Program PWSCF v.5.1.1 starts on 18Oct2015 at 12:49:51 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 6 871 377 59 Max 40 23 7 875 390 63 Sum 1885 1095 319 41865 18403 2927 bravais-lattice index = 14 lattice parameter (alat) = 8.5496 a.u. unit-cell volume = 422.3107 (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)= 8.549551 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.540336 celldm(5)= -0.540336 celldm(6)= 0.080673 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.080673 0.996741 0.000000 ) a(3) = ( -0.540336 -0.498370 0.677985 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.080936 0.737479 ) b(2) = ( 0.000000 1.003270 0.737479 ) b(3) = ( 0.000000 0.000000 1.474959 ) 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 0.0141823), wk = 0.0026316 k( 3) = ( 0.0000000 0.0000000 0.0283646), wk = 0.0026316 k( 4) = ( 0.0000000 0.0000000 0.0425469), wk = 0.0026316 k( 5) = ( 0.0000000 0.0000000 0.0567292), wk = 0.0026316 k( 6) = ( 0.0000000 0.0000000 0.0709115), wk = 0.0026316 k( 7) = ( 0.0000000 0.0000000 0.0850938), wk = 0.0026316 k( 8) = ( 0.0000000 0.0000000 0.0992761), wk = 0.0026316 k( 9) = ( 0.0000000 0.0000000 0.1134584), wk = 0.0026316 k( 10) = ( 0.0000000 0.0000000 0.1276407), wk = 0.0026316 k( 11) = ( 0.0000000 0.0000000 0.1418230), wk = 0.0026316 k( 12) = ( 0.0000000 0.0000000 0.1560053), wk = 0.0026316 k( 13) = ( 0.0000000 0.0000000 0.1701876), wk = 0.0026316 k( 14) = ( 0.0000000 0.0000000 0.1843699), wk = 0.0026316 k( 15) = ( 0.0000000 0.0000000 0.1985522), wk = 0.0026316 k( 16) = ( 0.0000000 0.0000000 0.2127345), wk = 0.0026316 k( 17) = ( 0.0000000 0.0000000 0.2269167), wk = 0.0026316 k( 18) = ( 0.0000000 0.0000000 0.2410991), wk = 0.0026316 k( 19) = ( 0.0000000 0.0000000 0.2552813), wk = 0.0026316 k( 20) = ( 0.0000000 0.0000000 0.2694636), wk = 0.0026316 k( 21) = ( 0.0000000 0.0000000 0.2836459), wk = 0.0026316 k( 22) = ( 0.0000000 0.0000000 0.2978282), wk = 0.0026316 k( 23) = ( 0.0000000 0.0000000 0.3120105), wk = 0.0026316 k( 24) = ( 0.0000000 0.0000000 0.3261928), wk = 0.0026316 k( 25) = ( 0.0000000 0.0000000 0.3403751), wk = 0.0026316 k( 26) = ( 0.0000000 0.0000000 0.3545574), wk = 0.0026316 k( 27) = ( 0.0000000 0.0000000 0.3687397), wk = 0.0026316 k( 28) = ( 0.0000000 0.0000000 0.3829220), wk = 0.0026316 k( 29) = ( 0.0000000 0.0000000 0.3971043), wk = 0.0026316 k( 30) = ( 0.0000000 0.0000000 0.4112866), wk = 0.0026316 k( 31) = ( 0.0000000 0.0000000 0.4254689), wk = 0.0026316 k( 32) = ( 0.0000000 0.0000000 0.4396512), wk = 0.0026316 k( 33) = ( 0.0000000 0.0000000 0.4538335), wk = 0.0026316 k( 34) = ( 0.0000000 0.0000000 0.4680158), wk = 0.0026316 k( 35) = ( 0.0000000 0.0000000 0.4821981), wk = 0.0026316 k( 36) = ( 0.0000000 0.0000000 0.4963804), wk = 0.0026316 k( 37) = ( 0.0000000 0.0000000 0.5105627), wk = 0.0026316 k( 38) = ( 0.0000000 0.0000000 0.5247450), wk = 0.0026316 k( 39) = ( 0.0000000 0.0000000 0.5389273), wk = 0.0026316 k( 40) = ( 0.0000000 0.0000000 0.5531096), wk = 0.0026316 k( 41) = ( 0.0000000 0.0000000 0.5672919), wk = 0.0026316 k( 42) = ( 0.0000000 0.0000000 0.5814742), wk = 0.0026316 k( 43) = ( 0.0000000 0.0000000 0.5956565), wk = 0.0026316 k( 44) = ( 0.0000000 0.0000000 0.6098388), wk = 0.0026316 k( 45) = ( 0.0000000 0.0000000 0.6240211), wk = 0.0026316 k( 46) = ( 0.0000000 0.0000000 0.6382034), wk = 0.0026316 k( 47) = ( 0.0000000 0.0000000 0.6523857), wk = 0.0026316 k( 48) = ( 0.0000000 0.0000000 0.6665680), wk = 0.0026316 k( 49) = ( 0.0000000 0.0000000 0.6807503), wk = 0.0026316 k( 50) = ( 0.0000000 0.0000000 0.6949326), wk = 0.0026316 k( 51) = ( 0.0000000 0.0000000 0.7091148), wk = 0.0026316 k( 52) = ( 0.0000000 0.0000000 0.7232972), wk = 0.0026316 k( 53) = ( 0.0000000 0.0000000 0.7374794), wk = 0.0026316 k( 54) = ( 0.0000000 0.0000000 0.7374794), wk = 0.0026316 k( 55) = ( -0.0096670 0.0104811 0.7374794), wk = 0.0026316 k( 56) = ( -0.0193341 0.0209621 0.7374794), wk = 0.0026316 k( 57) = ( -0.0290011 0.0314432 0.7374794), wk = 0.0026316 k( 58) = ( -0.0386681 0.0419242 0.7374794), wk = 0.0026316 k( 59) = ( -0.0483352 0.0524053 0.7374794), wk = 0.0026316 k( 60) = ( -0.0580022 0.0628864 0.7374794), wk = 0.0026316 k( 61) = ( -0.0676693 0.0733674 0.7374794), wk = 0.0026316 k( 62) = ( -0.0773363 0.0838485 0.7374794), wk = 0.0026316 k( 63) = ( -0.0870033 0.0943296 0.7374794), wk = 0.0026316 k( 64) = ( -0.0966704 0.1048106 0.7374794), wk = 0.0026316 k( 65) = ( -0.1063374 0.1152917 0.7374794), wk = 0.0026316 k( 66) = ( -0.1160044 0.1257728 0.7374794), wk = 0.0026316 k( 67) = ( -0.1256715 0.1362538 0.7374794), wk = 0.0026316 k( 68) = ( -0.1353385 0.1467349 0.7374794), wk = 0.0026316 k( 69) = ( -0.1450055 0.1572159 0.7374794), wk = 0.0026316 k( 70) = ( -0.1546726 0.1676970 0.7374794), wk = 0.0026316 k( 71) = ( -0.1643396 0.1781781 0.7374794), wk = 0.0026316 k( 72) = ( -0.1740066 0.1886591 0.7374794), wk = 0.0026316 k( 73) = ( -0.1836737 0.1991402 0.7374794), wk = 0.0026316 k( 74) = ( -0.1933407 0.2096213 0.7374794), wk = 0.0026316 k( 75) = ( -0.2030077 0.2201023 0.7374794), wk = 0.0026316 k( 76) = ( -0.2126748 0.2305834 0.7374794), wk = 0.0026316 k( 77) = ( -0.2126748 0.2305834 0.7374794), wk = 0.0026316 k( 78) = ( -0.2195159 0.2380005 0.7273891), wk = 0.0026316 k( 79) = ( -0.2263569 0.2454177 0.7172988), wk = 0.0026316 k( 80) = ( -0.2331980 0.2528348 0.7072085), wk = 0.0026316 k( 81) = ( -0.2400391 0.2602519 0.6971182), wk = 0.0026316 k( 82) = ( -0.2468802 0.2676691 0.6870279), wk = 0.0026316 k( 83) = ( -0.2537212 0.2750862 0.6769376), wk = 0.0026316 k( 84) = ( -0.2605623 0.2825034 0.6668473), wk = 0.0026316 k( 85) = ( -0.2674034 0.2899205 0.6567570), wk = 0.0026316 k( 86) = ( -0.2742445 0.2973376 0.6466667), wk = 0.0026316 k( 87) = ( -0.2810856 0.3047548 0.6365764), wk = 0.0026316 k( 88) = ( -0.2879266 0.3121719 0.6264861), wk = 0.0026316 k( 89) = ( -0.2947677 0.3195891 0.6163958), wk = 0.0026316 k( 90) = ( -0.3016088 0.3270062 0.6063055), wk = 0.0026316 k( 91) = ( -0.3084499 0.3344233 0.5962152), wk = 0.0026316 k( 92) = ( -0.3152909 0.3418405 0.5861248), wk = 0.0026316 k( 93) = ( -0.3221320 0.3492576 0.5760345), wk = 0.0026316 k( 94) = ( -0.3289731 0.3566748 0.5659442), wk = 0.0026316 k( 95) = ( -0.3358142 0.3640919 0.5558539), wk = 0.0026316 k( 96) = ( -0.3426552 0.3715090 0.5457636), wk = 0.0026316 k( 97) = ( -0.3494963 0.3789262 0.5356733), wk = 0.0026316 k( 98) = ( -0.3563374 0.3863433 0.5255830), wk = 0.0026316 k( 99) = ( -0.3563374 0.3863433 0.5255830), wk = 0.0026316 k( 100) = ( -0.3494848 0.3789136 0.5154756), wk = 0.0026316 k( 101) = ( -0.3426321 0.3714840 0.5053683), wk = 0.0026316 k( 102) = ( -0.3357795 0.3640543 0.4952609), wk = 0.0026316 k( 103) = ( -0.3289268 0.3566246 0.4851535), wk = 0.0026316 k( 104) = ( -0.3220742 0.3491949 0.4750462), wk = 0.0026316 k( 105) = ( -0.3152215 0.3417652 0.4649388), wk = 0.0026316 k( 106) = ( -0.3083689 0.3343356 0.4548314), wk = 0.0026316 k( 107) = ( -0.3015163 0.3269059 0.4447241), wk = 0.0026316 k( 108) = ( -0.2946636 0.3194762 0.4346167), wk = 0.0026316 k( 109) = ( -0.2878110 0.3120465 0.4245093), wk = 0.0026316 k( 110) = ( -0.2809583 0.3046168 0.4144020), wk = 0.0026316 k( 111) = ( -0.2741057 0.2971872 0.4042946), wk = 0.0026316 k( 112) = ( -0.2672530 0.2897575 0.3941872), wk = 0.0026316 k( 113) = ( -0.2604004 0.2823278 0.3840799), wk = 0.0026316 k( 114) = ( -0.2535478 0.2748981 0.3739725), wk = 0.0026316 k( 115) = ( -0.2466951 0.2674685 0.3638652), wk = 0.0026316 k( 116) = ( -0.2398425 0.2600388 0.3537578), wk = 0.0026316 k( 117) = ( -0.2329898 0.2526091 0.3436504), wk = 0.0026316 k( 118) = ( -0.2261372 0.2451794 0.3335431), wk = 0.0026316 k( 119) = ( -0.2192845 0.2377497 0.3234357), wk = 0.0026316 k( 120) = ( -0.2124319 0.2303201 0.3133283), wk = 0.0026316 k( 121) = ( -0.2055793 0.2228904 0.3032210), wk = 0.0026316 k( 122) = ( -0.1987266 0.2154607 0.2931136), wk = 0.0026316 k( 123) = ( -0.1918740 0.2080310 0.2830062), wk = 0.0026316 k( 124) = ( -0.1850213 0.2006013 0.2728989), wk = 0.0026316 k( 125) = ( -0.1781687 0.1931717 0.2627915), wk = 0.0026316 k( 126) = ( -0.1713160 0.1857420 0.2526841), wk = 0.0026316 k( 127) = ( -0.1644634 0.1783123 0.2425768), wk = 0.0026316 k( 128) = ( -0.1576108 0.1708826 0.2324694), wk = 0.0026316 k( 129) = ( -0.1507581 0.1634529 0.2223620), wk = 0.0026316 k( 130) = ( -0.1439055 0.1560233 0.2122547), wk = 0.0026316 k( 131) = ( -0.1370528 0.1485936 0.2021473), wk = 0.0026316 k( 132) = ( -0.1302002 0.1411639 0.1920399), wk = 0.0026316 k( 