162 -16.2276 -16.2273 -15.0890 -15.0886 -15.0830 -15.0830 -5.3277 -5.3276 -5.0232 -5.0226 -3.1015 -3.1010 -3.0899 -3.0894 -0.2165 -0.2150 0.2735 0.2768 0.5506 0.5530 0.5694 0.5720 0.6821 0.6838 1.0656 1.0661 2.8872 2.8876 2.8915 2.8919 12.7746 12.7761 12.7886 12.7889 13.2381 13.2395 13.2972 13.2974 k = 0.4863 0.4765 0.0201 ( 2294 PWs) bands (ev): -17.5161 -17.5160 -16.2279 -16.2274 -15.0891 -15.0884 -15.0829 -15.0828 -5.3281 -5.3278 -5.0244 -5.0232 -3.1024 -3.1017 -3.0901 -3.0890 -0.2220 -0.2190 0.2559 0.2620 0.5302 0.5332 0.5941 0.5975 0.6978 0.7004 1.0716 1.0727 2.8857 2.8866 2.8902 2.8909 12.7703 12.7733 12.7855 12.7861 13.2425 13.2454 13.3024 13.3028 k = 0.4795 0.4839 0.0302 ( 2294 PWs) bands (ev): -17.5158 -17.5158 -16.2283 -16.2275 -15.0893 -15.0882 -15.0827 -15.0825 -5.3289 -5.3285 -5.0261 -5.0243 -3.1046 -3.1039 -3.0893 -3.0873 -0.2309 -0.2265 0.2338 0.2419 0.5032 0.5066 0.6305 0.6342 0.7179 0.7206 1.0818 1.0834 2.8835 2.8848 2.8881 2.8892 12.7633 12.7674 12.7813 12.7826 13.2502 13.2541 13.3114 13.3118 k = 0.4727 0.4913 0.0403 ( 2299 PWs) bands (ev): -17.5155 -17.5155 -16.2288 -16.2278 -15.0896 -15.0882 -15.0822 -15.0818 -5.3305 -5.3300 -5.0278 -5.0254 -3.1087 -3.1079 -3.0872 -3.0843 -0.2434 -0.2377 0.2115 0.2211 0.4730 0.4765 0.6731 0.6769 0.7400 0.7423 1.0959 1.0980 2.8803 2.8821 2.8853 2.8867 12.7531 12.7580 12.7765 12.7789 13.2603 13.2650 13.3243 13.3247 k = 0.4659 0.4987 0.0503 ( 2299 PWs) bands (ev): -17.5151 -17.5151 -16.2293 -16.2280 -15.0902 -15.0885 -15.0814 -15.0807 -5.3334 -5.3328 -5.0290 -5.0261 -3.1146 -3.1137 -3.0837 -3.0799 -0.2596 -0.2528 0.1917 0.2023 0.4412 0.4448 0.7160 0.7200 0.7660 0.7672 1.1138 1.1163 2.8762 2.8784 2.8818 2.8835 12.7399 12.7455 12.7716 12.7752 13.2726 13.2777 13.3412 13.3418 k = 0.4590 0.5061 0.0604 ( 2299 PWs) bands (ev): -17.5147 -17.5147 -16.2299 -16.2283 -15.0909 -15.0890 -15.0803 -15.0793 -5.3381 -5.3373 -5.0292 -5.0258 -3.1222 -3.1211 -3.0791 -3.0746 -0.2794 -0.2719 0.1759 0.1872 0.4085 0.4121 0.7493 0.7546 0.8017 0.8044 1.1350 1.1378 2.8711 2.8738 2.8778 2.8797 12.7241 12.7301 12.7669 12.7715 13.2866 13.2918 13.3618 13.3630 k = 0.4522 0.5135 0.0705 ( 2291 PWs) bands (ev): -17.5144 -17.5143 -16.2304 -16.2286 -15.0918 -15.0897 -15.0787 -15.0775 -5.3452 -5.3442 -5.0278 -5.0240 -3.1311 -3.1299 -3.0736 -3.0683 -0.3028 -0.2947 0.1648 0.1765 0.3755 0.3791 0.7712 0.7770 0.8503 0.8537 1.1591 1.1623 2.8650 2.8681 2.8732 2.8753 12.7060 12.7124 12.7625 12.7679 13.3022 13.3072 13.3860 13.3879 k = 0.4454 0.5209 0.0805 ( 2291 PWs) bands (ev): -17.5141 -17.5141 -16.2308 -16.2288 -15.0929 -15.0905 -15.0769 -15.0753 -5.3551 -5.3540 -5.0243 -5.0201 -3.1414 -3.1401 -3.0672 -3.0613 -0.3291 -0.3207 0.1585 0.1704 0.3425 0.3461 0.7877 0.7937 0.9050 0.9083 1.1857 1.1891 2.8579 2.8614 2.8681 2.8702 12.6858 12.6925 12.7585 12.7645 13.3192 13.3241 13.4133 13.4159 k = 0.4385 0.5283 0.0906 ( 2291 PWs) bands (ev): -17.5140 -17.5140 -16.2311 -16.2288 -15.0941 -15.0915 -15.0747 -15.0729 -5.3684 -5.3671 -5.0181 -5.0137 -3.1531 -3.1515 -3.0602 -3.0535 -0.3577 -0.3492 0.1567 0.1687 0.3099 0.3135 0.8017 0.8077 0.9622 0.9653 1.2143 1.2180 2.8497 2.8535 2.8624 2.8646 12.6638 12.6707 12.7551 12.7617 13.3378 13.3424 13.4434 13.4467 k = 0.4317 0.5357 0.1007 ( 2295 PWs) bands (ev): -17.5141 -17.5141 -16.2312 -16.2287 -15.0953 -15.0925 -15.0722 -15.0701 -5.3853 -5.3837 -5.0092 -5.0045 -3.1660 -3.1643 -3.0525 -3.0453 -0.3879 -0.3794 0.1589 0.1708 0.2779 0.2815 0.8142 0.8203 1.0204 1.0232 1.2445 1.2485 2.8405 2.8446 2.8562 2.8584 12.6402 12.6474 12.7523 12.7594 13.3579 13.3623 13.4758 13.4797 k = 0.4249 0.5431 0.1107 ( 2301 PWs) bands (ev): -17.5145 -17.5144 -16.2310 -16.2283 -15.0965 -15.0936 -15.0694 -15.0671 -5.4057 -5.4039 -4.9974 -4.9926 -3.1801 -3.1782 -3.0443 -3.0365 -0.4190 -0.4107 0.1641 0.1760 0.2471 0.2508 0.8257 0.8319 1.0790 1.0814 1.2761 1.2805 2.8301 2.8346 2.8495 2.8517 12.6152 12.6226 12.7504 12.7578 13.3796 13.3838 13.5101 13.5146 k = 0.4180 0.5505 0.1208 ( 2297 PWs) bands (ev): -17.5152 -17.5152 -16.2304 -16.2275 -15.0977 -15.0946 -15.0663 -15.0637 -5.4296 -5.4275 -4.9829 -4.9779 -3.1953 -3.1933 -3.0356 -3.0274 -0.4505 -0.4424 0.1704 0.1823 0.2193 0.2230 0.8366 0.8430 1.1373 1.1392 1.3088 1.3138 2.8186 2.8235 2.8423 2.8445 12.5892 12.5967 12.7494 12.7572 13.4028 13.4069 13.5460 13.5509 k = 0.4112 0.5578 0.1309 ( 2297 PWs) bands (ev): -17.5164 -17.5164 -16.2293 -16.2262 -15.0989 -15.0956 -15.0630 -15.0602 -5.4567 -5.4545 -4.9659 -4.9607 -3.2116 -3.2094 -3.0267 -3.0179 -0.4818 -0.4738 0.1687 0.1769 0.2053 0.2085 0.8471 0.8537 1.1944 1.1960 1.3429 1.3486 2.8060 2.8112 2.8347 2.8369 12.5621 12.5698 12.7494 12.7574 13.4276 13.4316 13.5832 13.5885 k = 0.4044 0.5652 0.1409 ( 2297 PWs) bands (ev): -17.5181 -17.5181 -16.2277 -16.2245 -15.1000 -15.0966 -15.0593 -15.0563 -5.4869 -5.4844 -4.9466 -4.9413 -3.2289 -3.2266 -3.0174 -3.0083 -0.5124 -0.5046 0.1488 0.1531 0.2113 0.2177 0.8574 0.8642 1.2492 1.2511 1.3787 1.3852 2.7922 2.7978 2.8266 2.8289 12.5344 12.5423 12.7504 12.7586 13.4539 13.4577 13.6212 13.6269 k = 0.3976 0.5726 0.1510 ( 2289 PWs) bands (ev): -17.5205 -17.5204 -16.2254 -16.2220 -15.1009 -15.0974 -15.0555 -15.0522 -5.5198 -5.5171 -4.9254 -4.9200 -3.2472 -3.2447 -3.0081 -2.9985 -0.5420 -0.5344 0.1233 0.1268 0.2259 0.2332 0.8676 0.8745 1.3005 1.3032 1.4170 1.4246 2.7773 2.7832 2.8183 2.8205 12.5062 12.5142 12.7524 12.7608 13.4815 13.4852 13.6599 13.6658 k = 0.3907 0.5800 0.1611 ( 2285 PWs) bands (ev): -17.5235 -17.5234 -16.2224 -16.2189 -15.1017 -15.0981 -15.0513 -15.0479 -5.5552 -5.5524 -4.9024 -4.8969 -3.2664 -3.2637 -2.9986 -2.9887 -0.5702 -0.5628 0.0978 0.1010 0.2440 0.2514 0.8778 0.8849 1.3472 1.3508 1.4587 1.4673 2.7612 2.7674 2.8096 2.8119 12.4777 12.4859 12.7555 12.7640 13.5103 13.5139 13.6988 13.7050 k = 0.3839 0.5874 0.1711 ( 2285 PWs) bands (ev): -17.5272 -17.5272 -16.2185 -16.2149 -15.1024 -15.0986 -15.0470 -15.0433 -5.5928 -5.5898 -4.8781 -4.8725 -3.2865 -3.2836 -2.9892 -2.9789 -0.5970 -0.5896 0.0734 0.0763 0.2641 0.2715 0.8880 0.8953 1.3887 1.3929 1.5047 1.5138 2.7440 2.7505 2.8006 2.8029 12.4490 12.4575 12.7596 12.7682 13.5403 13.5438 13.7377 13.7441 k = 0.3771 0.5948 0.1812 ( 2285 PWs) bands (ev): -17.5319 -17.5318 -16.2137 -16.2100 -15.1029 -15.0990 -15.0423 -15.0385 -5.6325 -5.6294 -4.8527 -4.8470 -3.3073 -3.3043 -2.9798 -2.9693 -0.6219 -0.6147 0.0504 0.0531 0.2861 0.2932 0.8983 0.9058 1.4251 1.4296 1.5542 1.5636 2.7256 2.7324 2.7915 2.7938 12.4205 12.4292 12.7647 12.7734 13.5710 13.5745 13.7763 13.7829 k = 0.3702 0.6022 0.1913 ( 2285 PWs) bands (ev): -17.5374 -17.5374 -16.2078 -16.2040 -15.1032 -15.0992 -15.0375 -15.0334 -5.6740 -5.6708 -4.8263 -4.8205 -3.3288 -3.3257 -2.9706 -2.9599 -0.6450 -0.6378 0.0290 0.0316 0.3095 0.3164 0.9087 0.9165 1.4573 1.4617 1.6062 1.6155 2.7063 2.7133 2.7823 2.7846 12.3922 12.4011 12.7707 12.7795 13.6025 13.6058 13.8142 13.8211 k = 0.3634 0.6096 0.2013 ( 2283 PWs) bands (ev): -17.5440 -17.5439 -16.2008 -16.1969 -15.1032 -15.0992 -15.0324 -15.0282 -5.7171 -5.7138 -4.7993 -4.7934 -3.3510 -3.3477 -2.9617 -2.9507 -0.6661 -0.6589 0.0095 0.0119 0.3342 0.3409 0.9193 0.9272 1.4860 1.4903 1.6594 1.6684 2.6859 2.6931 2.7730 2.7753 12.3644 12.3735 12.7776 12.7864 13.6342 13.6375 13.8512 13.8583 k = 0.3566 0.6170 0.2114 ( 2285 PWs) bands (ev): -17.5516 -17.5515 -16.1926 -16.1887 -15.1031 -15.0989 -15.0271 -15.0227 -5.7616 -5.7583 -4.7718 -4.7659 -3.3737 -3.3702 -2.9531 -2.9419 -0.6850 -0.6779 -0.0080 -0.0058 0.3600 0.3666 0.9300 0.9381 1.5118 1.5160 1.7128 1.7216 2.6646 2.6720 2.7637 2.7660 12.3371 12.3465 12.7854 12.7942 13.6659 13.6691 13.8870 13.8942 k = 0.3566 0.6170 0.2114 ( 2285 PWs) bands (ev): -17.5516 -17.5515 -16.1926 -16.1887 -15.1031 -15.0989 -15.0271 -15.0227 -5.7616 -5.7583 -4.7718 -4.7659 -3.3737 -3.3702 -2.9531 -2.9419 -0.6850 -0.6779 -0.0080 -0.0058 0.3600 0.3666 0.9300 0.9381 1.5118 1.5160 1.7128 1.7216 2.6646 2.6720 2.7637 2.7660 12.3371 12.3465 12.7854 12.7942 13.6659 13.6691 13.8870 13.8942 k = 0.3443 0.6130 0.2168 ( 2285 PWs) bands (ev): -17.5568 -17.5567 -16.1869 -16.1829 -15.1027 -15.0986 -15.0241 -15.0196 -5.7888 -5.7855 -4.7545 -4.7486 -3.3865 -3.3830 -2.9493 -2.9380 -0.6937 -0.6865 -0.0160 -0.0138 0.3747 0.3811 0.9341 0.9424 1.5256 1.5299 1.7419 1.7506 2.6528 2.6603 2.7586 2.7609 12.3233 12.3327 12.7901 12.7989 13.6812 13.6844 13.9051 13.9124 k = 0.3320 0.6091 0.2222 ( 2286 PWs) bands (ev): -17.5635 -17.5634 -16.1794 -16.1754 -15.1020 -15.0978 -15.0209 -15.0163 -5.8210 -5.8177 -4.7330 -4.7270 -3.4002 -3.3966 -2.9471 -2.9357 -0.7004 -0.6933 -0.0224 -0.0202 0.3903 0.3966 0.9350 0.9436 1.5406 1.5451 1.7717 1.7803 2.6409 2.6485 2.7535 2.7559 12.3108 12.3203 12.7955 12.8044 13.6932 13.6963 13.9220 13.9294 k = 0.3197 0.6051 0.2277 ( 2286 PWs) bands (ev): -17.5715 -17.5715 -16.1703 -16.1663 -15.1009 -15.0967 -15.0175 -15.0128 -5.8574 -5.8541 -4.7080 -4.7020 -3.4146 -3.4109 -2.9463 -2.9349 -0.7052 -0.6981 -0.0273 -0.0249 0.4068 0.4129 0.9330 0.9419 1.5567 1.5615 1.8019 1.8104 2.6291 2.6366 2.7484 2.7510 12.2996 12.3093 12.8016 12.8105 13.7018 13.7049 13.9378 13.9452 k = 0.3074 0.6011 0.2331 ( 2291 PWs) bands (ev): -17.5807 -17.5807 -16.1599 -16.1559 -15.0995 -15.0952 -15.0139 -15.0091 -5.8969 -5.8937 -4.6804 -4.6743 -3.4294 -3.4256 -2.9469 -2.9355 -0.7083 -0.7012 -0.0308 -0.0281 0.4242 0.4301 0.9283 0.9376 1.5734 1.5786 1.8320 1.8404 2.6176 2.6250 2.7435 2.7463 12.2898 12.2995 12.8085 12.8174 13.7070 13.7100 13.9526 13.9600 k = 0.2951 0.5971 0.2385 ( 2287 PWs) bands (ev): -17.5909 -17.5909 -16.1485 -16.1445 -15.0976 -15.0933 -15.0101 -15.0052 -5.9389 -5.9357 -4.6509 -4.6448 -3.4445 -3.4407 -2.9490 -2.9375 -0.7097 -0.7027 -0.0330 -0.0300 0.4424 0.4482 0.9213 0.9311 1.5903 1.5960 1.8617 1.8700 2.6065 2.6137 2.7389 2.7419 12.2815 12.2912 12.8160 12.8250 13.7090 13.7119 13.9665 13.9739 k = 0.2828 0.5931 0.2439 ( 2287 PWs) bands (ev): -17.6019 -17.6019 -16.1362 -16.1323 -15.0954 -15.0911 -15.0060 -15.0010 -5.9826 -5.9794 -4.6200 -4.6140 -3.4598 -3.4559 -2.9523 -2.9409 -0.7095 -0.7025 -0.0340 -0.0307 0.4614 0.4670 0.9124 0.9227 1.6071 1.6133 1.8907 1.8989 2.5959 2.6030 2.7348 2.7381 12.2745 12.2842 12.8243 12.8333 13.7079 13.7107 13.9795 13.9868 k = 0.2705 0.5892 0.2493 ( 2287 PWs) bands (ev): -17.6135 -17.6135 -16.1234 -16.1194 -15.0928 -15.0885 -15.0018 -14.9967 -6.0274 -6.0243 -4.5884 -4.5824 -3.4750 -3.4711 -2.9569 -2.9455 -0.7077 -0.7009 -0.0342 -0.0304 0.4810 0.4864 0.9021 0.9131 1.6233 1.6301 1.9185 1.9267 2.5861 2.5929 2.7314 2.7351 12.2690 12.2786 12.8332 12.8422 13.7041 13.7067 13.9914 13.9986 k = 0.2582 0.5852 0.2547 ( 2289 PWs) bands (ev): -17.6256 -17.6256 -16.1101 -16.1062 -15.0900 -15.0857 -14.9974 -14.9922 -6.0729 -6.0698 -4.5565 -4.5505 -3.4899 -3.4859 -2.9628 -2.9514 -0.7046 -0.6978 -0.0334 -0.0293 0.5010 0.5062 0.8909 0.9026 1.6384 1.6458 1.9449 1.9529 2.5771 2.5836 2.7290 2.7331 12.2648 12.2744 12.8427 12.8518 13.6977 13.7004 14.0022 14.0093 k = 0.2459 0.5812 0.2602 ( 2291 PWs) bands (ev): -17.6380 -17.6379 -16.0966 -16.0928 -15.0868 -15.0825 -14.9927 -14.9875 -6.1185 -6.1155 -4.5246 -4.5187 -3.5043 -3.5002 -2.9698 -2.9585 -0.7001 -0.6934 -0.0321 -0.0275 0.5211 0.5262 0.8795 0.8919 1.6520 1.6599 1.9696 1.9774 2.5691 2.5752 2.7279 2.7323 12.2620 12.2714 12.8528 12.8619 13.6893 13.6919 14.0118 14.0188 k = 0.2336 0.5772 0.2656 ( 2291 PWs) bands (ev): -17.6505 -17.6504 -16.0831 -16.0794 -15.0834 -15.0792 -14.9879 -14.9826 -6.1638 -6.1609 -4.4932 -4.4874 -3.5179 -3.5138 -2.9779 -2.9667 -0.6944 -0.6879 -0.0302 -0.0252 0.5408 0.5459 0.8685 0.8817 1.6637 1.6721 1.9923 2.0000 2.5619 2.5677 2.7283 2.7331 12.2605 12.2698 12.8634 12.8725 13.6790 13.6816 14.0202 14.0270 k = 0.2213 0.5732 0.2710 ( 2291 PWs) bands (ev): -17.6630 -17.6629 -16.0698 -16.0662 -15.0798 -15.0757 -14.9828 -14.9775 -6.2085 -6.2058 -4.4626 -4.4568 -3.5306 -3.5264 -2.9870 -2.9759 -0.6876 -0.6812 -0.0279 -0.0226 0.5595 0.5646 0.8588 0.8729 1.6729 1.6818 2.0131 2.0205 2.5556 2.5610 2.7306 2.7356 12.2603 12.2694 12.8745 12.8835 13.6672 13.6698 14.0272 14.0339 k = 0.2090 0.5693 0.2764 ( 2295 PWs) bands (ev): -17.6754 -17.6754 -16.0567 -16.0532 -15.0761 -15.0720 -14.9776 -14.9723 -6.2524 -6.2497 -4.4330 -4.4274 -3.5422 -3.5379 -2.9971 -2.9861 -0.6798 -0.6735 -0.0253 -0.0197 0.5763 0.5814 0.8515 0.8664 1.6793 1.6888 2.0317 2.0389 2.5499 2.5549 2.7349 2.7402 12.2613 12.2702 12.8858 12.8948 13.6541 13.6567 14.0330 14.0395 k = 0.1967 0.5653 0.2818 ( 2292 PWs) bands (ev): -17.6876 -17.6876 -16.0440 -16.0407 -15.0723 -15.0683 -14.9722 -14.9669 -6.2950 -6.2925 -4.4047 -4.3993 -3.5523 -3.5480 -3.0080 -2.9972 -0.6711 -0.6650 -0.0226 -0.0167 0.5901 0.5953 0.8481 0.8636 1.6827 1.6925 2.0485 2.0554 2.5447 2.5494 2.7415 2.7469 12.2635 12.2722 12.8973 12.9062 13.6401 13.6428 14.0376 14.0438 k = 0.1844 0.5613 0.2872 ( 2294 PWs) bands (ev): -17.6995 -17.6994 -16.0319 -16.0286 -15.0684 -15.0645 -14.9666 -14.9615 -6.3363 -6.3338 -4.3780 -4.3727 -3.5609 -3.5564 -3.0198 -3.0091 -0.6617 -0.6557 -0.0199 -0.0137 0.5999 0.6051 0.8497 0.8657 1.6827 1.6929 2.0636 2.0701 2.5397 2.5442 2.7503 2.7557 12.2669 12.2752 12.9088 12.9176 13.6253 13.6282 14.0409 14.0470 k = 0.1721 0.5573 0.2927 ( 2295 PWs) bands (ev): -17.7110 -17.7109 -16.0203 -16.0172 -15.0646 -15.0609 -14.9609 -14.9559 -6.3758 -6.3735 -4.3530 -4.3480 -3.5677 -3.5632 -3.0323 -3.0218 -0.6516 -0.6459 -0.0172 -0.0108 0.6050 0.6099 0.8575 0.8734 1.6791 1.6896 2.0772 2.0834 2.5349 2.5392 2.7611 2.7664 12.2712 12.2793 12.9202 12.9289 13.6101 13.6130 14.0433 14.0491 k = 0.1598 0.5533 0.2981 ( 2297 PWs) bands (ev): -17.7219 -17.7219 -16.0094 -16.0065 -15.0608 -15.0573 -14.9552 -14.9504 -6.4135 -6.4114 -4.3300 -4.3252 -3.5726 -3.5680 -3.0454 -3.0351 -0.6410 -0.6355 -0.0145 -0.0081 0.6053 0.6097 0.8714 0.8870 1.6720 1.6828 2.0896 2.0954 2.5302 2.5342 2.7737 2.7788 12.2765 12.2842 12.9314 12.9399 13.5945 13.5976 14.0447 14.0503 k = 0.1476 0.5494 0.3035 ( 2299 PWs) bands (ev): -17.7324 -17.7323 -15.9992 -15.9964 -15.0572 -15.0538 -14.9495 -14.9448 -6.4492 -6.4472 -4.3090 -4.3046 -3.5756 -3.5709 -3.0590 -3.0490 -0.6302 -0.6249 -0.0121 -0.0055 0.6014 0.6053 0.8910 0.9059 1.6614 1.6723 2.1010 2.1064 2.5255 2.5293 2.7876 2.7924 12.2826 12.2900 12.9422 12.9505 13.5789 13.5821 14.0453 14.0507 k = 0.1353 0.5454 0.3089 ( 2302 PWs) bands (ev): -17.7422 -17.7421 -15.9897 -15.9872 -15.0537 -15.0506 -14.9438 -14.9394 -6.4826 -6.4807 -4.2903 -4.2861 -3.5766 -3.5718 -3.0730 -3.0633 -0.6191 -0.6142 -0.0098 -0.0033 0.5943 0.5978 0.9151 0.9293 1.6474 1.6584 2.1115 2.1165 2.5208 2.5244 2.8025 2.8070 12.2894 12.2963 12.9524 12.9604 13.5635 13.5667 14.0454 14.0505 k = 0.1230 0.5414 0.3143 ( 2305 PWs) bands (ev): -17.7513 -17.7512 -15.9810 -15.9787 -15.0504 -15.0475 -14.9382 -14.9341 -6.5136 -6.5119 -4.2737 -4.2699 -3.5756 -3.5708 -3.0872 -3.0778 -0.6081 -0.6035 -0.0077 -0.0013 0.5850 0.5883 0.9426 0.9562 1.6303 1.6414 2.1212 2.1258 2.5163 2.5196 2.8178 2.8219 12.2966 12.3032 12.9620 12.9697 13.5483 13.5517 14.0450 14.0498 k = 0.1107 0.5374 0.3198 ( 2301 PWs) bands (ev): -17.7597 -17.7596 -15.9731 -15.9710 -15.0474 -15.0447 -14.9328 -14.9290 -6.5421 -6.5406 -4.2592 -4.2558 -3.5728 -3.5680 -3.1014 -3.0925 -0.5973 -0.5930 -0.0059 0.0003 0.5746 0.5777 0.9727 0.9857 1.6104 1.6215 2.1302 2.1344 2.5119 2.5149 2.8331 2.8368 12.3043 12.3103 12.9708 12.9781 13.5338 13.5371 14.0444 14.0489 k = 0.0984 0.5334 0.3252 ( 2299 PWs) bands (ev): -17.7673 -17.7672 -15.9661 -15.9642 -15.0446 -15.0422 -14.9276 -14.9242 -6.5680 -6.5666 -4.2469 -4.2439 -3.5684 -3.5637 -3.1155 -3.1071 -0.5869 -0.5829 -0.0043 0.0016 0.5638 0.5667 1.0046 1.0169 1.5881 1.5991 2.1385 2.1422 2.5077 2.5105 2.8479 2.8512 12.3120 12.3175 12.9788 12.9856 13.5200 13.5233 14.0436 14.0478 k = 0.0861 0.5294 0.3306 ( 2301 PWs) bands (ev): -17.7741 -17.7740 -15.9599 -15.9582 -15.0420 -15.0399 -14.9229 -14.9198 -6.5910 -6.5898 -4.2366 -4.2340 -3.5628 -3.5582 -3.1291 -3.1213 -0.5770 -0.5734 -0.0029 0.0026 0.5532 0.5559 1.0375 1.0494 1.5637 1.5745 2.1460 2.1493 2.5038 2.5063 2.8619 2.8648 12.3197 12.3247 12.9859 12.9921 13.5072 13.5104 14.0429 14.0466 k = 0.0738 0.5255 0.3360 ( 2301 PWs) bands (ev): -17.7800 -17.7800 -15.9544 -15.9530 -15.0398 -15.0380 -14.9185 -14.9159 -6.6112 -6.6102 -4.2282 -4.2259 -3.5562 -3.5518 -3.1420 -3.1350 -0.5679 -0.5648 -0.0018 0.0032 0.5432 0.5458 1.0711 1.0824 1.5378 1.5484 2.1527 2.1555 2.5004 2.5025 2.8747 2.8772 12.3271 12.3314 12.9920 12.9976 13.4956 13.4985 14.0422 14.0455 k = 0.0615 0.5215 0.3414 ( 2304 PWs) bands (ev): -17.7851 -17.7851 -15.9498 -15.9486 -15.0379 -15.0363 -14.9147 -14.9124 -6.6285 -6.6276 -4.2214 -4.2195 -3.5492 -3.5452 -3.1539 -3.1477 -0.5598 -0.5571 -0.0008 0.0036 0.5343 0.5366 1.1046 1.1153 1.5109 1.5211 2.1585 2.1609 2.4973 2.4992 2.8861 2.8881 12.3339 12.3376 12.9972 13.0021 13.4854 13.4880 14.0416 14.0445 k = 