133) = ( -0.1233476 0.1337342 0.1819326), wk = 0.0026316 k( 134) = ( -0.1164949 0.1263045 0.1718252), wk = 0.0026316 k( 135) = ( -0.1096423 0.1188749 0.1617178), wk = 0.0026316 k( 136) = ( -0.1027896 0.1114452 0.1516105), wk = 0.0026316 k( 137) = ( -0.0959370 0.1040155 0.1415031), wk = 0.0026316 k( 138) = ( -0.0890844 0.0965858 0.1313958), wk = 0.0026316 k( 139) = ( -0.0822317 0.0891562 0.1212884), wk = 0.0026316 k( 140) = ( -0.0753791 0.0817265 0.1111810), wk = 0.0026316 k( 141) = ( -0.0685264 0.0742968 0.1010737), wk = 0.0026316 k( 142) = ( -0.0616738 0.0668671 0.0909663), wk = 0.0026316 k( 143) = ( -0.0548211 0.0594374 0.0808589), wk = 0.0026316 k( 144) = ( -0.0479685 0.0520078 0.0707516), wk = 0.0026316 k( 145) = ( -0.0411159 0.0445781 0.0606442), wk = 0.0026316 k( 146) = ( -0.0342632 0.0371484 0.0505368), wk = 0.0026316 k( 147) = ( -0.0274106 0.0297187 0.0404295), wk = 0.0026316 k( 148) = ( -0.0205579 0.0222890 0.0303221), wk = 0.0026316 k( 149) = ( -0.0137053 0.0148594 0.0202147), wk = 0.0026316 k( 150) = ( -0.0068526 0.0074297 0.0101074), 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 0.0096076 0.0000000), wk = 0.0026316 k( 154) = ( 0.0208333 0.0192153 0.0000000), wk = 0.0026316 k( 155) = ( 0.0312500 0.0288229 0.0000000), wk = 0.0026316 k( 156) = ( 0.0416667 0.0384306 0.0000000), wk = 0.0026316 k( 157) = ( 0.0520833 0.0480382 0.0000000), wk = 0.0026316 k( 158) = ( 0.0625000 0.0576458 0.0000000), wk = 0.0026316 k( 159) = ( 0.0729167 0.0672535 0.0000000), wk = 0.0026316 k( 160) = ( 0.0833333 0.0768611 0.0000000), wk = 0.0026316 k( 161) = ( 0.0937500 0.0864688 0.0000000), wk = 0.0026316 k( 162) = ( 0.1041667 0.0960764 0.0000000), wk = 0.0026316 k( 163) = ( 0.1145833 0.1056840 0.0000000), wk = 0.0026316 k( 164) = ( 0.1250000 0.1152917 0.0000000), wk = 0.0026316 k( 165) = ( 0.1354167 0.1248993 0.0000000), wk = 0.0026316 k( 166) = ( 0.1458333 0.1345070 0.0000000), wk = 0.0026316 k( 167) = ( 0.1562500 0.1441146 0.0000000), wk = 0.0026316 k( 168) = ( 0.1666667 0.1537223 0.0000000), wk = 0.0026316 k( 169) = ( 0.1770833 0.1633299 0.0000000), wk = 0.0026316 k( 170) = ( 0.1875000 0.1729375 0.0000000), wk = 0.0026316 k( 171) = ( 0.1979167 0.1825452 0.0000000), wk = 0.0026316 k( 172) = ( 0.2083333 0.1921528 0.0000000), wk = 0.0026316 k( 173) = ( 0.2187500 0.2017605 0.0000000), wk = 0.0026316 k( 174) = ( 0.2291667 0.2113681 0.0000000), wk = 0.0026316 k( 175) = ( 0.2395833 0.2209757 0.0000000), wk = 0.0026316 k( 176) = ( 0.2500000 0.2305834 0.0000000), wk = 0.0026316 k( 177) = ( 0.2604167 0.2401910 0.0000000), wk = 0.0026316 k( 178) = ( 0.2708333 0.2497987 0.0000000), wk = 0.0026316 k( 179) = ( 0.2812500 0.2594063 0.0000000), wk = 0.0026316 k( 180) = ( 0.2916667 0.2690139 0.0000000), wk = 0.0026316 k( 181) = ( 0.3020833 0.2786216 0.0000000), wk = 0.0026316 k( 182) = ( 0.3125000 0.2882292 0.0000000), wk = 0.0026316 k( 183) = ( 0.3229167 0.2978369 0.0000000), wk = 0.0026316 k( 184) = ( 0.3333333 0.3074445 0.0000000), wk = 0.0026316 k( 185) = ( 0.3437500 0.3170522 0.0000000), wk = 0.0026316 k( 186) = ( 0.3541667 0.3266598 0.0000000), wk = 0.0026316 k( 187) = ( 0.3645833 0.3362674 0.0000000), wk = 0.0026316 k( 188) = ( 0.3750000 0.3458751 0.0000000), wk = 0.0026316 k( 189) = ( 0.3854167 0.3554827 0.0000000), wk = 0.0026316 k( 190) = ( 0.3958333 0.3650904 0.0000000), wk = 0.0026316 k( 191) = ( 0.4062500 0.3746980 0.0000000), wk = 0.0026316 k( 192) = ( 0.4166667 0.3843056 0.0000000), wk = 0.0026316 k( 193) = ( 0.4270833 0.3939133 0.0000000), wk = 0.0026316 k( 194) = ( 0.4375000 0.4035209 0.0000000), wk = 0.0026316 k( 195) = ( 0.4479167 0.4131286 0.0000000), wk = 0.0026316 k( 196) = ( 0.4583333 0.4227362 0.0000000), wk = 0.0026316 k( 197) = ( 0.4687500 0.4323438 0.0000000), wk = 0.0026316 k( 198) = ( 0.4791667 0.4419515 0.0000000), wk = 0.0026316 k( 199) = ( 0.4895833 0.4515591 0.0000000), wk = 0.0026316 k( 200) = ( 0.5000000 0.4611668 0.0000000), wk = 0.0026316 k( 201) = ( 0.5000000 0.4611668 0.0000000), wk = 0.0026316 k( 202) = ( 0.4931589 0.4685839 0.0100903), wk = 0.0026316 k( 203) = ( 0.4863178 0.4760010 0.0201806), wk = 0.0026316 k( 204) = ( 0.4794768 0.4834182 0.0302709), wk = 0.0026316 k( 205) = ( 0.4726357 0.4908353 0.0403612), wk = 0.0026316 k( 206) = ( 0.4657946 0.4982525 0.0504515), wk = 0.0026316 k( 207) = ( 0.4589535 0.5056696 0.0605418), wk = 0.0026316 k( 208) = ( 0.4521125 0.5130867 0.0706322), wk = 0.0026316 k( 209) = ( 0.4452714 0.5205039 0.0807224), wk = 0.0026316 k( 210) = ( 0.4384303 0.5279210 0.0908128), wk = 0.0026316 k( 211) = ( 0.4315892 0.5353382 0.1009031), wk = 0.0026316 k( 212) = ( 0.4247482 0.5427553 0.1109934), wk = 0.0026316 k( 213) = ( 0.4179071 0.5501724 0.1210837), wk = 0.0026316 k( 214) = ( 0.4110660 0.5575896 0.1311740), wk = 0.0026316 k( 215) = ( 0.4042249 0.5650067 0.1412643), wk = 0.0026316 k( 216) = ( 0.3973838 0.5724239 0.1513546), wk = 0.0026316 k( 217) = ( 0.3905428 0.5798410 0.1614449), wk = 0.0026316 k( 218) = ( 0.3837017 0.5872581 0.1715352), wk = 0.0026316 k( 219) = ( 0.3768606 0.5946753 0.1816255), wk = 0.0026316 k( 220) = ( 0.3700195 0.6020924 0.1917158), wk = 0.0026316 k( 221) = ( 0.3631785 0.6095096 0.2018061), wk = 0.0026316 k( 222) = ( 0.3563374 0.6169267 0.2118964), wk = 0.0026316 k( 223) = ( 0.3563374 0.6169267 0.2118964), wk = 0.0026316 k( 224) = ( 0.3440499 0.6129511 0.2173048), wk = 0.0026316 k( 225) = ( 0.3317624 0.6089755 0.2227132), wk = 0.0026316 k( 226) = ( 0.3194749 0.6050000 0.2281216), wk = 0.0026316 k( 227) = ( 0.3071874 0.6010244 0.2335300), wk = 0.0026316 k( 228) = ( 0.2948999 0.5970488 0.2389384), wk = 0.0026316 k( 229) = ( 0.2826124 0.5930732 0.2443468), wk = 0.0026316 k( 230) = ( 0.2703249 0.5890977 0.2497552), wk = 0.0026316 k( 231) = ( 0.2580374 0.5851221 0.2551636), wk = 0.0026316 k( 232) = ( 0.2457499 0.5811465 0.2605719), wk = 0.0026316 k( 233) = ( 0.2334624 0.5771709 0.2659803), wk = 0.0026316 k( 234) = ( 0.2211749 0.5731954 0.2713887), wk = 0.0026316 k( 235) = ( 0.2088874 0.5692198 0.2767971), wk = 0.0026316 k( 236) = ( 0.1965999 0.5652442 0.2822055), wk = 0.0026316 k( 237) = ( 0.1843124 0.5612686 0.2876139), wk = 0.0026316 k( 238) = ( 0.1720250 0.5572931 0.2930223), wk = 0.0026316 k( 239) = ( 0.1597375 0.5533175 0.2984307), wk = 0.0026316 k( 240) = ( 0.1474500 0.5493419 0.3038391), wk = 0.0026316 k( 241) = ( 0.1351625 0.5453663 0.3092474), wk = 0.0026316 k( 242) = ( 0.1228750 0.5413908 0.3146558), wk = 0.0026316 k( 243) = ( 0.1105875 0.5374152 0.3200642), wk = 0.0026316 k( 244) = ( 0.0983000 0.5334396 0.3254726), wk = 0.0026316 k( 245) = ( 0.0860125 0.5294640 0.3308810), wk = 0.0026316 k( 246) = ( 0.0737250 0.5254885 0.3362894), wk = 0.0026316 k( 247) = ( 0.0614375 0.5215129 0.3416978), wk = 0.0026316 k( 248) = ( 0.0491500 0.5175373 0.3471062), wk = 0.0026316 k( 249) = ( 0.0368625 0.5135617 0.3525146), wk = 0.0026316 k( 250) = ( 0.0245750 0.5095862 0.3579229), wk = 0.0026316 k( 251) = ( 0.0122875 0.5056106 0.3633313), wk = 0.0026316 k( 252) = ( 0.0000000 0.5016350 0.3687397), wk = 0.0026316 k( 253) = ( 0.0000000 0.5016350 0.3687397), wk = 0.0026316 k( 254) = ( 0.0067568 0.4943093 0.3787057), wk = 0.0026316 k( 255) = ( 0.0135135 0.4869836 0.3886716), wk = 0.0026316 k( 256) = ( 0.0202703 0.4796578 0.3986375), wk = 0.0026316 k( 257) = ( 0.0270270 0.4723321 0.4086035), wk = 0.0026316 k( 258) = ( 0.0337838 0.4650064 0.4185694), wk = 0.0026316 k( 259) = ( 0.0405405 0.4576807 0.4285354), wk = 0.0026316 k( 260) = ( 0.0472973 0.4503550 0.4385013), wk = 0.0026316 k( 261) = ( 0.0540540 0.4430293 0.4484672), wk = 0.0026316 k( 262) = ( 0.0608108 0.4357035 0.4584332), wk = 0.0026316 k( 263) = ( 0.0675676 0.4283778 0.4683991), wk = 0.0026316 k( 264) = ( 0.0743243 0.4210521 0.4783650), wk = 0.0026316 k( 265) = ( 0.0810811 0.4137264 0.4883310), wk = 0.0026316 k( 266) = ( 0.0878378 0.4064006 0.4982969), wk = 0.0026316 k( 267) = ( 0.0945946 0.3990749 0.5082629), wk = 0.0026316 k( 268) = ( 0.1013514 0.3917492 0.5182288), wk = 0.0026316 k( 269) = ( 0.1081081 0.3844235 0.5281947), wk = 0.0026316 k( 270) = ( 0.1148649 0.3770978 0.5381607), wk = 0.0026316 k( 271) = ( 0.1216216 0.3697721 0.5481266), wk = 0.0026316 k( 272) = ( 0.1283784 0.3624463 0.5580926), wk = 0.0026316 k( 273) = ( 0.1351351 0.3551206 0.5680585), wk = 0.0026316 k( 274) = ( 0.1418919 0.3477949 0.5780244), wk = 0.0026316 k( 275) = ( 0.1486486 0.3404692 0.5879904), wk = 0.0026316 k( 276) = ( 0.1554054 0.3331435 0.5979563), wk = 0.0026316 k( 277) = ( 0.1621622 0.3258177 0.6079222), wk = 0.0026316 k( 278) = ( 0.1689189 0.3184920 0.6178882), wk = 0.0026316 k( 279) = ( 0.1756757 0.3111663 0.6278541), wk = 0.0026316 k( 280) = ( 0.1824324 0.3038406 0.6378201), wk = 0.0026316 k( 281) = ( 0.1891892 0.2965149 0.6477860), wk = 0.0026316 k( 282) = ( 0.1959460 0.2891891 0.6577519), wk = 0.0026316 k( 283) = ( 0.2027027 0.2818634 0.6677179), wk = 0.0026316 k( 284) = ( 0.2094595 0.2745377 0.6776838), wk = 0.0026316 k( 285) = ( 0.2162162 0.2672120 0.6876498), wk = 0.0026316 k( 286) = ( 0.2229730 0.2598863 0.6976157), wk = 0.0026316 k( 287) = ( 0.2297297 0.2525605 0.7075816), wk = 0.0026316 k( 288) = ( 0.2364865 0.2452348 0.7175476), wk = 0.0026316 k( 289) = ( 0.2432432 0.2379091 0.7275135), wk = 0.0026316 k( 290) = ( 0.2500000 0.2305834 0.7374794), wk = 0.0026316 k( 291) = ( 0.2500000 0.2305834 0.7374794), wk = 0.0026316 k( 292) = ( 0.2575758 0.2375708 0.7279738), wk = 0.0026316 k( 293) = ( 0.2651515 0.2445581 0.7184681), wk = 0.0026316 k( 294) = ( 0.2727273 0.2515455 0.7089625), wk = 0.0026316 k( 295) = ( 0.2803030 0.2585329 0.6994568), wk = 0.0026316 k( 296) = ( 0.2878788 0.2655203 0.6899512), wk = 0.0026316 k( 297) = ( 0.2954545 0.2725076 0.6804455), wk = 0.0026316 k( 298) = ( 0.3030303 0.2794950 0.6709399), wk = 0.0026316 k( 299) = ( 0.3106061 0.2864824 0.6614342), wk = 0.0026316 k( 300) = ( 0.3181818 0.2934698 0.6519286), wk = 0.0026316 k( 301) = ( 0.3257576 0.3004571 0.6424229), wk = 0.0026316 k( 302) = ( 0.3333333 0.3074445 0.6329172), wk = 0.0026316 k( 303) = ( 0.3409091 0.3144319 0.6234116), wk = 0.0026316 k( 304) = ( 0.3484849 0.3214193 0.6139060), wk = 0.0026316 k( 305) = ( 0.3560606 0.3284066 0.6044003), wk = 0.0026316 k( 306) = ( 0.3636364 0.3353940 0.5948946), wk = 0.0026316 k( 307) = ( 0.3712121 0.3423814 0.5853890), wk = 0.0026316 k( 308) = ( 0.3787879 0.3493688 0.5758833), wk = 0.0026316 k( 309) = ( 0.3863636 0.3563561 0.5663777), wk = 0.0026316 k( 310) = ( 0.3939394 0.3633435 0.5568720), wk = 0.0026316 k( 311) = ( 0.4015151 0.3703309 0.5473664), wk = 0.0026316 k( 312) = ( 0.4090909 0.3773183 0.5378607), wk = 0.0026316 k( 313) = ( 0.4166667 0.3843056 0.5283551), wk = 0.0026316 k( 314) = ( 0.4242424 0.3912930 0.5188494), wk = 0.0026316 k( 315) = ( 0.4318182 0.3982804 0.5093438), wk = 0.0026316 k( 316) = ( 0.4393939 0.4052678 0.4998381), wk = 0.0026316 k( 317) = ( 0.4469697 0.4122551 0.4903325), wk = 0.0026316 k( 318) = ( 0.4545455 0.4192425 0.4808268), wk = 0.0026316 k( 319) = ( 0.4621212 0.4262299 0.4713211), wk = 0.0026316 k( 320) = ( 0.4696970 0.4332173 0.4618155), wk = 0.0026316 k( 321) = ( 0.4772727 0.4402046 0.4523098), wk = 0.0026316 k( 322) = ( 0.4848485 0.4471920 0.4428042), wk = 0.0026316 k( 323) = ( 0.4924242 0.4541794 0.4332985), wk = 0.0026316 k( 324) = ( 0.5000000 0.4611668 0.4237929), wk = 0.0026316 k( 325) = ( 0.5000000 0.4611668 0.4237929), wk = 0.0026316 k( 326) = ( 0.5000000 0.4611668 0.4096665), wk = 0.0026316 k( 327) = ( 0.5000000 0.4611668 0.3955400), wk = 0.0026316 k( 328) = ( 0.5000000 0.4611668 0.3814136), wk = 0.0026316 k( 329) = ( 0.5000000 0.4611668 0.3672872), wk = 0.0026316 k( 330) = ( 0.5000000 0.4611668 0.3531607), wk = 0.0026316 k( 331) = ( 0.5000000 0.4611668 0.3390343), wk = 0.0026316 k( 332) = ( 0.5000000 0.4611668 0.3249079), wk = 0.0026316 k( 333) = ( 0.5000000 0.4611668 0.3107814), wk = 0.0026316 k( 334) = ( 0.5000000 0.4611668 0.2966550), wk = 0.0026316 k( 335) = ( 0.5000000 0.4611668 0.2825286), wk = 0.0026316 k( 336) = ( 0.5000000 0.4611668 0.2684022), wk = 0.0026316 k( 337) = ( 0.5000000 0.4611668 0.2542757), wk = 0.0026316 k( 338) = ( 0.5000000 0.4611668 0.2401493), wk = 0.0026316 k( 339) = ( 0.5000000 0.4611668 0.2260229), wk = 0.0026316 k( 340) = ( 0.5000000 0.4611668 0.2118964), wk = 0.0026316 k( 341) = ( 0.5000000 0.4611668 0.1977700), wk = 0.0026316 k( 342) = ( 0.5000000 0.4611668 0.1836436), wk = 0.0026316 k( 343) = ( 0.5000000 0.4611668 0.1695172), wk = 0.0026316 k( 344) = ( 0.5000000 0.4611668 0.1553907), wk = 0.0026316 k( 345) = ( 0.5000000 0.4611668 0.1412643), wk = 0.0026316 k( 346) = ( 0.5000000 0.4611668 0.1271379), wk = 0.0026316 k( 347) = ( 0.5000000 0.4611668 0.1130114), wk = 0.0026316 k( 348) = ( 0.5000000 0.4611668 0.0988850), wk = 0.0026316 k( 349) = ( 0.5000000 0.4611668 0.0847586), wk = 0.0026316 k( 350) = ( 0.5000000 0.4611668 0.0706322), wk = 0.0026316 k( 351) = ( 0.5000000 0.4611668 0.0565057), wk = 0.0026316 k( 352) = ( 0.5000000 0.4611668 0.0423793), wk = 0.0026316 k( 353) = ( 0.5000000 0.4611668 0.0282529), wk = 0.0026316 k( 354) = ( 0.5000000 0.4611668 0.0141264), wk = 0.0026316 k( 355) = ( 0.5000000 0.4611668 0.0000000), wk = 0.0026316 k( 356) = ( 0.0000000 0.0000000 0.7374794), wk = 0.0026316 k( 357) = ( 0.0104167 0.0096076 0.7374794), wk = 0.0026316 k( 358) = ( 0.0208333 0.0192153 0.7374794), wk = 0.0026316 k( 359) = ( 0.0312500 0.0288229 0.7374794), wk = 0.0026316 k( 360) = ( 0.0416667 0.0384306 0.7374794), wk = 0.0026316 k( 361) = ( 0.0520833 0.0480382 0.7374794), wk = 0.0026316 k( 362) = ( 0.0625000 0.0576458 0.7374794), wk = 0.0026316 k( 363) = ( 0.0729167 0.0672535 0.7374794), wk = 0.0026316 k( 364) = ( 0.0833333 0.0768611 0.7374794), wk = 0.0026316 k( 365) = ( 0.0937500 0.0864688 0.7374794), wk = 0.0026316 k( 366) = ( 0.1041667 0.0960764 0.7374794), wk = 0.0026316 k( 367) = ( 0.1145833 0.1056840 0.7374794), wk = 0.0026316 k( 368) = ( 0.1250000 0.1152917 0.7374794), wk = 0.0026316 k( 369) = ( 0.1354167 0.1248993 0.7374794), wk = 0.0026316 k( 370) = ( 0.1458333 0.1345070 0.7374794), wk = 0.0026316 k( 371) = ( 0.1562500 0.1441146 0.7374794), wk = 0.0026316 k( 372) = ( 0.1666667 0.1537223 0.7374794), wk = 0.0026316 k( 373) = ( 0.1770833 0.1633299 0.7374794), wk = 0.0026316 k( 374) = ( 0.1875000 0.1729375 0.7374794), wk = 0.0026316 k( 375) = ( 0.1979167 0.1825452 0.7374794), wk = 0.0026316 k( 376) = ( 0.2083333 0.1921528 0.7374794), wk = 0.0026316 k( 377) = ( 0.2187500 0.2017605 0.7374794), wk = 0.0026316 k( 378) = ( 0.2291667 0.2113681 0.7374794), wk = 0.0026316 k( 379) = ( 0.2395833 0.2209757 0.7374794), wk = 0.0026316 k( 380) = ( 0.2500000 0.2305834 0.7374794), 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 0.0288461), 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 0.0961538), 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 0.1538461), 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 0.2211538), 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 0.4038461), 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) = ( -0.0096670 0.0096670 0.5000000), wk = 0.0026316 k( 56) = ( -0.0193341 0.0193341 0.5000000), wk = 0.0026316 k( 57) = ( -0.0290011 0.0290011 0.5000000), wk = 0.0026316 k( 58) = ( -0.0386681 0.0386681 0.5000000), wk = 0.0026316 k( 59) = ( -0.0483352 0.0483352 0.5000000), wk = 0.0026316 k( 60) = ( -0.0580022 0.0580022 0.5000000), wk = 0.0026316 k( 61) = ( -0.0676693 0.0676692 0.5000000), wk = 0.0026316 k( 62) = ( -0.0773363 0.0773363 0.5000000), wk = 0.0026316 k( 63) = ( -0.0870033 0.0870033 0.5000000), wk = 0.0026316 k( 64) = ( -0.0966704 0.0966704 0.5000000), wk = 0.0026316 k( 65) = ( -0.1063374 0.1063374 0.5000000), wk = 0.0026316 k( 66) = ( -0.1160044 0.1160044 0.5000000), wk = 0.0026316 k( 67) = ( -0.1256715 0.1256715 0.5000000), wk = 0.0026316 k( 68) = ( -0.1353385 0.1353385 0.5000000), wk = 0.0026316 k( 69) = ( -0.1450055 0.1450055 0.5000000), wk = 0.0026316 k( 70) = ( -0.1546726 0.1546726 0.5000000), wk = 0.0026316 k( 71) = ( -0.1643396 0.1643396 0.5000000), wk = 0.0026316 k( 72) = ( -0.1740066 0.1740066 0.5000000), wk = 0.0026316 k( 73) = ( -0.1836737 0.1836737 0.5000000), wk = 0.0026316 k( 74) = ( -0.1933407 0.1933407 0.5000000), wk = 0.0026316 k( 75) = ( -0.2030077 0.2030077 0.5000000), wk = 0.0026316 k( 76) = ( -0.2126748 0.2126748 0.5000000), wk = 0.0026316 k( 77) = ( -0.2126748 0.2126748 0.5000000), wk = 0.0026316 k( 78) = ( -0.2195159 0.2195159 0.4931589), wk = 0.0026316 k( 79) = ( -0.2263569 0.2263569 0.4863178), wk = 0.0026316 k( 80) = ( -0.2331980 0.2331980 0.4794768), wk = 0.0026316 k( 81) = ( -0.2400391 0.2400391 0.4726357), wk = 0.0026316 k( 82) = ( -0.2468802 0.2468802 0.4657946), wk = 0.0026316 k( 83) = ( -0.2537212 0.2537212 0.4589535), wk = 0.0026316 k( 84) = ( -0.2605623 0.2605623 0.4521125), wk = 0.0026316 k( 85) = ( -0.2674034 0.2674034 0.4452714), wk = 0.0026316 k( 86) = ( -0.2742445 0.2742445 0.4384303), wk = 0.0026316 k( 87) = ( -0.2810856 0.2810855 0.4315892), wk = 0.0026316 k( 88) = ( -0.2879266 