0.0492 0.5175 0.3468 ( 2300 PWs) bands (ev): -17.7893 -17.7893 -15.9461 -15.9451 -15.0363 -15.0350 -14.9114 -14.9096 -6.6426 -6.6419 -4.2161 -4.2146 -3.5422 -3.5388 -3.1643 -3.1590 -0.5528 -0.5506 0.0000 0.0037 0.5267 0.5287 1.1372 1.1473 1.4839 1.4935 2.1633 2.1653 2.4948 2.4963 2.8957 2.8973 12.3399 12.3430 13.0015 13.0055 13.4769 13.4791 14.0413 14.0436 k = 0.0369 0.5135 0.3523 ( 2296 PWs) bands (ev): -17.7926 -17.7926 -15.9431 -15.9424 -15.0350 -15.0340 -14.9087 -14.9073 -6.6537 -6.6531 -4.2121 -4.2110 -3.5359 -3.5331 -3.1728 -3.1687 -0.5471 -0.5454 0.0008 0.0036 0.5207 0.5222 1.1681 1.1770 1.4580 1.4667 2.1672 2.1687 2.4929 2.4940 2.9035 2.9046 12.3450 12.3473 13.0049 13.0080 13.4701 13.4718 14.0411 14.0428 k = 0.0246 0.5095 0.3577 ( 2293 PWs) bands (ev): -17.7949 -17.7949 -15.9410 -15.9405 -15.0340 -15.0334 -14.9067 -14.9058 -6.6616 -6.6612 -4.2093 -4.2086 -3.5308 -3.5288 -3.1790 -3.1762 -0.5428 -0.5417 0.0014 0.0033 0.5164 0.5174 1.1952 1.2024 1.4353 1.4424 2.1701 2.1711 2.4915 2.4922 2.9091 2.9099 12.3489 12.3504 13.0074 13.0096 13.4652 13.4664 14.0410 14.0422 k = 0.0123 0.5056 0.3631 ( 2293 PWs) bands (ev): -17.7964 -17.7963 -15.9396 -15.9394 -15.0333 -15.0330 -14.9054 -14.9049 -6.6663 -6.6661 -4.2076 -4.2072 -3.5272 -3.5262 -3.1826 -3.1812 -0.5401 -0.5395 0.0020 0.0030 0.5138 0.5144 1.2155 1.2198 1.4195 1.4237 2.1720 2.1725 2.4907 2.4911 2.9127 2.9131 12.3514 12.3522 13.0092 13.0102 13.4624 13.4630 14.0411 14.0417 k = 0.0000 0.5016 0.3685 ( 2294 PWs) bands (ev): -17.7968 -17.7968 -15.9391 -15.9391 -15.0330 -15.0330 -14.9048 -14.9048 -6.6678 -6.6678 -4.2069 -4.2069 -3.5257 -3.5257 -3.1834 -3.1834 -0.5390 -0.5390 0.0025 0.0025 0.5132 0.5132 1.2248 1.2248 1.4151 1.4151 2.1728 2.1728 2.4906 2.4906 2.9140 2.9140 12.3525 12.3525 13.0101 13.0101 13.4616 13.4616 14.0414 14.0414 k = 0.0000 0.5016 0.3685 ( 2294 PWs) bands (ev): -17.7968 -17.7968 -15.9391 -15.9391 -15.0330 -15.0330 -14.9048 -14.9048 -6.6678 -6.6678 -4.2069 -4.2069 -3.5257 -3.5257 -3.1834 -3.1834 -0.5390 -0.5390 0.0025 0.0025 0.5132 0.5132 1.2248 1.2248 1.4151 1.4151 2.1728 2.1728 2.4906 2.4906 2.9140 2.9140 12.3525 12.3525 13.0101 13.0101 13.4616 13.4616 14.0414 14.0414 k = 0.0068 0.4943 0.3785 ( 2298 PWs) bands (ev): -17.7964 -17.7964 -15.9397 -15.9394 -15.0335 -15.0331 -14.9049 -14.9047 -6.6670 -6.6668 -4.2098 -4.2088 -3.5248 -3.5237 -3.1831 -3.1828 -0.5397 -0.5396 0.0015 0.0021 0.5129 0.5136 1.2256 1.2264 1.4153 1.4157 2.1722 2.1730 2.4904 2.4914 2.9134 2.9137 12.3534 12.3535 13.0101 13.0107 13.4595 13.4604 14.0412 14.0426 k = 0.0135 0.4870 0.3884 ( 2298 PWs) bands (ev): -17.7950 -17.7950 -15.9412 -15.9407 -15.0346 -15.0337 -14.9050 -14.9047 -6.6641 -6.6638 -4.2172 -4.2153 -3.5211 -3.5190 -3.1820 -3.1815 -0.5416 -0.5413 -0.0007 0.0004 0.5128 0.5143 1.2290 1.2306 1.4165 1.4172 2.1714 2.1729 2.4908 2.4929 2.9121 2.9126 12.3561 12.3562 13.0108 13.0119 13.4540 13.4558 14.0420 14.0447 k = 0.0203 0.4796 0.3984 ( 2298 PWs) bands (ev): -17.7927 -17.7927 -15.9436 -15.9428 -15.0361 -15.0349 -14.9052 -14.9047 -6.6594 -6.6588 -4.2291 -4.2263 -3.5147 -3.5116 -3.1801 -3.1794 -0.5447 -0.5442 -0.0043 -0.0026 0.5130 0.5152 1.2348 1.2371 1.4185 1.4196 2.1703 2.1726 2.4918 2.4949 2.9099 2.9107 12.3606 12.3608 13.0120 13.0136 13.4455 13.4481 14.0435 14.0476 k = 0.0270 0.4723 0.4083 ( 2298 PWs) bands (ev): -17.7895 -17.7894 -15.9469 -15.9459 -15.0382 -15.0366 -14.9054 -14.9047 -6.6527 -6.6519 -4.2451 -4.2415 -3.5059 -3.5020 -3.1775 -3.1766 -0.5488 -0.5482 -0.0091 -0.0068 0.5135 0.5162 1.2429 1.2458 1.4214 1.4228 2.1689 2.1719 2.4935 2.4976 2.9070 2.9079 12.3669 12.3671 13.0138 13.0160 13.4342 13.4376 14.0456 14.0508 k = 0.0338 0.4650 0.4183 ( 2292 PWs) bands (ev): -17.7854 -17.7853 -15.9511 -15.9499 -15.0408 -15.0388 -14.9057 -14.9049 -6.6441 -6.6431 -4.2649 -4.2606 -3.4951 -3.4904 -3.1742 -3.1730 -0.5538 -0.5531 -0.0151 -0.0123 0.5142 0.5176 1.2531 1.2566 1.4251 1.4269 2.1672 2.1708 2.4959 2.5009 2.9032 2.9045 12.3749 12.3751 13.0162 13.0189 13.4204 13.4245 14.0477 14.0540 k = 0.0405 0.4577 0.4283 ( 2288 PWs) bands (ev): -17.7804 -17.7803 -15.9563 -15.9548 -15.0438 -15.0414 -14.9060 -14.9051 -6.6336 -6.6324 -4.2880 -4.2832 -3.4826 -3.4772 -3.1702 -3.1687 -0.5597 -0.5588 -0.0223 -0.0189 0.5152 0.5191 1.2651 1.2690 1.4298 1.4319 2.1652 2.1693 2.4990 2.5049 2.8987 2.9002 12.3846 12.3849 13.0190 13.0223 13.4047 13.4093 14.0495 14.0568 k = 0.0473 0.4504 0.4382 ( 2286 PWs) bands (ev): -17.7745 -17.7745 -15.9623 -15.9606 -15.0471 -15.0444 -14.9064 -14.9054 -6.6212 -6.6199 -4.3142 -4.3089 -3.4687 -3.4628 -3.1655 -3.1639 -0.5662 -0.5652 -0.0305 -0.0266 0.5166 0.5210 1.2785 1.2828 1.4353 1.4377 2.1628 2.1675 2.5029 2.5096 2.8935 2.8953 12.3960 12.3964 13.0222 13.0261 13.3874 13.3924 14.0505 14.0587 k = 0.0541 0.4431 0.4482 ( 2286 PWs) bands (ev): -17.7678 -17.7677 -15.9693 -15.9673 -15.0507 -15.0477 -14.9069 -14.9058 -6.6070 -6.6055 -4.3431 -4.3373 -3.4538 -3.4474 -3.1604 -3.1585 -0.5731 -0.5720 -0.0396 -0.0352 0.5183 0.5232 1.2929 1.2974 1.4417 1.4445 2.1601 2.1653 2.5076 2.5150 2.8876 2.8896 12.4090 12.4094 13.0257 13.0303 13.3690 13.3743 14.0503 14.0592 k = 0.0608 0.4357 0.4581 ( 2288 PWs) bands (ev): -17.7603 -17.7602 -15.9772 -15.9750 -15.0546 -15.0513 -14.9075 -14.9063 -6.5911 -6.5894 -4.3743 -4.3682 -3.4382 -3.4313 -3.1548 -3.1526 -0.5803 -0.5790 -0.0497 -0.0448 0.5204 0.5257 1.3080 1.3124 1.4492 1.4523 2.1572 2.1628 2.5130 2.5211 2.8810 2.8833 12.4235 12.4240 13.0295 13.0348 13.3498 13.3553 14.0485 14.0581 k = 0.0676 0.4284 0.4681 ( 2292 PWs) bands (ev): -17.7519 -17.7519 -15.9859 -15.9835 -15.0586 -15.0550 -14.9082 -14.9070 -6.5733 -6.5715 -4.4076 -4.4012 -3.4220 -3.4148 -3.1488 -3.1464 -0.5875 -0.5861 -0.0605 -0.0552 0.5230 0.5286 1.3230 1.3272 1.4576 1.4613 2.1543 2.1602 2.5192 2.5278 2.8738 2.8765 12.4396 12.4401 13.0334 13.0394 13.3303 13.3358 14.0448 14.0550 k = 0.0743 0.4211 0.4781 ( 2296 PWs) bands (ev): -17.7429 -17.7428 -15.9956 -15.9930 -15.0627 -15.0589 -14.9090 -14.9078 -6.5539 -6.5519 -4.4427 -4.4361 -3.4056 -3.3981 -3.1425 -3.1398 -0.5946 -0.5931 -0.0720 -0.0664 0.5261 0.5319 1.3376 1.3412 1.4672 1.4715 2.1514 2.1577 2.5260 2.5350 2.8660 2.8690 12.4570 12.4575 13.0373 13.0440 13.3108 13.3163 14.0390 14.0497 k = 0.0811 0.4138 0.4880 ( 2298 PWs) bands (ev): -17.7330 -17.7329 -16.0061 -16.0033 -15.0669 -15.0628 -14.9100 -14.9088 -6.5328 -6.5306 -4.4794 -4.4726 -3.3890 -3.3813 -3.1359 -3.1330 -0.6013 -0.5997 -0.0841 -0.0781 0.5297 0.5358 1.3509 1.3538 1.4780 1.4830 2.1489 2.1554 2.5333 2.5427 2.8578 2.8611 12.4757 12.4763 13.0410 13.0486 13.2917 13.2971 14.0309 14.0420 k = 0.0878 0.4065 0.4980 ( 2298 PWs) bands (ev): -17.7225 -17.7224 -16.0174 -16.0145 -15.0711 -15.0667 -14.9111 -14.9099 -6.5100 -6.5077 -4.5176 -4.5107 -3.3725 -3.3646 -3.1293 -3.1261 -0.6076 -0.6058 -0.0967 -0.0904 0.5339 0.5401 1.3625 1.3644 1.4900 1.4959 2.1470 2.1537 2.5410 2.5507 2.8491 2.8528 12.4956 12.4963 13.0443 13.0529 13.2733 13.2786 14.0203 14.0318 k = 0.0946 0.3991 0.5079 ( 2292 PWs) bands (ev): -17.7114 -17.7112 -16.0296 -16.0264 -15.0752 -15.0706 -14.9123 -14.9111 -6.4857 -6.4832 -4.5571 -4.5500 -3.3562 -3.3481 -3.1226 -3.1192 -0.6131 -0.6112 -0.1098 -0.1031 0.5387 0.5450 1.3719 1.3729 1.5032 1.5100 2.1460 2.1528 2.5490 2.5589 2.8400 2.8442 12.5166 12.5174 13.0472 13.0567 13.2561 13.2612 14.0074 14.0191 k = 0.1014 0.3918 0.5179 ( 2294 PWs) bands (ev): -17.6996 -17.6995 -16.0425 -16.0392 -15.0791 -15.0744 -14.9137 -14.9125 -6.4599 -6.4573 -4.5976 -4.5905 -3.3401 -3.3319 -3.1160 -3.1124 -0.6178 -0.6157 -0.1232 -0.1162 0.5441 0.5506 1.3783 1.3790 1.5172 1.5250 2.1462 2.1531 2.5571 2.5672 2.8307 2.8353 12.5386 12.5394 13.0492 13.0599 13.2402 13.2452 13.9920 14.0040 k = 0.1081 0.3845 0.5279 ( 2296 PWs) bands (ev): -17.6873 -17.6872 -16.0561 -16.0526 -15.0830 -15.0780 -14.9152 -14.9140 -6.4326 -6.4298 -4.6392 -4.6320 -3.3243 -3.3160 -3.1096 -3.1057 -0.6215 -0.6192 -0.1368 -0.1297 0.5502 0.5567 1.3816 1.3828 1.5319 1.5405 2.1479 2.1550 2.5651 2.5753 2.8212 2.8262 12.5614 12.5623 13.0503 13.0620 13.2261 13.2310 13.9743 13.9865 k = 0.1149 0.3772 0.5378 ( 2298 PWs) bands (ev): -17.6745 -17.6744 -16.0703 -16.0668 -15.0866 -15.0815 -14.9167 -14.9156 -6.4039 -6.4010 -4.6817 -4.6744 -3.3090 -3.3006 -3.1034 -3.0992 -0.6242 -0.6217 -0.1507 -0.1433 0.5570 0.5636 1.3819 1.3838 1.5469 1.5561 2.1514 2.1587 2.5729 2.5831 2.8115 2.8171 12.5848 12.5859 13.0502 13.0630 