0.2879266 0.4247482), wk = 0.0026316 k( 89) = ( -0.2947677 0.2947677 0.4179071), wk = 0.0026316 k( 90) = ( -0.3016088 0.3016088 0.4110660), wk = 0.0026316 k( 91) = ( -0.3084499 0.3084499 0.4042249), wk = 0.0026316 k( 92) = ( -0.3152909 0.3152909 0.3973838), wk = 0.0026316 k( 93) = ( -0.3221320 0.3221320 0.3905428), wk = 0.0026316 k( 94) = ( -0.3289731 0.3289731 0.3837017), wk = 0.0026316 k( 95) = ( -0.3358142 0.3358142 0.3768606), wk = 0.0026316 k( 96) = ( -0.3426552 0.3426552 0.3700195), wk = 0.0026316 k( 97) = ( -0.3494963 0.3494963 0.3631785), wk = 0.0026316 k( 98) = ( -0.3563374 0.3563374 0.3563374), wk = 0.0026316 k( 99) = ( -0.3563374 0.3563374 0.3563374), wk = 0.0026316 k( 100) = ( -0.3494848 0.3494847 0.3494848), wk = 0.0026316 k( 101) = ( -0.3426321 0.3426321 0.3426321), wk = 0.0026316 k( 102) = ( -0.3357795 0.3357795 0.3357795), wk = 0.0026316 k( 103) = ( -0.3289268 0.3289268 0.3289268), wk = 0.0026316 k( 104) = ( -0.3220742 0.3220742 0.3220742), wk = 0.0026316 k( 105) = ( -0.3152215 0.3152215 0.3152215), wk = 0.0026316 k( 106) = ( -0.3083689 0.3083689 0.3083689), wk = 0.0026316 k( 107) = ( -0.3015163 0.3015163 0.3015163), wk = 0.0026316 k( 108) = ( -0.2946636 0.2946636 0.2946636), wk = 0.0026316 k( 109) = ( -0.2878110 0.2878110 0.2878110), wk = 0.0026316 k( 110) = ( -0.2809583 0.2809583 0.2809583), wk = 0.0026316 k( 111) = ( -0.2741057 0.2741057 0.2741057), wk = 0.0026316 k( 112) = ( -0.2672530 0.2672530 0.2672530), wk = 0.0026316 k( 113) = ( -0.2604004 0.2604004 0.2604004), wk = 0.0026316 k( 114) = ( -0.2535478 0.2535478 0.2535478), wk = 0.0026316 k( 115) = ( -0.2466951 0.2466951 0.2466951), wk = 0.0026316 k( 116) = ( -0.2398425 0.2398425 0.2398425), wk = 0.0026316 k( 117) = ( -0.2329898 0.2329898 0.2329898), wk = 0.0026316 k( 118) = ( -0.2261372 0.2261372 0.2261372), wk = 0.0026316 k( 119) = ( -0.2192845 0.2192845 0.2192845), wk = 0.0026316 k( 120) = ( -0.2124319 0.2124319 0.2124319), wk = 0.0026316 k( 121) = ( -0.2055793 0.2055793 0.2055793), wk = 0.0026316 k( 122) = ( -0.1987266 0.1987266 0.1987266), wk = 0.0026316 k( 123) = ( -0.1918740 0.1918740 0.1918740), wk = 0.0026316 k( 124) = ( -0.1850213 0.1850213 0.1850213), wk = 0.0026316 k( 125) = ( -0.1781687 0.1781687 0.1781687), wk = 0.0026316 k( 126) = ( -0.1713160 0.1713160 0.1713160), wk = 0.0026316 k( 127) = ( -0.1644634 0.1644634 0.1644634), wk = 0.0026316 k( 128) = ( -0.1576108 0.1576108 0.1576108), wk = 0.0026316 k( 129) = ( -0.1507581 0.1507581 0.1507581), wk = 0.0026316 k( 130) = ( -0.1439055 0.1439055 0.1439055), wk = 0.0026316 k( 131) = ( -0.1370528 0.1370528 0.1370528), wk = 0.0026316 k( 132) = ( -0.1302002 0.1302002 0.1302002), wk = 0.0026316 k( 133) = ( -0.1233476 0.1233476 0.1233476), wk = 0.0026316 k( 134) = ( -0.1164949 0.1164949 0.1164949), wk = 0.0026316 k( 135) = ( -0.1096423 0.1096423 0.1096423), wk = 0.0026316 k( 136) = ( -0.1027896 0.1027896 0.1027896), wk = 0.0026316 k( 137) = ( -0.0959370 0.0959370 0.0959370), wk = 0.0026316 k( 138) = ( -0.0890844 0.0890844 0.0890844), wk = 0.0026316 k( 139) = ( -0.0822317 0.0822317 0.0822317), wk = 0.0026316 k( 140) = ( -0.0753791 0.0753791 0.0753791), wk = 0.0026316 k( 141) = ( -0.0685264 0.0685264 0.0685264), wk = 0.0026316 k( 142) = ( -0.0616738 0.0616738 0.0616738), wk = 0.0026316 k( 143) = ( -0.0548211 0.0548211 0.0548211), wk = 0.0026316 k( 144) = ( -0.0479685 0.0479685 0.0479685), wk = 0.0026316 k( 145) = ( -0.0411159 0.0411159 0.0411159), wk = 0.0026316 k( 146) = ( -0.0342632 0.0342632 0.0342632), wk = 0.0026316 k( 147) = ( -0.0274106 0.0274106 0.0274106), wk = 0.0026316 k( 148) = ( -0.0205579 0.0205579 0.0205579), wk = 0.0026316 k( 149) = ( -0.0137053 0.0137053 0.0137053), wk = 0.0026316 k( 150) = ( -0.0068526 0.0068526 0.0068526), 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) = ( 0.4931589 0.5068411 -0.4931589), wk = 0.0026316 k( 203) = ( 0.4863178 0.5136821 -0.4863178), wk = 0.0026316 k( 204) = ( 0.4794768 0.5205232 -0.4794768), wk = 0.0026316 k( 205) = ( 0.4726357 0.5273643 -0.4726357), wk = 0.0026316 k( 206) = ( 0.4657946 0.5342054 -0.4657946), wk = 0.0026316 k( 207) = ( 0.4589535 0.5410465 -0.4589535), wk = 0.0026316 k( 208) = ( 0.4521125 0.5478875 -0.4521125), wk = 0.0026316 k( 209) = ( 0.4452714 0.5547286 -0.4452714), wk = 0.0026316 k( 210) = ( 0.4384303 0.5615697 -0.4384303), wk = 0.0026316 k( 211) = ( 0.4315892 0.5684108 -0.4315892), wk = 0.0026316 k( 212) = ( 0.4247482 0.5752518 -0.4247482), wk = 0.0026316 k( 213) = ( 0.4179071 0.5820929 -0.4179071), wk = 0.0026316 k( 214) = ( 0.4110660 0.5889340 -0.4110660), wk = 0.0026316 k( 215) = ( 0.4042249 0.5957751 -0.4042249), wk = 0.0026316 k( 216) = ( 0.3973838 0.6026161 -0.3973838), wk = 0.0026316 k( 217) = ( 0.3905428 0.6094572 -0.3905428), wk = 0.0026316 k( 218) = ( 0.3837017 0.6162983 -0.3837017), wk = 0.0026316 k( 219) = ( 0.3768606 0.6231394 -0.3768606), wk = 0.0026316 k( 220) = ( 0.3700195 0.6299805 -0.3700195), wk = 0.0026316 k( 221) = ( 0.3631785 0.6368215 -0.3631785), wk = 0.0026316 k( 222) = ( 0.3563374 0.6436626 -0.3563374), wk = 0.0026316 k( 223) = ( 0.3563374 0.6436626 -0.3563374), wk = 0.0026316 k( 224) = ( 0.3440499 0.6387087 -0.3440499), wk = 0.0026316 k( 225) = ( 0.3317624 0.6337548 -0.3317624), wk = 0.0026316 k( 226) = ( 0.3194749 0.6288010 -0.3194749), wk = 0.0026316 k( 227) = ( 0.3071874 0.6238471 -0.3071874), wk = 0.0026316 k( 228) = ( 0.2948999 0.6188932 -0.2948999), wk = 0.0026316 k( 229) = ( 0.2826124 0.6139393 -0.2826124), wk = 0.0026316 k( 230) = ( 0.2703249 0.6089854 -0.2703249), wk = 0.0026316 k( 231) = ( 0.2580374 0.6040315 -0.2580374), wk = 0.0026316 k( 232) = ( 0.2457499 0.5990777 -0.2457499), wk = 0.0026316 k( 233) = ( 0.2334624 0.5941238 -0.2334624), wk = 0.0026316 k( 234) = ( 0.2211749 0.5891699 -0.2211749), wk = 0.0026316 k( 235) = ( 0.2088874 0.5842160 -0.2088874), wk = 0.0026316 k( 236) = ( 0.1965999 0.5792621 -0.1965999), wk = 0.0026316 k( 237) = ( 0.1843124 0.5743082 -0.1843124), wk = 0.0026316 k( 238) = ( 0.1720250 0.5693544 -0.1720249), wk = 0.0026316 k( 239) = ( 0.1597375 0.5644005 -0.1597375), wk = 0.0026316 k( 240) = ( 0.1474500 0.5594466 -0.1474500), wk = 0.0026316 k( 241) = ( 0.1351625 0.5544927 -0.1351625), wk = 0.0026316 k( 242) = ( 0.1228750 0.5495388 -0.1228750), wk = 0.0026316 k( 243) = ( 0.1105875 0.5445849 -0.1105875), wk = 0.0026316 k( 244) = ( 0.0983000 0.5396311 -0.0983000), wk = 0.0026316 k( 245) = ( 0.0860125 0.5346772 -0.0860125), wk = 0.0026316 k( 246) = ( 0.0737250 0.5297233 -0.0737250), wk = 0.0026316 k( 247) = ( 0.0614375 0.5247694 -0.0614375), wk = 0.0026316 k( 248) = ( 0.0491500 0.5198155 -0.0491500), wk = 0.0026316 k( 249) = ( 0.0368625 0.5148616 -0.0368625), wk = 0.0026316 k( 250) = ( 0.0245750 0.5099078 -0.0245750), wk = 0.0026316 k( 251) = ( 0.0122875 0.5049539 -0.0122875), 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 0.0540540), 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 0.3040540 0.1959459), 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 0.2359795), wk = 0.0026316 k( 293) = ( 0.2651515 0.2651515 0.2219591), wk = 0.0026316 k( 294) = ( 0.2727273 0.2727273 0.2079387), wk = 0.0026316 k( 295) = ( 0.2803030 0.2803030 0.1939182), wk = 0.0026316 k( 296) = ( 0.2878788 0.2878788 0.1798978), wk = 0.0026316 k( 297) = ( 0.2954545 0.2954545 0.1658773), wk = 0.0026316 k( 298) = ( 0.3030303 0.3030303 0.1518569), wk = 0.0026316 k( 299) = ( 0.3106061 0.3106061 0.1378364), wk = 0.0026316 k( 300) = ( 0.3181818 0.3181818 0.1238160), wk = 0.0026316 k( 301) = ( 0.3257576 0.3257576 0.1097955), wk = 0.0026316 k( 302) = ( 0.3333333 0.3333333 0.0957751), wk = 0.0026316 k( 303) = ( 0.3409091 0.3409091 0.0817546), wk = 0.0026316 k( 304) = ( 0.3484849 0.3484848 0.0677342), wk = 0.0026316 k( 305) = ( 0.3560606 0.3560606 0.0537137), wk = 0.0026316 k( 306) = ( 0.3636364 0.3636364 0.0396933), wk = 0.0026316 k( 307) = ( 0.3712121 0.3712121 0.0256728), wk = 0.0026316 k( 308) = ( 0.3787879 0.3787879 0.0116524), wk = 0.0026316 k( 309) = ( 0.3863636 0.3863636 -0.0023681), wk = 0.0026316 k( 310) = ( 0.3939394 0.3939394 -0.0163885), wk = 0.0026316 k( 311) = ( 0.4015151 0.4015151 -0.0304090), wk = 0.0026316 k( 312) = ( 0.4090909 0.4090909 -0.0444294), wk = 0.0026316 k( 313) = ( 0.4166667 0.4166667 -0.0584499), wk = 0.0026316 k( 314) = ( 0.4242424 0.4242424 -0.0724703), wk = 0.0026316 k( 315) = ( 0.4318182 0.4318182 -0.0864908), wk = 0.0026316 k( 316) = ( 0.4393939 0.4393939 -0.1005112), wk = 0.0026316 k( 317) = ( 0.4469697 0.4469697 -0.1145317), wk = 0.0026316 k( 318) = ( 0.4545455 0.4545454 -0.1285521), wk = 0.0026316 k( 319) = ( 0.4621212 0.4621212 -0.1425725), wk = 0.0026316 k( 320) = ( 0.4696970 0.4696970 -0.1565930), wk = 0.0026316 k( 321) = ( 0.4772727 0.4772727 -0.1706134), wk = 0.0026316 k( 322) = ( 0.4848485 0.4848485 -0.1846339), wk = 0.0026316 k( 323) = ( 0.4924242 0.4924242 -0.1986543), wk = 0.0026316 k( 324) = ( 0.5000000 0.5000000 -0.2126748), wk = 0.0026316 k( 325) = ( 0.5000000 0.5000000 -0.2126748), wk = 0.0026316 k( 326) = ( 0.5000000 0.5000000 -0.2222523), wk = 0.0026316 k( 327) = ( 0.5000000 0.5000000 -0.2318298), wk = 0.0026316 k( 328) = ( 0.5000000 0.5000000 -0.2414073), wk = 0.0026316 k( 329) = ( 0.5000000 0.5000000 -0.2509848), wk = 0.0026316 k( 330) = ( 0.5000000 0.5000000 -0.2605623), wk = 0.0026316 k( 331) = ( 0.5000000 0.5000000 -0.2701398), wk = 0.0026316 k( 332) = ( 0.5000000 0.5000000 -0.2797173), wk = 0.0026316 k( 333) = ( 0.5000000 0.5000000 -0.2892948), wk = 0.0026316 k( 334) = ( 0.5000000 0.5000000 -0.2988724), wk = 0.0026316 k( 335) = ( 0.5000000 0.5000000 -0.3084499), wk = 0.0026316 k( 336) = ( 0.5000000 0.5000000 -0.3180274), wk = 0.0026316 k( 337) = ( 0.5000000 0.5000000 -0.3276049), wk = 0.0026316 k( 338) = ( 0.5000000 0.5000000 -0.3371824), wk = 0.0026316 k( 339) = ( 0.5000000 0.5000000 -0.3467599), wk = 0.0026316 k( 340) = ( 0.5000000 0.5000000 -0.3563374), wk = 0.0026316 k( 341) = ( 0.5000000 0.5000000 -0.3659149), wk = 0.0026316 k( 342) = ( 0.5000000 0.5000000 -0.3754924), wk = 0.0026316 k( 343) = ( 0.5000000 0.5000000 -0.3850699), wk = 0.0026316 k( 344) = ( 0.5000000 0.5000000 -0.3946474), wk = 0.0026316 k( 345) = ( 0.5000000 0.5000000 -0.4042249), wk = 0.0026316 k( 346) = ( 0.5000000 0.5000000 -0.4138024), wk = 0.0026316 k( 347) = ( 0.5000000 0.5000000 -0.4233799), wk = 0.0026316 k( 348) = ( 0.5000000 0.5000000 -0.4329574), wk = 0.0026316 k( 349) = ( 0.5000000 0.5000000 -0.4425350), wk = 0.0026316 k( 350) = ( 0.5000000 0.5000000 -0.4521125), wk = 0.0026316 k( 351) = ( 0.5000000 0.5000000 -0.4616900), wk = 0.0026316 k( 352) = ( 0.5000000 0.5000000 -0.4712675), wk = 0.0026316 k( 353) = ( 0.5000000 0.5000000 -0.4808450), wk = 0.0026316 k( 354) = ( 0.5000000 0.5000000 -0.4904225), 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: 41865 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 ( 96, 40) NL pseudopotentials 0.08 Mb ( 48, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 872) G-vector shells 0.00 Mb ( 413) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 96, 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 44.1 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.4 secs Computing kpt #: 5 total cpu time spent up to now is 48.5 secs Computing kpt #: 6 total cpu time spent up to now is 49.7 secs Computing kpt #: 7 total cpu time spent up to now is 50.8 secs Computing kpt #: 8 total cpu time spent up to now is 51.9 secs Computing kpt #: 9 total cpu time spent up to now is 53.0 secs Computing kpt #: 10 total cpu time spent up to now is 54.3 secs Computing kpt #: 11 total cpu time spent up to now is 55.5 secs Computing kpt #: 12 total cpu time spent up to now is 56.7 secs Computing kpt #: 13 total cpu time spent up to now is 57.9 secs Computing kpt #: 14 total cpu time spent up to now is 59.2 secs Computing kpt #: 15 total cpu time spent up to now is 60.4 secs Computing kpt #: 16 total cpu time spent up to now is 61.6 secs Computing kpt #: 17 total cpu time spent up to now is 62.7 secs Computing kpt #: 18 total cpu time spent up to now is 63.9 secs Computing kpt #: 19 total cpu time spent up to now is 65.0 secs Computing kpt #: 20 total cpu time spent up to now is 66.4 secs Computing kpt #: 21 total cpu time spent up to now is 67.6 secs Computing kpt #: 22 total cpu time spent up to now is 68.9 secs Computing kpt #: 23 total cpu time spent up to now is 70.3 secs Computing kpt #: 24 total cpu time spent up to now is 71.5 secs Computing kpt #: 25 total cpu time spent up to now is 72.7 secs Computing kpt #: 26 total cpu time spent up to now is 73.8 secs Computing kpt #: 27 total cpu time spent up to now is 75.0 secs Computing kpt #: 28 total cpu time spent up to now is 76.3 secs Computing kpt #: 29 total cpu time spent up to now is 77.5 secs Computing kpt #: 30 total cpu time spent up to now is 78.7 secs Computing kpt #: 31 total cpu time spent up to now is 80.1 secs Computing kpt #: 32 total cpu time spent up to now is 81.2 secs Computing kpt #: 33 total cpu time spent up to now is 82.6 secs Computing kpt #: 34 total cpu time spent up to now is 83.7 secs Computing kpt #: 35 total cpu time spent up to now is 85.0 secs Computing kpt #: 36 total cpu time spent up to now is 86.3 secs Computing kpt #: 37 total cpu time spent up to now is 87.5 secs Computing kpt #: 38 total cpu time spent up to now is 88.7 secs Computing kpt #: 39 total cpu time spent up to now is 90.0 secs Computing kpt #: 40 total cpu time spent up to now is 91.3 secs Computing kpt #: 41 total cpu time spent up to now is 92.5 secs Computing kpt #: 42 total cpu time spent up to now is 93.7 secs Computing kpt #: 43 total cpu time spent up to now is 95.1 secs Computing kpt #: 44 total cpu time spent up to now is 96.5 secs Computing kpt #: 45 total cpu time spent up to now is 97.8 secs Computing kpt #: 46 total cpu time spent up to now is 99.0 secs Computing kpt #: 47 total cpu time spent up to now is 100.3 secs Computing kpt #: 48 total cpu time spent up to now is 102.3 secs Computing kpt #: 49 total cpu time spent up to now is 103.5 secs Computing kpt #: 50 total cpu time spent up to now is 105.0 secs Computing kpt #: 51 total cpu time spent up to now is 106.3 secs Computing kpt #: 52 total cpu time spent up to now is 107.5 secs Computing kpt #: 53 total cpu time spent up to now is 108.7 secs Computing kpt #: 54 total cpu time spent up to now is 109.9 secs Computing kpt #: 55 total cpu time spent up to now is 111.2 secs Computing kpt #: 56 total cpu time spent up to now is 112.4 secs Computing kpt #: 57 total cpu time spent up to now is 113.7 secs Computing kpt #: 58 total cpu time spent up to now is 114.9 secs Computing kpt #: 59 total cpu time spent up to now is 116.1 secs Computing kpt #: 60 total cpu time spent up to now is 117.5 secs Computing kpt #: 61 total cpu time spent up to now is 118.8 secs Computing kpt #: 62 total cpu time spent up to now is 120.3 secs Computing kpt #: 63 total cpu time spent up to now is 121.5 secs Computing kpt #: 64 total cpu time spent up to now is 122.8 secs Computing kpt #: 65 total cpu time spent up to now is 124.1 secs Computing kpt #: 66 total cpu time spent up to now is 125.4 secs Computing kpt #: 67 total cpu time spent up to now is 127.2 secs Computing kpt #: 68 total cpu time spent up to now is 128.4 secs Computing kpt #: 69 total cpu time spent up to now is 129.6 secs Computing kpt #: 70 total cpu time spent up to now is 130.9 secs Computing kpt #: 71 total cpu time spent up to now is 132.0 secs Computing kpt #: 72 total cpu time spent up to now is 133.2 secs Computing kpt #: 73 total cpu time spent up to now is 134.4 secs Computing kpt #: 74 total cpu time spent up to now is 135.6 secs Computing kpt #: 75 total cpu time spent up to now is 136.7 secs Computing kpt #: 76 total cpu time spent up to now is 137.8 secs Computing kpt #: 77 total cpu time spent up to now is 138.9 secs Computing kpt #: 78 total cpu time spent up to now is 140.0 secs Computing kpt #: 79 total cpu time spent up to now is 141.1 secs Computing kpt #: 80 total cpu time spent up to now is 142.4 secs Computing kpt #: 81 total cpu time spent up to now is 143.6 secs Computing kpt #: 82 total cpu time spent up to now is 144.7 secs Computing kpt #: 83 total cpu time spent up to now is 145.7 secs Computing kpt #: 84 total cpu time spent up to now is 146.8 secs Computing kpt #: 85 total cpu time spent up to now is 147.9 secs Computing kpt #: 86 total cpu time spent up to now is 149.0 secs Computing kpt #: 87 total cpu time spent up to now is 150.3 secs Computing kpt #: 88 total cpu time spent up to now is 151.4 secs Computing kpt #: 89 total cpu time spent up to now is 152.5 secs Computing kpt #: 90 total cpu time spent up to now is 153.6 secs Computing kpt #: 91 total cpu time spent up to now is 154.8 secs Computing kpt #: 92 total cpu time spent up to now is 156.3 secs Computing kpt #: 93 total cpu time spent up to now is 157.6 secs Computing kpt #: 94 total cpu time spent up