13.2141 13.2191 13.9545 13.9669 k = 0.1216 0.3699 0.5478 ( 2300 PWs) bands (ev): -17.6613 -17.6612 -16.0851 -16.0815 -15.0900 -15.0847 -14.9184 -14.9174 -6.3739 -6.3708 -4.7249 -4.7177 -3.2940 -3.2856 -3.0975 -3.0931 -0.6256 -0.6229 -0.1648 -0.1572 0.5647 0.5713 1.3793 1.3817 1.5618 1.5716 2.1569 2.1644 2.5802 2.5905 2.8019 2.8080 12.6088 12.6100 13.0487 13.0625 13.2043 13.2096 13.9328 13.9453 k = 0.1284 0.3626 0.5577 ( 2300 PWs) bands (ev): -17.6478 -17.6477 -16.1004 -16.0966 -15.0931 -15.0877 -14.9202 -14.9192 -6.3425 -6.3394 -4.7688 -4.7616 -3.2796 -3.2711 -3.0920 -3.0873 -0.6258 -0.6228 -0.1789 -0.1712 0.5731 0.5798 1.3737 1.3766 1.5766 1.5866 2.1646 2.1723 2.5869 2.5972 2.7924 2.7991 12.6332 12.6346 13.0460 13.0606 13.1970 13.2026 13.9093 13.9219 k = 0.1351 0.3552 0.5677 ( 2302 PWs) bands (ev): -17.6340 -17.6339 -16.1161 -16.1122 -15.0960 -15.0905 -14.9221 -14.9211 -6.3100 -6.3067 -4.8133 -4.8061 -3.2656 -3.2571 -3.0869 -3.0821 -0.6246 -0.6214 -0.1931 -0.1852 0.5825 0.5891 1.3652 1.3684 1.5909 1.6010 2.1744 2.1824 2.5929 2.6032 2.7830 2.7904 12.6577 12.6593 13.0423 13.0573 13.1922 13.1980 13.8843 13.8969 k = 0.1419 0.3479 0.5777 ( 2302 PWs) bands (ev): -17.6201 -17.6200 -16.1320 -16.1281 -15.0986 -15.0930 -14.9240 -14.9231 -6.2762 -6.2728 -4.8584 -4.8512 -3.2521 -3.2436 -3.0824 -3.0773 -0.6221 -0.6187 -0.2074 -0.1994 0.5927 0.5994 1.3537 1.3571 1.6047 1.6147 2.1864 2.1946 2.5980 2.6082 2.7740 2.7820 12.6821 12.6840 13.0377 13.0530 13.1895 13.1956 13.8580 13.8707 k = 0.1486 0.3406 0.5876 ( 2304 PWs) bands (ev): -17.6060 -17.6059 -16.1481 -16.1442 -15.1009 -15.0953 -14.9260 -14.9251 -6.2413 -6.2378 -4.9039 -4.8967 -3.2392 -3.2306 -3.0785 -3.0732 -0.6182 -0.6145 -0.2217 -0.2136 0.6040 0.6107 1.3394 1.3428 1.6179 1.6278 2.2003 2.2088 2.6020 2.6122 2.7655 2.7740 12.7064 12.7085 13.0328 13.0480 13.1887 13.1951 13.8306 13.8433 k = 0.1554 0.3333 0.5976 ( 2304 PWs) bands (ev): -17.5920 -17.5919 -16.1643 -16.1603 -15.1030 -15.0972 -14.9279 -14.9272 -6.2054 -6.2018 -4.9498 -4.9426 -3.2267 -3.2182 -3.0752 -3.0696 -0.6130 -0.6091 -0.2360 -0.2278 0.6163 0.6229 1.3223 1.3258 1.6305 1.6401 2.2160 2.2247 2.6050 2.6151 2.7574 2.7665 12.7302 12.7326 13.0278 13.0427 13.1896 13.1962 13.8025 13.8152 k = 0.1622 0.3260 0.6075 ( 2306 PWs) bands (ev): -17.5781 -17.5780 -16.1803 -16.1763 -15.1048 -15.0989 -14.9299 -14.9292 -6.1685 -6.1648 -4.9960 -4.9888 -3.2148 -3.2063 -3.0725 -3.0668 -0.6066 -0.6023 -0.2502 -0.2421 0.6296 0.6363 1.3026 1.3061 1.6425 1.6517 2.2330 2.2420 2.6069 2.6169 2.7499 2.7595 12.7532 12.7561 13.0230 13.0374 13.1919 13.1987 13.7738 13.7864 k = 0.1689 0.3187 0.6175 ( 2310 PWs) bands (ev): -17.5645 -17.5644 -16.1961 -16.1920 -15.1063 -15.1004 -14.9319 -14.9313 -6.1306 -6.1268 -5.0424 -5.0353 -3.2034 -3.1949 -3.0705 -3.0646 -0.5989 -0.5942 -0.2645 -0.2564 0.6441 0.6508 1.2806 1.2841 1.6539 1.6626 2.2510 2.2602 2.6078 2.6177 2.7428 2.7528 12.7754 12.7788 13.0186 13.0324 13.1955 13.2025 13.7447 13.7572 k = 0.1757 0.3113 0.6275 ( 2308 PWs) bands (ev): -17.5512 -17.5511 -16.2115 -16.2074 -15.1076 -15.1016 -14.9338 -14.9333 -6.0919 -6.0880 -5.0890 -5.0819 -3.1925 -3.1840 -3.0692 -3.0631 -0.5900 -0.5850 -0.2788 -0.2707 0.6597 0.6665 1.2566 1.2600 1.6646 1.6729 2.2696 2.2790 2.6079 2.6176 2.7363 2.7465 12.7965 12.8004 13.0147 13.0278 13.2002 13.2076 13.7155 13.7279 k = 0.1824 0.3040 0.6374 ( 2312 PWs) bands (ev): -17.5384 -17.5384 -16.2264 -16.2222 -15.1086 -15.1027 -14.9357 -14.9352 -6.0524 -6.0484 -5.1357 -5.1286 -3.1820 -3.1736 -3.0685 -3.0622 -0.5801 -0.5748 -0.2930 -0.2850 0.6765 0.6834 1.2308 1.2341 1.6747 1.6825 2.2885 2.2979 2.6073 2.6169 2.7301 2.7405 12.8163 12.8208 13.0112 13.0234 13.2062 13.2139 13.6863 13.6986 k = 0.1892 0.2967 0.6474 ( 2314 PWs) bands (ev): -17.5263 -17.5262 -16.2405 -16.2363 -15.1095 -15.1035 -14.9375 -14.9371 -6.0121 -6.0081 -5.1825 -5.1754 -3.1721 -3.1638 -3.0685 -3.0621 -0.5693 -0.5635 -0.3073 -0.2994 0.6945 0.7015 1.2036 1.2067 1.6841 1.6914 2.3071 2.3166 2.6063 2.6158 2.7242 2.7345 12.8346 12.8400 13.0081 13.0192 13.2136 13.2217 13.6575 13.6695 k = 0.1959 0.2894 0.6573 ( 2312 PWs) bands (ev): -17.5149 -17.5149 -16.2537 -16.2495 -15.1101 -15.1041 -14.9392 -14.9388 -5.9712 -5.9672 -5.2292 -5.2221 -3.1626 -3.1544 -3.0692 -3.0626 -0.5576 -0.5514 -0.3216 -0.3138 0.7136 0.7208 1.1753 1.1782 1.6928 1.6996 2.3252 2.3346 2.6053 2.6147 2.7183 2.7285 12.8515 12.8578 13.0051 13.0151 13.2223 13.2308 13.6292 13.6409 k = 0.2027 0.2821 0.6673 ( 2312 PWs) bands (ev): -17.5045 -17.5044 -16.2659 -16.2617 -15.1107 -15.1046 -14.9407 -14.9404 -5.9298 -5.9258 -5.2757 -5.2686 -3.1536 -3.1455 -3.0704 -3.0638 -0.5453 -0.5386 -0.3359 -0.3282 0.7339 0.7413 1.1461 1.1489 1.7006 1.7070 2.3422 2.3514 2.6045 2.6137 2.7126 2.7224 12.8669 12.8742 13.0021 13.0109 13.2325 13.2414 13.6016 13.6130 k = 0.2095 0.2748 0.6773 ( 2308 PWs) bands (ev): -17.4951 -17.4951 -16.2768 -16.2726 -15.1110 -15.1050 -14.9421 -14.9419 -5.8880 -5.8840 -5.3220 -5.3148 -3.1452 -3.1372 -3.0723 -3.0656 -0.5324 -0.5252 -0.3501 -0.3427 0.7552 0.7629 1.1165 1.1191 1.7076 1.7135 2.3579 2.3668 2.6040 2.6133 2.7068 2.7163 12.8808 12.8894 12.9988 13.0063 13.2440 13.2532 13.5752 13.5860 k = 0.2162 0.2674 0.6872 ( 2306 PWs) bands (ev): -17.4869 -17.4869 -16.2863 -16.2821 -15.1113 -15.1053 -14.9433 -14.9431 -5.8459 -5.8420 -5.3677 -5.3604 -3.1372 -3.1294 -3.0746 -3.0679 -0.5192 -0.5113 -0.3644 -0.3571 0.7773 0.7855 1.0867 1.0893 1.7137 1.7191 2.3718 2.3802 2.6041 2.6135 2.7011 2.7101 12.8933 12.9033 12.9952 13.0011 13.2565 13.2661 13.5502 13.5603 k = 0.2230 0.2601 0.6972 ( 2308 PWs) bands (ev): -17.4800 -17.4800 -16.2944 -16.2901 -15.1115 -15.1055 -14.9444 -14.9442 -5.8041 -5.8003 -5.4127 -5.4052 -3.1298 -3.1223 -3.0773 -3.0707 -0.5058 -0.4972 -0.3785 -0.3715 0.8000 0.8089 1.0573 1.0599 1.7188 1.7238 2.3836 2.3915 2.6048 2.6145 2.6956 2.7040 12.9044 12.9161 12.9912 12.9954 13.2696 13.2794 13.5273 13.5364 k = 0.2297 0.2528 0.7071 ( 2308 PWs) bands (ev): -17.4745 -17.4745 -16.3007 -16.2965 -15.1117 -15.1056 -14.9452 -14.9450 -5.7630 -5.7595 -5.4561 -5.4484 -3.1231 -3.1160 -3.0803 -3.0738 -0.4926 -0.4829 -0.3924 -0.3855 0.8226 0.8326 1.0288 1.0318 1.7228 1.7275 2.3930 2.4004 2.6059 2.6159 2.6906 2.6985 12.9140 12.9278 12.9869 12.9891 13.2824 13.2923 13.5072 13.5151 k = 0.2365 0.2455 0.7171 ( 2304 PWs) bands (ev): -17.4705 -17.4705 -16.3054 -16.3012 -15.1118 -15.1057 -14.9458 -14.9457 -5.7242 -5.7213 -5.4966 -5.4883 -3.1173 -3.1109 -3.0830 -3.0771 -0.4803 -0.4689 -0.4058 -0.3987 0.8438 0.8555 1.0023 1.0066 1.7257 1.7302 2.4000 2.4067 2.6073 2.6176 2.6866 2.6938 12.9217 12.9384 12.9820 12.9833 13.2938 13.3035 13.4914 13.4973 k = 0.2432 0.2382 0.7271 ( 2304 PWs) bands (ev): -17.4681 -17.4681 -16.3082 -16.3040 -15.1118 -15.1057 -14.9461 -14.9461 -5.6921 -5.6900 -5.5297 -5.5206 -3.1129 -3.1076 -3.0848 -3.0800 -0.4703 -0.4562 -0.4179 -0.4094 0.8607 0.8748 0.9808 0.9873 1.7275 1.7318 2.4042 2.4105 2.6083 2.6189 2.6839 2.6906 12.9270 12.9470 12.9758 12.9801 13.3019 13.3113 13.4814 13.4847 k = 0.2500 0.2309 0.7370 ( 2304 PWs) bands (ev): -17.4673 -17.4672 -16.3091 -16.3049 -15.1118 -15.1058 -14.9462 -14.9462 -5.6779 -5.6765 -5.5443 -5.5344 -3.1111 -3.1065 -3.0854 -3.0813 -0.4661 -0.4494 -0.4244 -0.4140 0.8676 0.8834 0.9715 0.9796 1.7281 1.7323 2.4056 2.4118 2.6087 2.6195 2.6829 2.6895 12.9289 12.9509 12.9725 12.9789 13.3050 13.3142 13.4785 13.4796 k = 0.2500 0.2309 0.7370 ( 2304 PWs) bands (ev): -17.4673 -17.4672 -16.3091 -16.3049 -15.1118 -15.1058 -14.9462 -14.9462 -5.6779 -5.6765 -5.5443 -5.5344 -3.1111 -3.1065 -3.0854 -3.0813 -0.4661 -0.4494 -0.4244 -0.4140 0.8676 0.8834 0.9715 0.9796 1.7281 1.7323 2.4056 2.4118 2.6087 2.6195 2.6829 2.6895 12.9289 12.9509 12.9725 12.9789 13.3050 13.3142 13.4785 13.4796 k = 0.2576 0.2378 0.7275 ( 2308 PWs) bands (ev): -17.4676 -17.4676 -16.3087 -16.3045 -15.1118 -15.1057 -14.9462 -14.9461 -5.6847 -5.6830 -5.5376 -5.5281 -3.1114 -3.1064 -3.0848 -3.0804 -0.4683 -0.4533 -0.4208 -0.4117 0.8635 0.8783 0.9753 0.9825 1.7284 1.7327 2.4049 2.4111 2.6090 2.6196 2.6836 2.6903 12.9284 12.9493 12.9741 12.9794 13.3036 13.3129 13.4806 13.4830 k = 0.2652 0.2448 0.7180 ( 2308 PWs) bands (ev): -17.4686 -17.4686 -16.3076 -16.3034 -15.1117 -15.1057 -14.9460 -14.9459 -5.7014 -5.6991 -5.5213 -5.5125 -3.1118 -3.1061 -3.0831 -3.0781 -0.4751 -0.4629 -0.4119 -0.4048 0.8515 0.8645 0.9850 0.9904 1.7294 1.7337 2.4030 2.4093 2.6093 2.6196 2.6860 2.6929 12.9269 12.9452 12.9782 12.9809 13.2999 13.3094 13.4875 13.4916 k = 0.2727 0.2518 0.7085 ( 2308 PWs) bands (ev): -17.4702 -17.4701 -16.3059 -16.3017 -15.1117 -15.1057 -14.9458 -14.9456 -5.7229 -5.7200 -5.5004 -5.4921 -3.1117 -3.1055 -3.0803 -3.0748 -0.4854 -0.4752 -0.4005 -0.3943 0.8334 0.8446 0.9976 1.0015 1.7311 1.7355 2.4001 2.4065 2.6094 2.6192 2.6903 2.6973 12.9241 12.9396 12.9835 12.9847 13.2947 13.3043 13.4986 13.5039 k = 0.2803 0.2588 0.6989 ( 2309 PWs) bands (ev): -17.4721 -17.4721 -16.3036 -16.2995 -15.1116 -15.1056 -14.9455 -14.9453 -5.7459 -5.7427 -5.4779 -5.4700 -3.1111 -3.1044 -3.0768 -3.0710 -0.4979 -0.4891 -0.3875 -0.3816 0.8111 0.8209 1.0107 1.0138 1.7337 1.7381 2.3967 2.4031 2.6087 2.6180 2.6963 2.7036 12.9201 12.9331 12.9885 12.9919 13.2889 13.2985 13.5128 13.5190 k = 0.2879 0.2658 0.6894 ( 2308 PWs) bands (ev): -17.4744 -17.4744 -16.3010 -16.2969 -15.1115 -15.1056 -14.9453 -14.9449 -5.7689 -5.7656 -5.4551 -5.4476 -3.1098 -3.1028 -3.0726 -3.0666 -0.5117 -0.5040 -0.3733 -0.3675 0.7857 0.7945 1.0232 1.0259 1.7371 1.7416 2.3929 2.3994 2.6073 2.6159 2.7038 2.7113 12.9150 12.9259 12.9950 13.0006 13.2830 13.2927 13.5290 13.5359 k = 0.2955 0.2728 0.6799 ( 2308 PWs) bands (ev): -17.4769 -17.4769 -16.2981 -16.2941 -15.1114 -15.1055 -14.9450 -14.9446 -5.7912 -5.7878 -5.4329 -5.4256 -3.1078 -3.1005 -3.0678 -3.0618 -0.5265 -0.5195 -0.3582 -0.3524 0.7581 0.7661 1.0342 1.0369 1.7412 1.7458 2.3892 2.3957 2.6051 2.6131 2.7125 2.7201 12.9088 12.9183 13.0031 13.0104 13.2777 13.2874 13.5466 13.5540 k = 0.3030 0.2798 0.6704 ( 2309 PWs) bands (ev): -17.4795 -17.4795 -16.2951 -16.2911 -15.1113 -15.1055 -14.9448 -14.9442 -5.8121 -5.8087 -5.4115 -5.4045 -3.1053 -3.0978 -3.0626 -3.0566 -0.5416 -0.5353 -0.3425 -0.3367 0.7289 0.7363 1.0433 1.0462 1.7462 1.7507 2.3857 2.3922 2.6021 2.6097 2.7218 2.7296 12.9019 12.9102 13.0126 13.0213 13.2730 13.2828 13.5651 13.5728 k = 0.3106 0.2868 0.6608 ( 2307 PWs) bands (ev): -17.4822 -17.4822 -16.2920 -16.2880 -15.1111 -15.1055 -14.9447 -14.9440 -5.8314 -5.8279 -5.3913 -5.3844 -3.1022 -3.0946 -3.0570 -3.0511 -0.5570 -0.5511 -0.3264 -0.3206 0.6986 0.7055 1.0502 1.0534 1.7519 1.7564 2.3826 2.3891 2.5986 2.6059 2.7315 2.7393 12.8944 12.9020 13.0232 13.0329 13.2692 13.2791 13.5842 13.5921 k = 0.3182 0.2938 0.6513 ( 2305 PWs) bands (ev): -17.4849 -17.4848 -16.2889 -16.2850 -15.1110 -15.1055 -14.9447 -14.9439 -5.8487 -5.8453 -5.3723 -5.3656 -3.0987 -3.0910 -3.0510 -3.0452 -0.5722 -0.5667 -0.3102 -0.3045 0.6676 0.6741 1.0547 1.0581 1.7583 1.7626 2.3801 2.3865 2.5946 2.6016 2.7411 2.7490 12.8866 12.8936 13.0347 13.0451 13.2662 13.2762 13.6037 13.6118 k = 0.3258 0.3008 0.6418 ( 2302 PWs) bands (ev): -17.4874 -17.4874 -16.2858 -16.2820 -15.1109 -15.1055 -14.9449 -14.9439 -5.8639 -5.8605 -5.3548 -5.3482 -3.0949 -3.0871 -3.0447 -3.0391 -0.5871 -0.5819 -0.2942 -0.2886 0.6365 0.6426 1.0566 1.0604 1.7652 1.7694 2.3783 2.3846 2.5903 2.5971 2.7504 2.7583 12.8786 12.8852 13.0467 13.0576 13.2639 13.2741 13.6235 13.6318 k = 0.3333 0.3078 0.6323 ( 2305 PWs) bands (ev): -17.4898 -17.4897 -16.2830 -16.2792 -15.1108 -15.1055 -14.9452 -14.9441 -5.8767 -5.8734 -5.3387 -5.3322 -3.0909 -3.0831 -3.0381 -3.0327 -0.6014 -0.5965 -0.2786 -0.2733 0.6057 0.6114 1.0560 1.0600 1.7725 1.7766 2.3772 2.3835 2.5856 2.5924 2.7590 2.7669 12.8706 12.8770 13.0590 13.0701 13.2621 13.2725 13.6436 13.6520 k = 0.3409 0.3148 0.6228 ( 2307 PWs) bands (ev): -17.4919 -17.4919 -16.2803 -16.2766 -15.1107 -15.1055 -14.9458 -14.9445 -5.8870 -5.8838 -5.3241 -5.3178 -3.0868 -3.0790 -3.0313 -3.0262 -0.6150 -0.6103 -0.2639 -0.2588 0.5756 0.5809 1.0528 1.0571 1.7802 1.7841 2.3768 2.3830 2.5808 2.5876 2.7668 2.7747 12.8627 12.8689 13.0711 13.0823 13.2607 13.2713 13.6641 13.6726 k = 0.3485 0.3218 0.6132 ( 2301 PWs) bands (ev): -17.4938 -17.4938 -16.2779 -16.2743 -15.1106 -15.1055 -14.9467 -14.9451 -5.8946 -5.8916 -5.3112 -5.3050 -3.0826 -3.0749 -3.0244 -3.0195 -0.6276 -0.6230 -0.2504 -0.2456 0.5467 0.5517 1.0470 1.0516 1.7880 1.7917 2.3772 2.3833 2.5758 2.5827 2.7736 2.7816 12.8551 12.8610 13.0828 13.0938 13.2595 13.2701 13.6851 13.6936 k = 0.3561 0.3288 0.6037 ( 2301 PWs) bands (ev): -17.4954 -17.4953 -16.2758 -16.2722 -15.1105 -15.1056 -14.9478 -14.9461 -5.8995 -5.8966 -5.2998 -5.2938 -3.0786 -3.0708 -3.0175 -3.0128 -0.6391 -0.6347 -0.2384 -0.2341 0.5197 0.5243 1.0389 1.0437 1.7958 1.7993 2.3782 2.3842 2.5707 2.5777 2.7794 2.7874 12.8476 12.8535 13.0937 13.1042 13.2584 13.2688 13.7066 13.7152 k = 0.3636 0.3358 0.5942 ( 2300 PWs) bands (ev): -17.4966 -17.4966 -16.2740 -16.2705 -15.1103 -15.1056 -14.9493 -14.9473 -5.9016 -5.8988 -5.2902 -5.2843 -3.0746 -3.0670 -3.0106 -3.0062 -0.6493 -0.6449 -0.2286 -0.2247 0.4950 0.4993 1.0285 1.0335 1.8034 1.8067 2.3798 2.3857 2.5655 2.5727 2.7839 2.7920 12.8405 12.8463 13.1034 13.1130 13.2574 13.2674 13.7288 13.7373 k = 0.3712 0.3428 0.5847 ( 2301 PWs) bands (ev): -17.4975 -17.4975 -16.2725 -16.2691 -15.1102 -15.1056 -14.9510 -14.9488 -5.9008 -5.8980 -5.2822 -5.2764 -3.0709 -3.0634 -3.0038 -2.9997 -0.6581 -0.6538 -0.2213 -0.2179 0.4732 0.4772 1.0160 1.0212 1.8107 1.8138 2.3818 2.3876 2.5603 2.5677 2.7873 2.7955 12.8337 12.8395 13.1113 13.1196 13.2568 13.2661 13.7515 13.7599 k = 0.3788 0.3498 0.5751 ( 2301 PWs) bands (ev): -17.4981 -17.4981 -16.2714 -16.2680 -15.1100 -15.1056 -14.9530 -14.9506 -5.8971 -5.8944 -5.2759 -5.2703 -3.0675 -3.0602 -2.9973 -2.9935 -0.6653 -0.6610 -0.2170 -0.2141 0.4549 0.4586 1.0015 1.0070 1.8175 1.8205 2.3842 2.3899 2.5551 2.5627 2.7894 2.7977 12.8271 12.8330 13.1167 13.1231 13.2570 13.2653 13.7747 13.7830 k = 0.3864 0.3568 0.5656 ( 2299 PWs) bands (ev): -17.4983 -17.4982 -16.2706 -16.2672 -15.1099 -15.1056 -14.9554 -14.9527 -5.8903 -5.8877 -5.2714 -5.2658 -3.0645 -3.0573 -2.9911 -2.9875 -0.6709 -0.6665 -0.2161 -0.2138 0.4404 0.4441 0.9854 0.9910 1.8237 1.8267 2.3866 2.3922 2.5500 2.5579 2.7903 2.7987 12.8209 12.8268 13.1187 13.1230 13.2587 13.2659 13.7980 13.8062 k = 0.3939 0.3638 0.5561 ( 2300 PWs) bands (ev): -17.4981 -17.4981 -16.2702 -16.2668 -15.1097 -15.1056 -14.9580 -14.9551 -5.8806 -5.8781 -5.2686 -5.2631 -3.0619 -3.0548 -2.9853 -2.9820 -0.6747 -0.6703 -0.2190 -0.2170 0.4302 0.4339 0.9677 0.9734 1.8292 1.8322 2.3888 2.3943 2.5451 2.5532 2.7900 2.7986 12.8149 12.8209 13.1161 13.1188 13.2624 13.2688 13.8212 13.8292 k = 0.4015 0.3708 0.5466 ( 2304 PWs) bands (ev): -17.4976 -17.4976 -16.2701 -16.2668 -15.1094 -15.1055 -14.9609 -14.9578 -5.8680 -5.8655 -5.2675 -5.2621 -3.0597 -3.0528 -2.9800 -2.9769 -0.6767 -0.6721 -0.2257 -0.2239 0.4244 0.4283 0.9486 0.9545 1.8339 1.8369 2.3904 2.3958 2.5407 2.5489 2.7888 2.7975 12.8091 12.8152 13.1080 13.1111 13.2682 13.2745 13.8436 13.8515 k = 0.4091 0.3778 0.5371 ( 2306 PWs) bands (ev): -17.4968 -17.4968 -16.2703 -16.2670 -15.1092 -15.1055 -14.9641 -14.9608 -5.8524 -5.8499 -5.2682 -5.2628 -3.0580 -3.0513 -2.9754 -2.9724 -0.6768 -0.6721 -0.2362 -0.2341 0.4229 0.4272 0.9284 0.9345 1.8377 1.8407 2.3909 2.3964 2.5368 2.5452 2.7866 2.7954 12.8035 12.8097 13.0951 13.0997 13.2762 13.2829 13.8649 13.8726 k = 0.4167 0.3848 0.5275 ( 2308 PWs) bands (ev): -17.4957 -17.4957 -16.2708 -16.2675 -15.1089 -15.1055 -14.9675 -14.9640 -5.8339 -5.8315 -5.2706 -5.2653 -3.0568 -3.0504 -2.9714 -2.9685 -0.6750 -0.6700 -0.2501 -0.2475 0.4256 0.4303 0.9073 0.9134 1.8405 1.8437 2.3898 2.3954 2.5338 2.5424 2.7837 2.7927 12.7979 12.8043 13.0786 13.0847 13.2863 13.2935 13.8846 13.8921 k = 0.4242 0.3917 0.5180 ( 2302 PWs) bands (ev): -17.4944 -17.4944 -16.2715 -16.2682 -15.1087 -15.1054 -14.9712 -14.9673 -5.8126 -5.8102 -5.2747 -5.2693 -3.0562 -3.0500 -2.9681 -2.9653 -0.6714 -0.6661 -0.2668 -0.2636 0.4320 0.4372 0.8854 0.8915 1.8423 1.8456 2.3865 2.3923 2.5322 2.5408 2.7803 2.7894 12.7924 12.7989 13.0595 13.0667 13.2981 13.3059 13.9020 13.9094 k = 0.4318 0.3987 0.5085 ( 2300 PWs) bands (ev): -17.4929 -17.4928 -16.2725 -16.2691 -15.1084 -15.1053 -14.9749 -14.9709 -5.7887 -5.7862 -5.2804 -5.2750 -3.0562 -3.0501 -2.9657 -2.9628 -0.6658 -0.6602 -0.2858 -0.2819 0.4418 0.4473 0.8628 0.8690 1.8430 1.8465 2.3806 2.3865 2.5320 2.5406 2.7765 2.7858 12.7869 12.7935 13.0385 13.0466 13.3113 13.3195 13.9167 13.9241 k = 0.4394 0.4057 0.4990 ( 2300 PWs) bands (ev): -17.4913 -17.4912 -16.2735 -16.2702 -15.1080 -15.1053 -14.9788 -14.9746 -5.7622 -5.7598 -5.2877 -5.2823 -3.0568 -3.0509 -2.9640 -2.9611 -0.6585 -0.6524 -0.3062 -0.3018 0.4542 0.4602 