to now is 158.7 secs Computing kpt #: 95 total cpu time spent up to now is 159.8 secs Computing kpt #: 96 total cpu time spent up to now is 160.9 secs Computing kpt #: 97 total cpu time spent up to now is 162.2 secs Computing kpt #: 98 total cpu time 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Computing kpt #: 144 total cpu time spent up to now is 218.0 secs Computing kpt #: 145 total cpu time spent up to now is 219.3 secs Computing kpt #: 146 total cpu time spent up to now is 220.4 secs Computing kpt #: 147 total cpu time spent up to now is 221.5 secs Computing kpt #: 148 total cpu time spent up to now is 222.6 secs Computing kpt #: 149 total cpu time spent up to now is 223.7 secs Computing kpt #: 150 total cpu time spent up to now is 224.9 secs Computing kpt #: 151 total cpu time spent up to now is 226.1 secs Computing kpt #: 152 total cpu time spent up to now is 227.1 secs Computing kpt #: 153 total cpu time spent up to now is 228.4 secs Computing kpt #: 154 total cpu time spent up to now is 229.6 secs Computing kpt #: 155 total cpu time spent up to now is 230.6 secs Computing kpt #: 156 total cpu time spent up to now is 231.8 secs Computing kpt #: 157 total cpu time spent up to now is 233.0 secs Computing kpt #: 158 total cpu time spent up to now is 234.0 secs Computing kpt #: 159 total cpu time spent up to now is 235.1 secs Computing kpt #: 160 total cpu time spent up to now is 236.2 secs Computing kpt #: 161 total cpu time spent up to now is 237.3 secs Computing kpt #: 162 total cpu time spent up to now is 238.3 secs Computing kpt #: 163 total cpu time spent up to now is 239.6 secs Computing kpt #: 164 total cpu time spent up to now is 240.7 secs Computing kpt #: 165 total cpu time spent up to now is 241.7 secs Computing kpt #: 166 total cpu time spent up to now is 242.8 secs Computing kpt #: 167 total cpu time spent up to now is 243.9 secs Computing kpt #: 168 total cpu time spent up to now is 244.9 secs Computing kpt #: 169 total cpu time spent up to now is 246.1 secs Computing kpt #: 170 total cpu time spent up to now is 247.1 secs Computing kpt #: 171 total cpu time spent up to now is 248.2 secs Computing kpt #: 172 total cpu time spent up to now is 249.2 secs Computing kpt #: 173 total cpu time spent up to now is 250.2 secs Computing kpt #: 174 total cpu time spent up to now is 251.2 secs Computing kpt #: 175 total cpu time spent up to now is 252.2 secs Computing kpt #: 176 total cpu time spent up to now is 253.3 secs Computing kpt #: 177 total cpu time spent up to now is 254.3 secs Computing kpt #: 178 total cpu time spent up to now is 255.3 secs Computing kpt #: 179 total cpu time spent up to now is 256.3 secs Computing kpt #: 180 total cpu time spent up to now is 257.3 secs Computing kpt #: 181 total cpu time spent up to now is 258.3 secs Computing kpt #: 182 total cpu time spent up to now is 259.4 secs Computing kpt #: 183 total cpu time spent up to now is 260.5 secs Computing kpt #: 184 total cpu time spent up to now is 261.5 secs Computing kpt #: 185 total cpu time spent up to now is 262.5 secs Computing kpt #: 186 total cpu time spent up to now is 263.5 secs Computing kpt #: 187 total cpu time spent up to now is 264.5 secs Computing kpt #: 188 total cpu time spent up to now is 265.5 secs Computing kpt #: 189 total cpu time spent up to now is 266.4 secs Computing kpt #: 190 total cpu time spent up to now is 267.6 secs Computing kpt #: 191 total cpu time spent up to now is 268.6 secs Computing kpt #: 192 total cpu time spent up to now is 269.6 secs Computing kpt #: 193 total cpu time spent up to now is 270.7 secs Computing kpt #: 194 total cpu time spent up to now is 271.7 secs Computing kpt #: 195 total cpu time spent up to now is 272.6 secs Computing kpt #: 196 total cpu time spent up to now is 273.6 secs Computing kpt #: 197 total cpu time spent up to now is 274.7 secs Computing kpt #: 198 total cpu time spent up to now is 275.6 secs Computing kpt #: 199 total cpu time spent up to now is 276.6 secs Computing kpt #: 200 total cpu time spent up to now is 277.6 secs Computing kpt #: 201 total cpu time spent up to now is 278.6 secs Computing kpt #: 202 total cpu time spent up to now is 279.7 secs Computing kpt #: 203 total cpu time spent up to now is 280.7 secs Computing kpt #: 204 total cpu time spent up to now is 281.6 secs Computing kpt #: 205 total cpu time spent up to now is 282.7 secs Computing kpt #: 206 total cpu time spent up to now is 283.7 secs Computing kpt #: 207 total cpu time spent up to now is 284.6 secs Computing kpt #: 208 total cpu time spent up to now is 285.5 secs Computing kpt #: 209 total cpu time spent up to now is 286.5 secs Computing kpt #: 210 total cpu time spent up to now is 287.5 secs Computing kpt #: 211 total cpu time spent up to now is 288.6 secs Computing kpt #: 212 total cpu time spent up to now is 289.7 secs Computing kpt #: 213 total cpu time spent up to now is 290.7 secs Computing kpt #: 214 total cpu time spent up to now is 291.6 secs Computing kpt #: 215 total cpu time spent up to now is 292.6 secs Computing kpt #: 216 total cpu time spent up to now is 293.6 secs Computing kpt #: 217 total cpu time spent up to now is 294.7 secs Computing kpt #: 218 total cpu time spent up to now is 295.9 secs Computing kpt #: 219 total cpu time spent up to now is 297.4 secs Computing kpt #: 220 total cpu time spent up to now is 298.4 secs Computing kpt #: 221 total cpu time spent up to now is 299.6 secs Computing kpt #: 222 total cpu time spent up to now is 300.8 secs Computing kpt #: 223 total cpu time spent up to now is 301.9 secs Computing kpt #: 224 total cpu time spent up to now is 303.0 secs Computing kpt #: 225 total cpu time spent up to now is 304.1 secs Computing kpt #: 226 total cpu time spent up to now is 305.2 secs Computing kpt #: 227 total cpu time spent up to now is 306.3 secs Computing kpt #: 228 total cpu time spent up to now is 307.5 secs Computing kpt #: 229 total cpu time spent up to now is 308.7 secs Computing kpt #: 230 total cpu time spent up to now is 310.0 secs Computing kpt #: 231 total cpu time spent up to now is 311.2 secs Computing kpt #: 232 total cpu time spent up to now is 312.3 secs Computing kpt #: 233 total cpu time spent up to now is 313.4 secs Computing kpt #: 234 total cpu time spent up to now is 314.5 secs Computing kpt #: 235 total cpu time spent up to now is 315.7 secs Computing kpt #: 236 total cpu time spent up to now is 316.8 secs Computing kpt #: 237 total cpu time spent up to now is 318.0 secs Computing kpt #: 238 total cpu time spent up to now is 319.1 secs Computing kpt #: 239 total cpu time spent up to now is 320.3 secs Computing kpt #: 240 total cpu time spent up to now is 321.5 secs Computing kpt #: 241 total cpu time spent up to now is 322.6 secs Computing kpt #: 242 total cpu time spent up to now is 323.8 secs Computing kpt #: 243 total cpu time spent up to now is 325.1 secs Computing kpt #: 244 total cpu time spent up to now is 326.3 secs Computing kpt #: 245 total cpu time spent up to now is 327.4 secs Computing kpt #: 246 total cpu time spent up to now is 328.6 secs Computing kpt #: 247 total cpu time spent up to now is 329.7 secs Computing kpt #: 248 total cpu time spent up to now is 331.0 secs Computing kpt #: 249 total cpu time spent up to now is 332.2 secs Computing kpt #: 250 total cpu time spent up to now is 333.3 secs Computing kpt #: 251 total cpu time spent up to now is 334.5 secs Computing kpt #: 252 total cpu time spent up to now is 335.6 secs Computing kpt #: 253 total cpu time spent up to now is 336.8 secs Computing kpt #: 254 total cpu time spent up to now is 338.0 secs Computing kpt #: 255 total cpu time spent up to now is 339.1 secs Computing kpt #: 256 total cpu time spent up to now is 340.3 secs Computing kpt #: 257 total cpu time spent up to now is 341.4 secs Computing kpt #: 258 total cpu time spent up to now is 342.6 secs Computing kpt #: 259 total cpu time spent up to now is 343.8 secs Computing kpt #: 260 total cpu time spent up to now is 345.0 secs Computing kpt #: 261 total cpu time spent up to now is 346.1 secs Computing kpt #: 262 total cpu time spent up to now is 347.3 secs Computing kpt #: 263 total cpu time spent up to now is 348.6 secs Computing kpt #: 264 total cpu time spent up to now is 349.8 secs Computing kpt #: 265 total cpu time spent up to now is 350.9 secs Computing kpt #: 266 total cpu time spent up to now is 352.1 secs Computing kpt #: 267 total cpu time spent up to now is 353.2 secs Computing kpt #: 268 total cpu time spent up to now is 354.5 secs Computing kpt #: 269 total cpu time spent up to now is 355.8 secs Computing kpt #: 270 total cpu time spent up to now is 357.0 secs Computing kpt #: 271 total cpu time spent up to now is 358.1 secs Computing kpt #: 272 total cpu time spent up to now is 359.2 secs Computing kpt #: 273 total cpu time spent up to now is 360.5 secs Computing kpt #: 274 total cpu time spent up to now is 361.8 secs Computing kpt #: 275 total cpu time spent up to now is 363.0 secs Computing kpt #: 276 total cpu time spent up to now is 364.1 secs Computing kpt #: 277 total cpu time spent up to now is 365.2 secs Computing kpt #: 278 total cpu time spent up to now is 366.3 secs Computing kpt #: 279 total cpu time spent up to now is 367.4 secs Computing kpt #: 280 total cpu time spent up to now is 368.5 secs Computing kpt #: 281 total cpu time spent up to now is 369.7 secs Computing kpt #: 282 total cpu time spent up to now is 370.8 secs Computing kpt #: 283 total cpu time spent up to now is 371.8 secs Computing kpt #: 284 total cpu time spent up to now is 373.2 secs Computing kpt #: 285 total cpu time spent up to now is 374.5 secs Computing kpt #: 286 total cpu time spent up to now is 375.6 secs Computing kpt #: 287 total cpu time spent up to now is 376.8 secs Computing kpt #: 288 total cpu time spent up to now is 377.9 secs Computing kpt #: 289 total cpu time spent up to now is 379.0 secs Computing kpt #: 290 total cpu time spent up to now is 380.0 secs Computing kpt #: 291 total cpu time spent up to now is 381.1 secs Computing kpt #: 292 total cpu time spent up to now is 382.3 secs Computing kpt #: 293 total cpu time spent up to now is 383.3 secs Computing kpt #: 294 total cpu time spent up to now is 384.5 secs Computing kpt #: 295 total cpu time spent up to now is 385.7 secs Computing kpt #: 296 total cpu time spent up to now is 386.9 secs Computing kpt #: 297 total cpu time spent up to now is 387.9 secs Computing kpt #: 298 total cpu time spent up to now is 389.0 secs Computing kpt #: 299 total cpu time spent up to now is 390.1 secs Computing kpt #: 300 total cpu time spent up to now is 391.2 secs Computing kpt #: 301 total cpu time spent up to now is 392.2 secs Computing kpt #: 302 total cpu time spent up to now is 393.5 secs Computing kpt #: 303 total cpu time spent up to now is 394.6 secs Computing kpt #: 304 total cpu time spent up to now is 395.7 secs Computing kpt #: 305 total cpu time spent up to now is 396.9 secs Computing kpt #: 306 total cpu time spent up to now is 398.1 secs Computing kpt #: 307 total cpu time spent up to now is 399.2 secs Computing kpt #: 308 total cpu time spent up to now is 400.3 secs Computing kpt #: 309 total cpu time spent up to now is 402.0 secs Computing kpt #: 310 total cpu time spent up to now is 403.9 secs Computing kpt #: 311 total cpu time spent up to now is 405.7 secs Computing kpt #: 312 total cpu time spent up to now is 407.1 secs Computing kpt #: 313 total cpu time spent up to now is 408.5 secs Computing kpt #: 314 total cpu time spent up to now is 409.6 secs Computing kpt #: 315 total cpu time spent up to now is 410.8 secs Computing kpt #: 316 total cpu time spent up to now is 412.0 secs Computing kpt #: 317 total cpu time spent up to now is 413.1 secs Computing kpt #: 318 total cpu time spent up to now is 414.2 secs Computing kpt #: 319 total cpu time spent up to now is 415.4 secs Computing kpt #: 320 total cpu time spent up to now is 416.7 secs Computing kpt #: 321 total cpu time spent up to now is 417.9 secs Computing kpt #: 322 total cpu time spent up to now is 419.0 secs Computing kpt #: 323 total cpu time spent up to now is 420.1 secs Computing kpt #: 324 total cpu time spent up to now is 421.3 secs Computing kpt #: 325 total cpu time spent up to now is 422.4 secs Computing kpt #: 326 total cpu time spent up to now is 423.6 secs Computing kpt #: 327 total cpu time spent up to now is 424.7 secs Computing kpt #: 328 total cpu time spent up to now is 426.0 secs Computing kpt #: 329 total cpu time spent up to now is 427.1 secs Computing kpt #: 330 total cpu time spent up to now is 428.1 secs Computing kpt #: 331 total cpu time spent up to now is 429.2 secs Computing kpt #: 332 total cpu time spent up to now is 430.3 secs Computing kpt #: 333 total cpu time spent up to now is 431.4 secs Computing kpt #: 334 total cpu time spent up to now is 432.4 secs Computing kpt #: 335 total cpu time spent up to now is 433.5 secs Computing kpt #: 336 total cpu time spent up to now is 434.5 secs Computing kpt #: 337 total cpu time spent up to now is 435.6 secs Computing kpt #: 338 total cpu time spent up to now is 436.7 secs Computing kpt #: 339 total cpu time spent up to now is 437.8 secs Computing kpt #: 340 total cpu time spent up to now is 438.9 secs Computing kpt #: 341 total cpu time spent up to now is 440.1 secs Computing kpt #: 342 total cpu time spent up to now is 441.1 secs Computing kpt #: 343 total cpu time spent up to now is 442.2 secs Computing kpt #: 344 total cpu time spent up to now is 443.3 secs Computing kpt #: 345 total cpu time spent up to now is 444.3 secs Computing kpt #: 346 total cpu time spent up to now is 445.4 secs Computing kpt #: 347 total cpu time spent up to now is 446.5 secs Computing kpt #: 348 total cpu time spent up to now is 447.6 secs Computing kpt #: 349 total cpu time spent up to now is 448.4 secs Computing kpt #: 350 total cpu time spent up to now is 449.3 secs Computing kpt #: 351 total cpu time spent up to now is 450.5 secs Computing kpt #: 352 total cpu time spent up to now is 451.6 secs Computing kpt #: 353 total cpu time spent up to now is 452.6 secs Computing kpt #: 354 total cpu time spent up to now is 453.6 secs Computing kpt #: 355 total cpu time spent up to now is 454.6 secs Computing kpt #: 356 total cpu time spent up to now is 455.8 secs Computing kpt #: 357 total cpu time spent up to now is 457.2 secs Computing kpt #: 358 total cpu time spent up to now is 458.8 secs Computing kpt #: 359 total cpu time spent up to now is 460.4 secs Computing kpt #: 360 total cpu time spent up to now is 461.6 secs Computing kpt #: 361 total cpu time spent up to now is 462.7 secs Computing kpt #: 362 total cpu time spent up to now is 463.9 secs Computing kpt #: 363 total cpu time spent up to now is 465.0 secs Computing kpt #: 364 total cpu time spent up to now is 466.1 secs Computing kpt #: 365 total cpu time spent up to now is 467.3 secs Computing kpt #: 366 total cpu time spent up to now is 468.4 secs Computing kpt #: 367 total cpu time spent up to now is 469.5 secs Computing kpt #: 368 total cpu time spent up to now is 470.7 secs Computing kpt #: 369 total cpu time spent up to now is 472.1 secs Computing kpt #: 370 total cpu time spent up to now is 473.3 secs Computing kpt #: 371 total cpu time spent up to now is 474.4 secs Computing kpt #: 372 total cpu time spent up to now is 475.7 secs Computing kpt #: 373 total cpu time spent up to now is 476.8 secs Computing kpt #: 374 total cpu time spent up to now is 477.9 secs Computing kpt #: 375 total cpu time spent up to now is 479.0 secs Computing kpt #: 376 total cpu time spent up to now is 480.1 secs Computing kpt #: 377 total cpu time spent up to now is 481.2 secs Computing kpt #: 378 total cpu time spent up to now is 482.4 secs Computing kpt #: 379 total cpu time spent up to now is 483.9 secs Computing kpt #: 380 total cpu time spent up to now is 485.1 secs ethr = 3.13E-11, avg # of iterations = 33.7 total cpu time spent up to now is 485.