0.8399 0.8461 1.8427 1.8463 2.3715 2.3777 2.5336 2.5421 2.7726 2.7820 12.7812 12.7879 13.0162 13.0249 13.3255 13.3339 13.9285 13.9358 k = 0.4470 0.4127 0.4894 ( 2300 PWs) bands (ev): -17.4896 -17.4895 -16.2747 -16.2712 -15.1077 -15.1052 -14.9828 -14.9784 -5.7334 -5.7309 -5.2964 -5.2909 -3.0579 -3.0522 -2.9632 -2.9602 -0.6496 -0.6430 -0.3276 -0.3224 0.4689 0.4752 0.8168 0.8230 1.8413 1.8449 2.3593 2.3657 2.5369 2.5453 2.7687 2.7782 12.7753 12.7820 12.9934 13.0026 13.3404 13.3490 13.9370 13.9442 k = 0.4545 0.4197 0.4799 ( 2298 PWs) bands (ev): -17.4879 -17.4879 -16.2758 -16.2723 -15.1074 -15.1052 -14.9867 -14.9822 -5.7025 -5.7001 -5.3065 -5.3008 -3.0597 -3.0542 -2.9632 -2.9601 -0.6393 -0.6320 -0.3491 -0.3432 0.4852 0.4918 0.7938 0.7999 1.8386 1.8424 2.3438 2.3504 2.5418 2.5500 2.7650 2.7746 12.7690 12.7757 12.9707 12.9801 13.3557 13.3643 13.9422 13.9494 k = 0.4621 0.4267 0.4704 ( 2298 PWs) bands (ev): -17.4864 -17.4863 -16.2768 -16.2732 -15.1070 -15.1051 -14.9907 -14.9860 -5.6699 -5.6676 -5.3175 -5.3117 -3.0621 -3.0567 -2.9642 -2.9609 -0.6280 -0.6199 -0.3701 -0.3633 0.5025 0.5094 0.7712 0.7772 1.8348 1.8386 2.3254 2.3320 2.5480 2.5559 2.7617 2.7714 12.7623 12.7690 12.9484 12.9580 13.3711 13.3797 13.9441 13.9512 k = 0.4697 0.4337 0.4609 ( 2297 PWs) bands (ev): -17.4850 -17.4849 -16.2775 -16.2739 -15.1066 -15.1051 -14.9945 -14.9897 -5.6363 -5.6341 -5.3291 -5.3230 -3.0651 -3.0598 -2.9660 -2.9625 -0.6162 -0.6070 -0.3897 -0.3818 0.5202 0.5274 0.7493 0.7553 1.8296 1.8336 2.3042 2.3108 2.5552 2.5630 2.7588 2.7686 12.7551 12.7617 12.9272 12.9369 13.3863 13.3949 13.9427 13.9497 k = 0.4773 0.4407 0.4514 ( 2300 PWs) bands (ev): -17.4840 -17.4839 -16.2780 -16.2743 -15.1063 -15.1051 -14.9983 -14.9934 -5.6027 -5.6006 -5.3403 -5.3338 -3.0687 -3.0636 -2.9686 -2.9650 -0.6047 -0.5942 -0.4068 -0.3977 0.5372 0.5448 0.7290 0.7348 1.8231 1.8271 2.2806 2.2872 2.5633 2.5709 2.7564 2.7662 12.7474 12.7538 12.9073 12.9171 13.4011 13.4096 13.9382 13.9452 k = 0.4848 0.4477 0.4418 ( 2294 PWs) bands (ev): -17.4834 -17.4833 -16.2780 -16.2742 -15.1059 -15.1050 -15.0019 -14.9968 -5.5708 -5.5690 -5.3494 -5.3425 -3.0729 -3.0678 -2.9722 -2.9684 -0.5946 -0.5826 -0.4201 -0.4095 0.5522 0.5601 0.7115 0.7172 1.8151 1.8191 2.2549 2.2614 2.5719 2.5794 2.7545 2.7643 12.7390 12.7452 12.8891 12.8990 13.4152 13.4236 13.9309 13.9379 k = 0.4924 0.4547 0.4323 ( 2292 PWs) bands (ev): -17.4833 -17.4832 -16.2774 -16.2736 -15.1055 -15.1050 -15.0053 -15.0001 -5.5441 -5.5424 -5.3533 -5.3459 -3.0776 -3.0726 -2.9766 -2.9727 -0.5873 -0.5740 -0.4275 -0.4158 0.5629 0.5713 0.6988 0.7043 1.8055 1.8095 2.2275 2.2339 2.5810 2.5884 2.7532 2.7630 12.7301 12.7362 12.8728 12.8826 13.4283 13.4366 13.9210 13.9281 k = 0.5000 0.4617 0.4228 ( 2290 PWs) bands (ev): -17.4838 -17.4837 -16.2761 -16.2722 -15.1052 -15.1049 -15.0084 -15.0032 -5.5272 -5.5257 -5.3473 -5.3396 -3.0830 -3.0780 -2.9819 -2.9779 -0.5838 -0.5700 -0.4274 -0.4151 0.5666 0.5751 0.6937 0.6992 1.7939 1.7980 2.1990 2.2053 2.5904 2.5977 2.7523 2.7622 12.7208 12.7268 12.8583 12.8682 13.4401 13.4483 13.9088 13.9159 k = 0.5000 0.4617 0.4228 ( 2290 PWs) bands (ev): -17.4838 -17.4837 -16.2761 -16.2722 -15.1052 -15.1049 -15.0084 -15.0032 -5.5272 -5.5257 -5.3473 -5.3396 -3.0830 -3.0780 -2.9819 -2.9779 -0.5838 -0.5700 -0.4274 -0.4151 0.5666 0.5751 0.6937 0.6992 1.7939 1.7980 2.1990 2.2053 2.5904 2.5977 2.7523 2.7622 12.7208 12.7268 12.8583 12.8682 13.4401 13.4483 13.9088 13.9159 k = 0.5000 0.4617 0.4087 ( 2290 PWs) bands (ev): -17.4851 -17.4850 -16.2736 -16.2697 -15.1049 -15.1046 -15.0129 -15.0076 -5.5120 -5.5105 -5.3289 -5.3209 -3.0910 -3.0861 -2.9903 -2.9861 -0.5812 -0.5673 -0.4206 -0.4082 0.5658 0.5743 0.6928 0.6982 1.7743 1.7785 2.1554 2.1615 2.6045 2.6116 2.7519 2.7617 12.7073 12.7132 12.8387 12.8486 13.4559 13.4639 13.8886 13.8957 k = 0.5000 0.4617 0.3946 ( 2290 PWs) bands (ev): -17.4865 -17.4864 -16.2710 -16.2671 -15.1045 -15.1042 -15.0173 -15.0120 -5.4971 -5.4955 -5.3105 -5.3023 -3.0985 -3.0936 -2.9986 -2.9943 -0.5776 -0.5637 -0.4125 -0.4001 0.5649 0.5733 0.6916 0.6969 1.7526 1.7568 2.1105 2.1165 2.6188 2.6258 2.7524 2.7622 12.6948 12.7005 12.8201 12.8300 13.4704 13.4782 13.8674 13.8744 k = 0.5000 0.4617 0.3805 ( 2290 PWs) bands (ev): -17.4879 -17.4878 -16.2685 -16.2645 -15.1041 -15.1037 -15.0217 -15.0164 -5.4826 -5.4810 -5.2922 -5.2839 -3.1054 -3.1005 -3.0068 -3.0023 -0.5730 -0.5591 -0.4032 -0.3907 0.5640 0.5723 0.6900 0.6952 1.7286 1.7330 2.0644 2.0703 2.6332 2.6401 2.7538 2.7636 12.6834 12.6890 12.8026 12.8125 13.4833 13.4910 13.8451 13.8522 k = 0.5000 0.4617 0.3664 ( 2290 PWs) bands (ev): -17.4893 -17.4892 -16.2660 -16.2620 -15.1035 -15.1032 -15.0261 -15.0207 -5.4686 -5.4669 -5.2741 -5.2657 -3.1115 -3.1067 -3.0148 -3.0102 -0.5674 -0.5534 -0.3925 -0.3801 0.5630 0.5712 0.6881 0.6932 1.7025 1.7069 2.0172 2.0230 2.6477 2.6544 2.7562 2.7658 12.6732 12.6788 12.7863 12.7962 13.4945 13.5020 13.8220 13.8290 k = 0.5000 0.4617 0.3523 ( 2294 PWs) bands (ev): -17.4908 -17.4907 -16.2636 -16.2595 -15.1030 -15.1026 -15.0303 -15.0250 -5.4551 -5.4534 -5.2563 -5.2478 -3.1170 -3.1122 -3.0225 -3.0178 -0.5606 -0.5466 -0.3804 -0.3680 0.5619 0.5700 0.6860 0.6910 1.6743 1.6788 1.9690 1.9748 2.6621 2.6687 2.7594 2.7689 12.6643 12.6698 12.7714 12.7813 13.5036 13.5110 13.7980 13.8050 k = 0.5000 0.4617 0.3382 ( 2298 PWs) bands (ev): -17.4923 -17.4922 -16.2611 -16.2571 -15.1023 -15.1019 -15.0345 -15.0292 -5.4422 -5.4405 -5.2389 -5.2304 -3.1217 -3.1169 -3.0300 -3.0252 -0.5527 -0.5388 -0.3670 -0.3546 0.5607 0.5687 0.6836 0.6884 1.6441 1.6487 1.9199 1.9257 2.6764 2.6829 2.7634 2.7728 12.6567 12.6622 12.7579 12.7677 13.5106 13.5179 13.7734 13.7802 k = 0.5000 0.4617 0.3241 ( 2292 PWs) bands (ev): -17.4938 -17.4937 -16.2587 -16.2547 -15.1017 -15.1012 -15.0386 -15.0333 -5.4300 -5.4283 -5.2219 -5.2133 -3.1256 -3.1209 -3.0371 -3.0322 -0.5437 -0.5298 -0.3521 -0.3397 0.5595 0.5674 0.6809 0.6855 1.6119 1.6166 1.8701 1.8759 2.6907 2.6970 2.7682 2.7774 12.6505 12.6560 12.7458 12.7555 13.5152 13.5224 13.7482 13.7549 k = 0.5000 0.4617 0.3101 ( 2292 PWs) bands (ev): -17.4953 -17.4952 -16.2564 -16.2524 -15.1009 -15.1005 -15.0425 -15.0373 -5.4185 -5.4168 -5.2054 -5.1968 -3.1287 -3.1242 -3.0438 -3.0389 -0.5335 -0.5197 -0.3357 -0.3234 0.5583 0.5660 0.6779 0.6824 1.5779 1.5826 1.8197 1.8256 2.7048 2.7109 2.7737 2.7826 12.6457 12.6512 12.7353 12.7449 13.5174 13.5246 13.7225 13.7290 k = 0.5000 0.4617 0.2960 ( 2292 PWs) bands (ev): -17.4967 -17.4966 -16.2541 -16.2501 -15.1002 -15.0997 -15.0464 -15.0412 -5.4077 -5.4060 -5.1894 -5.1809 -3.1310 -3.1266 -3.0501 -3.0452 -0.5222 -0.5084 -0.3178 -0.3055 0.5570 0.5645 0.6747 0.6791 1.5420 1.5468 1.7689 1.7748 2.7187 2.7246 2.7797 2.7884 12.6424 12.6480 12.7263 12.7358 13.5171 13.5242 13.6964 13.7028 k = 0.5000 0.4617 0.2819 ( 2286 PWs) bands (ev): -17.4982 -17.4981 -16.2519 -16.2480 -15.0993 -15.0989 -15.0500 -15.0450 -5.3978 -5.3961 -5.1741 -5.1657 -3.1325 -3.1283 -3.0560 -3.0511 -0.5098 -0.4961 -0.2983 -0.2861 0.5556 0.5630 0.6713 0.6755 1.5044 1.5094 1.7179 1.7238 2.7323 2.7381 2.7862 2.7946 12.6406 12.6462 12.7189 12.7283 13.5142 13.5214 13.6701 13.6762 k = 0.5000 0.4617 0.2678 ( 2286 PWs) bands (ev): -17.4997 -17.4996 -16.2497 -16.2459 -15.0985 -15.0980 -15.0536 -15.0487 -5.3886 -5.3869 -5.1594 -5.1511 -3.1333 -3.1293 -3.0614 -3.0566 -0.4963 -0.4827 -0.2773 -0.2652 0.5543 0.5615 0.6676 0.6716 1.4652 1.4703 1.6670 1.6728 2.7457 2.7512 2.7931 2.8011 12.6403 12.6459 12.7131 12.7224 13.5088 13.5161 13.6438 13.6496 k = 0.5000 0.4617 0.2537 ( 2288 PWs) bands (ev): -17.5011 -17.5010 -16.2476 -16.2439 -15.0976 -15.0971 -15.0569 -15.0522 -5.3802 -5.3785 -5.1454 -5.1372 -3.1334 -3.1296 -3.0663 -3.0616 -0.4818 -0.4683 -0.2547 -0.2427 0.5529 0.5599 0.6637 0.6675 1.4245 1.4296 1.6162 1.6221 2.7587 2.7640 2.8002 2.8080 12.6414 12.6471 12.7089 12.7180 13.5009 13.5084 13.6175 13.6229 k = 0.5000 0.4617 0.2396 ( 2296 PWs) bands (ev): -17.5025 -17.5025 -16.2457 -16.2420 -15.0968 -15.0962 -15.0601 -15.0556 -5.3726 -5.3710 -5.1321 -5.1241 -3.1329 -3.1292 -3.0708 -3.0662 -0.4662 -0.4529 -0.2306 -0.2186 0.5516 0.5584 0.6595 0.6632 1.3822 1.3874 1.5661 1.5719 2.7712 2.7764 2.8075 2.8149 12.6440 12.6497 12.7063 12.7152 13.4905 13.4983 13.5914 13.5964 k = 0.5000 0.4617 0.2255 ( 2292 PWs) bands (ev): -17.5039 -17.5038 -16.2438 -16.2403 -15.0959 -15.0953 -15.0631 -15.0588 -5.3657 -5.3642 -5.1195 -5.1118 -3.1317 -3.1283 -3.0748 -3.0704 -0.4498 -0.4367 -0.2048 -0.1930 0.5503 0.5569 0.6551 0.6586 1.3385 1.3437 1.5168 1.5225 2.7834 2.7883 2.8150 2.8220 12.6479 12.6538 12.7052 12.7138 13.4779 13.4860 13.5658 13.5702 k = 0.5000 0.4617 0.2114 ( 2288 PWs) bands (ev): -17.5053 -17.5052 -16.2419 -16.2386 -15.0950 -15.0944 -15.0659 -15.0618 -5.3596 -5.3581 -5.1077 -5.1002 -3.1300 -3.1269 -3.0782 -3.0741 -0.4325 -0.4197 -0.1776 -0.1659 0.5490 0.5554 0.6505 0.6538 1.2933 1.2986 1.4687 1.4743 2.7951 2.7997 2.8224 2.8290 12.6532 12.6591 12.7057 12.7140 13.4631 13.4716 13.5407 13.5446 k = 0.5000 0.4617 0.1973 ( 2288 PWs) bands (ev): -17.5066 -17.5065 -16.2402 -16.2370 -15.0942 -15.0935 -15.0685 -15.0647 -5.3542 -5.3528 -5.0967 -5.0895 -3.1279 -3.1251 -3.0813 -3.0774 -0.4146 -0.4020 -0.1488 -0.1372 0.5479 0.5540 0.6457 0.6487 1.2469 1.2521 1.4221 1.4275 2.8063 2.8106 2.8298 2.8359 12.6597 12.6657 12.7075 12.7155 13.4463 13.4552 13.5162 13.5196 k = 0.5000 0.4617 0.1832 ( 2292 PWs) bands (ev): -17.5078 -17.5077 -16.2386 -16.2356 -15.0934 -15.0927 -15.0709 -15.0674 -5.3495 -5.3482 -5.0865 -5.0797 -3.1254 -3.1229 -3.0839 -3.0803 -0.3961 -0.3838 -0.1185 -0.1070 0.5469 0.5528 0.6406 0.6433 1.1993 1.2044 1.3773 1.3825 2.8169 2.8209 2.8370 2.8427 12.6674 12.6735 12.7106 12.7182 13.4279 13.4371 13.4925 13.4953 k = 0.5000 0.4617 0.1691 ( 2292 PWs) bands (ev): -17.5090 -17.5089 -16.2371 -16.2342 -15.0926 -15.0918 -15.0731 -15.0699 -5.3454 -5.3441 -5.0770 -5.0706 -3.1227 -3.1205 -3.0860 -3.0828 -0.3772 -0.3652 -0.0868 -0.0755 0.5460 0.5516 0.6352 0.6376 1.1507 1.1556 1.3347 1.3395 2.8270 2.8306 2.8440 2.8492 12.6761 12.6823 12.7150 12.7222 13.4082 13.4176 13.4696 13.4719 k = 0.5000 0.4617 0.1550 ( 2290 PWs) bands (ev): -17.5101 -17.5100 -16.2357 -16.2330 -15.0918 -15.0911 -15.0751 -15.0722 -5.3419 -5.3407 -5.0684 -5.0624 -3.1197 -3.1180 -3.0878 -3.0850 -0.3580 -0.3466 -0.0538 -0.0426 0.5454 0.5507 0.6295 0.6316 1.1013 1.1060 1.2943 1.2988 2.8363 2.8397 2.8507 2.8555 12.6857 12.6919 12.7205 12.7272 13.3877 13.3971 13.4474 13.4494 k = 0.5000 0.4617 0.1409 ( 2290 PWs) bands (ev): -17.5111 -17.5110 -16.2344 -16.2319 -15.0912 -15.0903 -15.0769 -15.0743 -5.3389 -5.3378 -5.0605 -5.0550 -3.1167 -3.1154 -3.0891 -3.0867 -0.3389 -0.3280 -0.0195 -0.0085 0.5450 0.5500 0.6236 0.6252 1.0514 1.0559 1.2566 1.2607 2.8450 2.8480 2.8571 2.8613 12.6959 12.7023 12.7269 12.7331 13.3670 13.3763 13.4260 13.4277 k = 0.5000 0.4617 0.1268 ( 2294 PWs) bands (ev): -17.5120 -17.5120 -16.2332 -16.2310 -15.0906 -15.0897 -15.0784 -15.0762 -5.3364 -5.3354 -5.0534 -5.0483 -3.1137 -3.1129 -3.0901 -3.0882 -0.3201 -0.3097 0.0158 0.0266 0.5449 0.5495 0.6174 0.6184 1.0014 1.0056 1.2216 1.2254 2.8530 2.8557 2.8631 2.8668 12.7066 12.7131 12.7341 12.7396 13.3464 13.3554 13.4053 13.4068 k = 0.5000 0.4617 0.1127 ( 2294 PWs) bands (ev): -17.5129 -17.5129 -16.2321 -16.2301 -15.0901 -15.0891 -15.0797 -15.0779 -5.3343 -5.3334 -5.0471 -5.0425 -3.1108 -3.1104 -3.0908 -3.0893 -0.3017 -0.2921 0.0519 0.0626 0.5452 0.5494 0.6109 0.6113 0.9517 0.9557 1.1896 1.1931 2.8602 2.8625 2.8686 2.8718 12.7176 12.7241 12.7419 12.7467 13.3264 13.3349 13.3856 13.3869 k = 0.5000 0.4617 0.0987 ( 2298 PWs) bands (ev): -17.5137 -17.5136 -16.2311 -16.2293 -15.0897 -15.0886 -15.0808 -15.0794 -5.3325 -5.3317 -5.0415 -5.0375 -3.1084 -3.1080 -3.0912 -3.0900 -0.2843 -0.2754 0.0885 0.0990 0.5459 0.5496 0.6037 0.6043 0.9028 0.9065 1.1608 1.1639 2.8666 2.8686 2.8737 2.8764 12.7285 12.7349 12.7500 12.7541 13.3075 13.3154 13.3670 13.3682 k = 0.5000 0.4617 0.0846 ( 2302 PWs) bands (ev): -17.5144 -17.5143 -16.2303 -16.2287 -15.0895 -15.0883 -15.0816 -15.0806 -5.3311 -5.3304 -5.0367 -5.0332 -3.1065 -3.1058 -3.0914 -3.0904 -0.2680 -0.2601 0.1253 0.1354 0.5471 0.5502 0.5959 0.5974 0.8552 0.8587 1.1354 1.1382 2.8721 2.8739 2.8782 2.8804 12.7391 12.7453 12.7582 12.7615 13.2900 13.2972 13.3498 13.3509 k = 0.5000 0.4617 0.0705 ( 2300 PWs) bands (ev): -17.5149 -17.5149 -16.2295 -16.2282 -15.0893 -15.0881 -15.0821 -15.0815 -5.3300 -5.3294 -5.0326 -5.0296 -3.1049 -3.1039 -3.0914 -3.0904 -0.2532 -0.2464 0.1615 0.1711 0.5488 0.5512 0.5879 0.5904 0.8100 0.8132 1.1136 1.1160 2.8768 2.8784 2.8822 2.8839 12.7489 12.7548 12.7663 12.7688 13.2743 13.2807 13.3343 13.3353 k = 0.5000 0.4617 0.0564 ( 2296 PWs) bands (ev): -17.5154 -17.5154 -16.2289 -16.2278 -15.0892 -15.0881 -15.0825 -15.0822 -5.3291 -5.3286 -5.0292 -5.0268 -3.1037 -3.1025 -3.0912 -3.0901 -0.2404 -0.2347 0.1962 0.2051 0.5511 0.5527 0.5799 0.5834 0.7680 0.7712 1.0956 1.0976 2.8807 2.8820 2.8855 2.8869 12.7576 12.7629 12.7737 12.7755 13.2610 13.2663 13.3209 13.3217 k = 0.5000 0.4617 0.0423 ( 2300 PWs) bands (ev): -17.5158 -17.5158 -16.2283 -16.2276 -15.0891 -15.0882 -15.0828 -15.0826 -5.3284 -5.3281 -5.0265 -5.0247 -3.1027 -3.1016 -3.0908 -3.0898 -0.2298 -0.2254 0.2279 0.2357 0.5534 0.5548 0.5724 0.5767 0.7311 0.7341 1.0815 1.0831 2.8836 2.8847 2.8882 2.8892 12.7650 12.7693 12.7802 12.7814 13.2502 13.2544 13.3100 13.3107 k = 0.5000 0.4617 0.0282 ( 2300 PWs) bands (ev): -17.5161 -17.5160 -16.2279 -16.2274 -15.0891 -15.0884 -15.0829 -15.0829 -5.3280 -5.3277 -5.0245 -5.0233 -3.1020 -3.1011 -3.0904 -3.0896 -0.2217 -0.2188 0.2546 0.2606 0.5552 0.5574 0.5662 0.5707 0.7015 0.7042 1.0715 1.0726 2.8858 2.8866 2.8902 2.8909 12.7707 12.7737 12.7852 12.7859 13.2425 13.2454 13.3020 13.3025 k = 0.5000 0.4617 0.0141 ( 2284 PWs) bands (ev): -17.5162 -17.5162 -16.2276 -16.2273 -15.0890 -15.0886 -15.0830 -15.0830 -5.3277 -5.3275 -5.0232 -5.0226 -3.1015 -3.1010 -3.0899 -3.0895 -0.2165 -0.2150 0.2735 0.2768 0.5562 0.5587 0.5631 0.5664 0.6823 0.6841 1.0655 1.0661 2.8872 2.8876 2.8916 2.8919 12.7746 12.7761 12.7886 12.7889 13.2380 13.2395 13.2971 13.2974 k = 0.5000 0.4617 0.0000 ( 2286 PWs) bands (ev): -17.5163 -17.5163 -16.2274 -16.2274 -15.0888 -15.0888 -15.0830 -15.0830 -5.3275 -5.3275 -5.0225 -5.0225 -3.1011 -3.1011 -3.0896 -3.0896 -0.2142 -0.2142 0.2814 0.2814 0.5572 0.5572 0.5641 0.5641 0.6762 0.6762 1.0637 1.0637 2.8878 2.8878 2.8921 2.8921 12.7764 12.7764 12.7898 12.7898 13.2370 13.2370 13.2955 13.2955 k = 0.0000 0.0000 0.7370 ( 2320 PWs) bands (ev): -17.4684 -17.4684 -16.3099 -16.3099 -15.1039 -15.1039 -14.9428 -14.9428 -5.7579 -5.7579 -5.6068 -5.6068 -2.9197 -2.9197 -2.8682 -2.8682 -0.5355 -0.5355 -0.4192 -0.4192 0.5837 0.5837 0.6666 0.6666 1.8904 1.8904 2.3929 2.3929 2.7801 2.7801 2.7967 2.7967 12.9353 12.9353 13.2192 13.2192 13.2572 13.2572 14.0482 14.0482 k = 0.0104 0.0096 0.7370 ( 2316 PWs) bands (ev): -17.4684 -17.4684 -16.3100 -16.3097 -15.1042 -15.1038 -14.9428 -14.9428 -5.7576 -5.7575 -5.6068 -5.6062 -2.9205 -2.9202 -2.8695 -2.8690 -0.5354 -0.5344 -0.4201 -0.4188 0.5843 0.5855 0.6673 0.6680 1.8898 1.8900 2.3929 2.3930 2.7793 2.7797 2.7960 2.7964 12.9352 12.9354 13.2113 13.2198 13.2560 13.2636 14.0430 14.0437 k = 0.0208 0.0192 0.7370 ( 2316 PWs) bands (ev): -17.4684 -17.4684 -16.3101 -16.3095 -15.1044 -15.1036 -14.9428 -14.9428 -5.7567 -5.7565 -5.6063 -5.6051 -2.9228 -2.9222 -2.8729 -2.8720 -0.5341 -0.5322 -0.4213 -0.4187 0.5874 0.5899 0.6702 0.6714 1.8883 1.8888 2.3929 2.3932 2.7774 2.7781 2.7944 2.7952 12.9351 12.9357 13.1997 13.2125 13.2606 13.2716 14.0288 14.0302 k = 0.0312 0.0289 0.7370 ( 2320 PWs) bands (ev): -17.4684 -17.4684 -16.3102 -16.3093 -15.1047 -15.1035 -14.9429 -14.9429 -5.7551 -5.7549 -5.6053 -5.6035 -2.9265 -2.9255 -2.8784 -2.8771 -0.5316 -0.5288 -0.4229 -0.4191 0.5929 0.5966 0.6751 0.6769 1.8859 1.8866 2.3929 2.3934 2.7742 2.7753 2.7919 2.7931 12.9352 12.9361 13.1862 13.2009 13.2675 13.2795 14.0070 14.0090 k = 0.0417 0.0385 0.7370 ( 2324 PWs) bands (ev): -17.4683 -17.4683 -16.3102 -16.3091 -15.1050 -15.1035 -14.9430 -14.9430 -5.7529 -5.7526 -5.6037 -5.6013 -2.9315 -2.9302 -2.8859 -2.8841 -0.5281 -0.5243 -0.4249 -0.4199 0.6008 0.6056 0.6820 0.6844 1.8826 1.8835 2.3930 2.3936 2.7700 2.7713 2.7885 2.7901 12.9354 12.9366 13.1714 13.1872 13.2746 13.2867 13.9795 13.9818 k = 0.0521 0.0481 0.7370 ( 2328 PWs) bands (ev): -17.4683 -17.4683 -16.3103 -16.3089 -15.1054 -15.1035 -14.9431 -14.9431 -5.7501 -5.7498 -5.6016 -5.5986 -2.9377 -2.9361 -2.8952 -2.8929 -0.5236 -0.5190 -0.4271 -0.4210 0.6108 0.6168 0.6909 0.6939 1.8784 1.8795 2.3932 2.3939 2.7646 2.7663 2.7843 2.7863 12.9357 12.9372 13.1557 13.1722 13.2811 13.2931 13.9478 13.9505 k = 0.0625 0.0577 0.7370 ( 2320 PWs) bands (ev): -17.4683 -17.4682 -16.3103 -16.3086 -15.1058 -15.1035 -14.9433 -14.9433 -5.7468 -5.7464 -5.5991 -5.5955 -2.9450 -2.9432 -2.9060 -2.9034 -0.5182 -0.5128 -0.4296 -0.4224 0.6229 0.6299 0.7017 0.7053 1.8733 1.8746 2.3934 2.3943 2.7581 2.7603 2.7794 2.7818 12.9362 12.9380 13.1393 13.1565 13.2869 13.2987 13.9136 13.9165 k = 0.0729 0.0673 0.7370 ( 2312 PWs) bands (ev): -17.4682 -17.4682 -16.3102 -16.3084 -15.1062 -15.1035 -14.9434 -14.9434 -5.7430 -5.7425 -5.5961 -5.5920 -2.9534 -2.9512 -2.9183 -2.9153 -0.5122 -0.5059 -0.4322 -0.4241 0.6367 0.6447 0.7143 0.7184 1.8673 1.8689 2.3937 2.3948 2.7507 2.7533 2.7738 2.7765 12.9369 12.9390 13.1225 13.1402 13.2918 13.3034 13.8780 13.8809 k = 0.0833 0.0770 0.7370 ( 2312 PWs) bands (ev): -17.4681 -17.4681 -16.3102 -16.3081 -15.1067 -15.1036 -14.9436 -14.9436 -5.7388 -5.7382 -5.5928 -5.5881 -2.9626 -2.9601 -2.9318 -2.9284 -0.5056 -0.4985 -0.4349 -0.4259 0.6520 0.6609 0.7285 0.7332 1.8605 1.8623 2.3941 2.3954 2.7424 2.7454 2.7676 2.7707 12.9378 12.9402 13.1054 13.1236 13.2960 13.3073 13.8417 13.8447 k = 0.0938 0.0866 0.7370 ( 2316 PWs) bands (ev): -17.4681 -17.4680 -16.3102 -16.3078 -15.1071 -15.1038 -14.9438 -14.9438 -5.7342 -5.7335 -5.5892 -5.5840 -2.9726 -2.9697 -2.9463 -2.9424 -0.4987 -0.4909 -0.4377 -0.4279 0.6686 0.6783 0.7443 0.7494 1.8528 1.8548 2.3945 2.3960 2.7333 2.7368 2.7609 2.7644 12.9390 12.9417 13.0882 13.1068 13.2993 13.3103 13.8055 13.8085 k = 0.1042 0.0962 0.7370 ( 2316 PWs) bands (ev): -17.4680 -17.4680 -16.3101 -16.3075 -15.1076 -15.1039 -14.9440 -14.9440 -5.7294 -5.7286 -5.5854 -5.5796 -2.9831 -2.9798 -2.9614 -2.9572 -0.4916 -0.4830 -0.4404 -0.4300 0.6861 0.6967 0.7615 0.7670 1.8443 1.8466 2.3950 2.3968 2.7235 2.7274 2.7539 2.7578 12.9404 12.9434 13.0711 13.0901 13.3019 13.3127 13.7698 13.7728 k = 0.1146 0.1058 0.7370 ( 2306 PWs) bands (ev): -17.4679 -17.4679 -16.3100 -16.3072 -15.1080 -15.1040 -14.9443 -14.9443 -5.7243 -5.7234 -5.5813 -5.5751 -2.9940 -2.9904 -2.9769 -2.9723 -0.4845 -0.4751 -0.4430 -0.4321 0.7044 0.7157 0.7798 0.7857 1.8352 1.8377 2.3956 2.3976 2.7131 2.7176 2.7467 2.7508 12.9421 12.9455 13.0544 13.0737 13.3039 13.3144 13.7351 13.7380 k = 0.1250 0.1154 0.7370 ( 2306 PWs) bands (ev): -17.4679 -17.4678 -16.3099 -16.3070 -15.1085 -15.1042 -14.9445 -14.9445 -5.7191 -5.7182 -5.5772 -5.5704 -3.0052 -3.0013 -2.9924 -2.9875 -0.4775 -0.4673 -0.4454 -0.4343 0.7230 0.7349 0.7990 0.8052 1.8254 1.8281 2.3963 2.3986 2.7023 2.7074 2.7393 2.7438 12.9441 12.9479 13.0381 13.0577 13.3054 13.3157 13.7017 13.7045 k = 0.1354 0.1250 0.7370 ( 2310 PWs) bands (ev): -17.4678 -17.4678 -16.3098 -16.3067 -15.1089 -15.1044 -14.9447 -14.9447 -5.7138 -5.7128 -5.5730 -5.5658 -3.0165 -3.0127 -3.0073 -3.0024 -0.4711 -0.4597 -0.4474 -0.4363 0.7416 0.7542 0.8188 0.8254 1.8151 1.8181 2.3970 2.3997 2.6913 2.6969 2.7319 2.7367 12.9464 12.9506 13.0225 13.0424 13.3063 13.3164 13.6697 13.6724 k = 0.1458 0.1347 0.7370 ( 2310 PWs) bands (ev): -17.4677 -17.4677 -16.3098 -16.3064 -15.1094 -15.1046 -14.9449 -14.9449 -5.7086 -5.7076 -5.5689 -5.5612 -3.0280 -3.0256 -3.0201 -3.0167 -0.4656 -0.4526 -0.4485 -0.4382 0.7600 0.7731 0.8389 0.8458 1.8044 1.8076 2.3979 2.4009 2.6802 2.6863 2.7247 2.7298 12.9489 12.9535 13.0077 13.0278 13.3069 13.3168 13.6395 13.6420 k = 0.1562 0.1443 0.7370 ( 2310 PWs) bands (ev): -17.4676 -17.4676 -16.3097 -16.3062 -15.1098 -15.1048 -14.9451 -14.9451 -5.7036 -5.7025 -5.5648 -5.5568 -3.0397 -3.0395 -3.0308 -3.0298 -0.4620 -0.4480 -0.4463 -0.4396 0.7778 0.7914 0.8590 0.8661 1.7936 1.7969 2.3988 2.4022 2.6691 2.6759 2.7177 2.7230 12.9516 12.9567 12.9939 13.0141 13.3071 13.3168 13.6113 13.6136 k = 0.1667 0.1539 0.7370 ( 2304 PWs) bands (ev): -17.4676 -17.4675 -16.3096 -16.3059 -15.1102 -15.1049 -14.9453 -14.9453 -5.6988 -5.6976 -5.5610 -5.5526 -3.0531 -3.0515 -3.0414 -3.0406 -0.4608 -0.4453 -0.4433 -0.4381 0.7947 0.8088 0.8787 0.8860 1.7827 1.7862 2.3998 2.4035 2.6584 2.6658 2.7111 2.7167 12.9544 12.9600 12.9813 13.0016 13.3071 13.3167 13.5852 13.5874 k = 0.1771 0.1635 0.7370 ( 2306 PWs) bands (ev): -17.4675 -17.4675 -16.3095 -16.3057 -15.1105 -15.1051 -14.9455 -14.9455 -5.6943 -5.6931 -5.5574 -5.5487 -3.0658 -3.0630 -3.0515 -3.0495 -0.4613 -0.4442 -0.4413 -0.4331 0.8105 0.8249 0.8976 0.9051 1.7720 1.7757 2.4008 2.4050 2.6482 2.6562 2.7050 2.7108 12.9568 12.9634 12.9704 12.9902 13.3069 13.3164 13.5615 13.5635 k = 0.1875 0.1731 0.7370 ( 2308 PWs) bands (ev): -17.4675 -17.4674 -16.3094 -16.3055 -15.1109 -15.1053 -14.9457 -14.9457 -5.6902 -5.6889 -5.5541 -5.5451 -3.0772 -3.0738 -3.0603 -3.0575 -0.4623 -0.4455 -0.4372 -0.4282 0.8247 0.8396 0.9152 0.9229 1.7618 1.7657 2.4018 2.4064 2.6387 2.6473 2.6994 2.7054 12.9558 12.9642 12.9668 12.9801 13.3066 13.3160 13.5404 13.5422 k = 0.1979 0.1828 0.7370 ( 2312 PWs) bands (ev): -17.4674 -17.4674 -16.3093 -16.3053 -15.1111 -15.1054 -14.9458 -14.9458 -5.6866 -5.6853 -5.5512 -5.5420 -3.0872 -3.0833 -3.0678 -3.0646 -0.4633 -0.4466 -0.4335 -0.4240 0.8373 0.8524 0.9312 0.9390 1.7525 1.7564 2.4028 2.4078 2.6302 2.6393 2.6945 2.7007 12.9489 12.9652 12.9697 12.9716 13.3062 13.3155 13.5220 13.5236 k = 0.2083 0.1924 0.7370 ( 2314 PWs) bands (ev): -17.4674 -17.4673 -16.3093 -16.3052 -15.1114 -15.1055 -14.9460 -14.9460 -5.6835 -5.6822 -5.5488 -5.5393 -3.0957 -3.0915 -3.0740 -3.0705 -0.4643 -0.4476 -0.4303 -0.4204 0.8479 0.8633 0.9450 0.9529 1.7442 1.7483 2.4037 2.4091 2.6228 2.6325 2.6904 2.6968 12.9419 12.9640 12.9674 12.9730 13.3058 13.3151 13.5067 13.5081 k = 0.2188 0.2020 0.7370 ( 2312 PWs) bands (ev): -17.4673 -17.4673 -16.3092 -16.3051 -15.1116 -15.1056 -14.9461 -14.9461 -5.6811 -5.6798 -5.5469 -5.5372 -3.1024 -3.0980 -3.0790 -3.0751 -0.4650 -0.4484 -0.4278 -0.4176 0.8564 0.8719 0.9563 0.9642 1.7374 1.7416 2.4045 2.4102 2.6168 2.6269 2.6872 2.6936 12.9363 12.9583 12.9695 12.9755 13.3054 13.3147 13.4945 13.4958 k = 0.2292 0.2116 0.7370 ( 2308 PWs) bands (ev): -17.4673 -17.4673 -16.3092 -16.3050 -15.1117 -15.1057 -14.9461 -14.9461 -5.6793 -5.6780 -5.5454 -5.5357 -3.1072 -3.1027 -3.0825 -3.0786 -0.4656 -0.4489 -0.4259 -0.4156 0.8626 0.8783 0.9647 0.9726 1.7323 1.7365 2.4051 2.4110 2.6124 2.6228 2.6848 2.6913 12.9322 12.9542 12.9712 12.9774 13.3052 13.3144 13.4856 13.4868 k = 0.2396 0.2212 0.7370 ( 2308 PWs) bands (ev): -17.4673 -17.4672 -16.3092 -16.3049 -15.1118 -15.1057 -14.9462 -14.9462 -5.6782 -5.6769 -5.5446 -5.5347 -3.1102 -3.1056 -3.0847 -3.0806 -0.4660 -0.4493 -0.4248 -0.4144 0.8664 0.8821 0.9698 0.9778 1.7291 1.7334 2.4054 2.4116 2.6097 2.6203 2.6834 2.6899 12.9297 12.9518 12.9722 12.9785 13.3050 13.3143 13.4803 13.4814 k = 0.2500 0.2309 0.7370 ( 2304 PWs) bands (ev): -17.4673 -17.4672 -16.3091 -16.3049 -15.1118 -15.1058 -14.9462 -14.9462 -5.6779 -5.6765 -5.5443 -5.5344 -3.1111 -3.1065 -3.0854 -3.0813 -0.4661 -0.4494 -0.4244 -0.4140 0.8676 0.8834 0.9715 0.9796 1.7281 1.7323 2.4056 2.4118 2.6087 2.6195 2.6829 2.6895 12.9289 12.9509 12.9725 12.9789 13.3050 13.3142 13.4785 13.4796 Writing output data file BPO4.save init_run : 4.14s CPU 12.43s WALL ( 1 calls) electrons : 442.85s CPU 449.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.55s CPU 1.98s WALL ( 1 calls) Called by electrons: c_bands : 442.81s CPU 449.08s WALL ( 1 calls) v_of_rho : 0.11s CPU 1.00s WALL ( 1 calls) v_h : 0.06s CPU 0.11s WALL ( 1 calls) v_xc : 0.05s CPU 0.62s WALL ( 1 calls) newd : 0.23s CPU 0.36s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.19s WALL ( 380 calls) cegterg : 411.37s CPU 414.57s WALL ( 770 calls) Called by sum_band: Called by *egterg: h_psi : 181.44s CPU 188.46s WALL ( 14364 calls) s_psi : 13.30s CPU 14.44s WALL ( 14364 calls) g_psi : 0.30s CPU 0.39s WALL ( 13214 calls) cdiaghg : 162.82s CPU 160.76s WALL ( 13594 calls) cegterg:over : 34.73s CPU 30.28s WALL ( 13214 calls) cegterg:upda : 3.49s CPU 6.71s WALL ( 13214 calls) cegterg:last : 3.72s CPU 4.64s WALL ( 2366 calls) Called by h_psi: h_psi:vloc : 147.80s CPU 154.54s WALL ( 14364 calls) h_psi:vnl : 33.53s CPU 33.55s WALL ( 14364 calls) add_vuspsi : 7.22s CPU 11.38s WALL ( 14364 calls) General routines calbec : 26.27s CPU 22.04s WALL ( 14364 calls) fft : 0.57s CPU 1.30s WALL ( 19 calls) ffts : 0.18s CPU 0.48s WALL ( 4 calls) fftw : 138.58s CPU 144.27s WALL ( 1189356 calls) interpolate : 0.19s CPU 0.51s WALL ( 4 calls) davcio : 0.03s CPU 1.52s WALL ( 760 calls) Parallel routines fft_scatter : 95.22s CPU 98.60s WALL ( 1189379 calls) PWSCF : 8m 9.76s CPU 9m37.49s WALL This run was terminated on: 22: 2:14 17Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=