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.3019 -18.3019 -14.9276 -14.9276 -14.9221 -14.9221 -14.7205 -14.7205 -7.8672 -7.8672 -4.1151 -4.1151 -4.1087 -4.1087 -3.4509 -3.4509 -0.3613 -0.3613 0.6426 0.6426 1.3227 1.3227 1.7069 1.7069 1.7305 1.7305 1.8611 1.8611 2.7128 2.7128 2.7222 2.7222 10.5700 10.5700 11.5803 11.5803 13.8340 13.8340 13.8621 13.8621 k = 0.0000 0.0000 0.0142 ( 2297 PWs) bands (ev): -18.3013 -18.3013 -14.9283 -14.9281 -14.9227 -14.9226 -14.7208 -14.7206 -7.8660 -7.8660 -4.1156 -4.1152 -4.1088 -4.1087 -3.4501 -3.4495 -0.3620 -0.3617 0.6431 0.6432 1.3227 1.3231 1.7061 1.7063 1.7298 1.7299 1.8602 1.8603 2.7128 2.7129 2.7221 2.7225 10.5726 10.5726 11.5815 11.5821 13.8329 13.8333 13.8611 13.8614 k = 0.0000 0.0000 0.0284 ( 2297 PWs) bands (ev): -18.2997 -18.2997 -14.9306 -14.9303 -14.9239 -14.9238 -14.7213 -14.7209 -7.8624 -7.8624 -4.1182 -4.1172 -4.1077 -4.1073 -3.4471 -3.4459 -0.3640 -0.3633 0.6447 0.6449 1.3230 1.3237 1.7038 1.7042 1.7279 1.7281 1.8574 1.8576 2.7129 2.7132 2.7221 2.7229 10.5803 10.5803 11.5855 11.5866 13.8301 13.8308 13.8586 13.8590 k = 0.0000 0.0000 0.0425 ( 2297 PWs) bands (ev): -18.2969 -18.2969 -14.9353 -14.9348 -14.9251 -14.9249 -14.7221 -14.7216 -7.8565 -7.8565 -4.1236 -4.1222 -4.1044 -4.1037 -3.4419 -3.4402 -0.3671 -0.3661 0.6474 0.6477 1.3234 1.3244 1.6995 1.7002 1.7253 1.7256 1.8529 1.8531 2.7131 2.7136 2.7224 2.7236 10.5931 10.5932 11.5923 11.5940 13.8251 13.8262 13.8547 13.8555 k = 0.0000 0.0000 0.0567 ( 2301 PWs) bands (ev): -18.2931 -18.2931 -14.9424 -14.9418 -14.9262 -14.9259 -14.7233 -14.7225 -7.8482 -7.8482 -4.1315 -4.1297 -4.0991 -4.0982 -3.4346 -3.4324 -0.3714 -0.3701 0.6511 0.6516 1.3238 1.3252 1.6927 1.6940 1.7226 1.7230 1.8465 1.8470 2.7134 2.7140 2.7231 2.7246 10.6110 10.6110 11.6019 11.6042 13.8177 13.8190 13.8502 13.8514 k = 0.0000 0.0000 0.0709 ( 2293 PWs) bands (ev): -18.2882 -18.2881 -14.9516 -14.9509 -14.9274 -14.9269 -14.7247 -14.7238 -7.8376 -7.8375 -4.1415 -4.1395 -4.0921 -4.0910 -3.4254 -3.4226 -0.3769 -0.3752 0.6560 0.6565 1.3239 1.3256 1.6832 1.6854 1.7202 1.7207 1.8386 1.8394 2.7136 2.7145 2.7241 2.7260 10.6338 10.6338 11.6143 11.6172 13.8075 13.8090 13.8454 13.8471 k = 0.0000 0.0000 0.0851 ( 2291 PWs) bands (ev): -18.2821 -18.2821 -14.9628 -14.9620 -14.9287 -14.9281 -14.7265 -14.7254 -7.8246 -7.8246 -4.1535 -4.1512 -4.0835 -4.0821 -3.4144 -3.4111 -0.3835 -0.3815 0.6620 0.6626 1.3232 1.3254 1.6713 1.6746 1.7180 1.7188 1.8291 1.8306 2.7136 2.7148 2.7256 2.7278 10.6614 10.6615 11.6292 11.6327 13.7943 13.7960 13.8406 13.8429 k = 0.0000 0.0000 0.0993 ( 2289 PWs) bands (ev): -18.2750 -18.2750 -14.9761 -14.9752 -14.9301 -14.9294 -14.7285 -14.7274 -7.8094 -7.8094 -4.1674 -4.1647 -4.0733 -4.0717 -3.4017 -3.3980 -0.3912 -0.3889 0.6691 0.6698 1.3213 1.3240 1.6574 1.6618 1.7159 1.7173 1.8185 1.8209 2.7136 2.7152 2.7275 2.7300 10.6938 10.6939 11.6468 11.6508 13.7783 13.7801 13.8359 13.8388 k = 0.0000 0.0000 0.1135 ( 2293 PWs) bands (ev): -18.2668 -18.2668 -14.9912 -14.9903 -14.9317 -14.9309 -14.7310 -14.7297 -7.7920 -7.7919 -4.1828 -4.1800 -4.0615 -4.0597 -3.3875 -3.3834 -0.4000 -0.3974 0.6772 0.6781 1.3177 1.3209 1.6416 1.6475 1.7136 1.7160 1.8071 1.8108 2.7136 2.7154 2.7300 2.7327 10.7307 10.7308 11.6667 11.6714 13.7598 13.7617 13.8314 13.8349 k = 0.0000 0.0000 0.1276 ( 2305 PWs) bands (ev): -18.2576 -18.2575 -15.0081 -15.0072 -14.9335 -14.9325 -14.7338 -14.7324 -7.7723 -7.7723 -4.1998 -4.1967 -4.0482 -4.0462 -3.3720 -3.3676 -0.4100 -0.4070 0.6865 0.6874 1.3117 1.3154 1.6245 1.6320 1.7108 1.7150 1.7955 1.8009 2.7135 2.7156 2.7328 2.7358 10.7719 10.7721 11.6889 11.6942 13.7388 13.7409 13.8272 13.8313 k = 0.0000 0.0000 0.1418 ( 2301 PWs) bands (ev): -18.2472 -18.2472 -15.0269 -15.0259 -14.9355 -14.9344 -14.7369 -14.7354 -7.7505 -7.7504 -4.2181 -4.2149 -4.0334 -4.0312 -3.3553 -3.3505 -0.4209 -0.4176 0.6968 0.6978 1.3026 1.3069 1.6062 1.6155 1.7069 1.7139 1.7849 1.7925 2.7134 2.7158 2.7361 2.7394 10.8174 10.8176 11.7133 11.7193 13.7158 13.7180 13.8233 13.8281 k = 0.0000 0.0000 0.1560 ( 2303 PWs) bands (ev): -18.2358 -18.2358 -15.0473 -15.0463 -14.9375 -14.9363 -14.7403 -14.7387 -7.7266 -7.7265 -4.2377 -4.2343 -4.0172 -4.0147 -3.3375 -3.3324 -0.4329 -0.4293 0.7082 0.7093 1.2900 1.2948 1.5870 1.5979 1.7015 1.7119 1.7764 1.7867 2.7133 2.7160 2.7398 2.7433 10.8668 10.8670 11.7397 11.7463 13.6908 13.6931 13.8200 13.8254 k = 0.0000 0.0000 0.1702 ( 2307 PWs) bands (ev): -18.2234 -18.2234 -15.0695 -15.0685 -14.9398 -14.9385 -14.7441 -14.7424 -7.7006 -7.7005 -4.2584 -4.2550 -3.9995 -3.9968 -3.3188 -3.3134 -0.4457 -0.4418 0.7205 0.7218 1.2734 1.2786 1.5667 1.5791 1.6941 1.7078 1.7720 1.7845 2.7132 2.7162 2.7438 2.7476 10.9200 10.9203 11.7679 11.7752 13.6641 13.6665 13.8172 13.8233 k = 0.0000 0.0000 0.1844 ( 2303 PWs) bands (ev): -18.2099 -18.2099 -15.0932 -15.0922 -14.9421 -14.9407 -14.7482 -14.7464 -7.6727 -7.6726 -4.2802 -4.2767 -3.9804 -3.9775 -3.2994 -3.2936 -0.4595 -0.4553 0.7338 0.7352 1.2527 1.2580 1.5452 1.5587 1.6852 1.7012 1.7727 1.7866 2.7131 2.7164 2.7482 2.7522 10.9768 10.9770 11.7978 11.8057 13.6359 13.6384 13.8153 13.8221 k = 0.0000 0.0000 0.1986 ( 2305 PWs) bands (ev): -18.1954 -18.1954 -15.1185 -15.1175 -14.9446 -14.9431 -14.7526 -14.7508 -7.6428 -7.6427 -4.3030 -4.2994 -3.9600 -3.9569 -3.2792 -3.2732 -0.4740 -0.4695 0.7481 0.7495 1.2278 1.2331 1.5223 1.5365 1.6753 1.6925 1.7786 1.7928 2.7131 2.7166 2.7529 2.7572 11.0367 11.0371 11.8291 11.8377 13.6064 13.6089 13.8144 13.8219 k = 0.0000 0.0000 0.2127 ( 2299 PWs) bands (ev): -18.1799 -18.1799 -15.1452 -15.1442 -14.9472 -14.9456 -14.7574 -14.7554 -7.6110 -7.6109 -4.3267 -4.3230 -3.9383 -3.9350 -3.2584 -3.2522 -0.4893 -0.4844 0.7631 0.7647 1.1991 1.2042 1.4977 1.5120 1.6652 1.6826 1.7888 1.8027 2.7130 2.7168 2.7579 2.7624 11.0997 11.1001 11.8617 11.8710 13.5757 13.5783 13.8147 13.8229 k = 0.0000 0.0000 0.2269 ( 2299 PWs) bands (ev): -18.1634 -18.1634 -15.1734 -15.1724 -14.9499 -14.9482 -14.7624 -14.7603 -7.5774 -7.5773 -4.3512 -4.3475 -3.9153 -3.9118 -3.2372 -3.2308 -0.5052 -0.5000 0.7789 0.7806 1.1668 1.1715 1.4711 1.4852 1.6553 1.6724 1.8026 1.8159 2.7130 2.7170 2.7631 2.7678 11.1654 11.1659 11.8954 11.9054 13.5441 13.5467 13.8163 13.8253 k = 0.0000 0.0000 0.2411 ( 2307 PWs) bands (ev): -18.1459 -18.1459 -15.2029 -15.2019 -14.9527 -14.9509 -14.7677 -14.7655 -7.5421 -7.5419 -4.3766 -4.3729 -3.8911 -3.8874 -3.2157 -3.2090 -0.5216 -0.5161 0.7954 0.7971 1.1313 1.1356 1.4427 1.4562 1.6459 1.6623 1.8194 1.8321 2.7128 2.7171 2.7685 2.7735 11.2336 11.2341 11.9299 11.9406 13.5117 13.5143 13.8194 13.8292 k = 0.0000 0.0000 0.2553 ( 2311 PWs) bands (ev): -18.1275 -18.1274 -15.2336 -15.2327 -14.9556 -14.9537 -14.7732 -14.7710 -7.5050 -7.5049 -4.4027 -4.3990 -3.8658 -3.8619 -3.1939 -3.1869 -0.5384 -0.5327 0.8123 0.8142 1.0932 1.0968 1.4123 1.4250 1.6370 1.6527 1.8387 1.8509 2.7126 2.7172 2.7741 2.7793 11.3039 11.3045 11.9652 11.9766 13.4788 13.4814 13.8242 13.8347 k = 0.0000 0.0000 0.2695 ( 2303 PWs) bands (ev): -18.1081 -18.1080 -15.2656 -15.2647 -14.9585 -14.9565 -14.7790 -14.7767 -7.4664 -7.4663 -4.4296 -4.4258 -3.8394 -3.8353 -3.1719 -3.1647 -0.5555 -0.5495 0.8296 0.8316 1.0528 1.0557 1.3801 1.3918 1.6288 1.6435 1.8602 1.8719 2.7124 2.7172 2.7798 2.7853 11.3760 11.3767 12.0010 12.0131 13.4456 13.4482 13.8308 13.8421 k = 0.0000 0.0000 0.2836 ( 2307 PWs) bands (ev): -18.0878 -18.0877 -15.2987 -15.2979 -14.9614 -14.9594 -14.7849 -14.7826 -7.4263 -7.4261 -4.4571 -4.4534 -3.8121 -3.8077 -3.1499 -3.1425 -0.5727 -0.5665 0.8471 0.8492 1.0106 1.0127 1.3463 1.3570 1.6211 1.6349 1.8836 1.8949 2.7120 2.7170 2.7857 2.7914 11.4495 11.4504 12.0372 12.0499 13.4122 13.4148 13.8392 13.8514 k = 0.0000 0.0000 0.2978 ( 2303 PWs) bands (ev): -18.0666 -18.0665 -15.3329 -15.3321 -14.9644 -14.9622 -14.7911 -14.7887 -7.3846 -7.3845 -4.4853 -4.4816 -3.7837 -3.7791 -3.1279 -3.1203 -0.5901 -0.5835 0.8645 0.8667 0.9668 0.9682 1.3110 1.3208 1.6140 1.6270 1.9086 1.9196 2.7114 2.7167 2.7916 2.7975 11.5243 11.5252 12.0736 12.0870 13.3789 13.3814 13.8496 13.8625 k = 0.0000 0.0000 0.3120 ( 2299 PWs) bands (ev): -18.0445 -18.0444 -15.3681 -15.3673 -14.9674 -14.9651 -14.7974 -14.7949 -7.3416 -7.3415 -4.5142 -4.5106 -3.7545 -3.7497 -3.1060 -3.0983 -0.6073 -0.6005 0.8814 0.8839 0.9220 0.9228 1.2744 1.2834 1.6077 1.6198 1.9349 1.9457 2.7106 2.7161 2.7976 2.8037 11.5998 11.6009 12.1101 12.1242 13.3457 13.3482 13.8618 13.8756 k = 0.0000 0.0000 0.3262 ( 2303 PWs) bands (ev): -18.0215 -18.0214 -15.4042 -15.4035 -14.9704 -14.9681 -14.8039 -14.8014 -7.2973 -7.2971 -4.5438 -4.5401 -3.7245 -3.7195 -3.0844 -3.0765 -0.6243 -0.6172 0.8746 0.8749 0.8999 0.9015 1.2368 1.2449 1.6022 1.6136 1.9623 1.9730 2.7096 2.7153 2.8035 2.8098 11.6757 11.6769 12.1468 12.1614 13.3130 13.3153 13.8760 13.8905 k = 0.0000 0.0000 0.3404 ( 2307 PWs) bands (ev): -17.9977 -17.9977 -15.4412 -15.4404 -14.9734 -14.9709 -14.8106 -14.8079 -7.2517 -7.2516 -4.5739 -4.5704 -3.6938 -3.6886 -3.0631 -3.0550 -0.6409 -0.6336 0.8277 0.8288 0.9151 0.9172 1.1983 1.2058 1.5978 1.6084 1.9906 2.0013 2.7084 2.7143 2.8095 2.8159 11.7515 11.7530 12.1834 12.1986 13.2807 13.2830 13.8920 13.9072 k = 0.0000 0.0000 0.3546 ( 2307 PWs) bands (ev): -17.9732 -17.9731 -15.4789 -15.4782 -14.9763 -14.9738 -14.8173 -14.8146 -7.2050 -7.2048 -4.6047 -4.6012 -3.6625 -3.6571 -3.0422 -3.0340 -0.6571 -0.6495 0.7798 0.7819 0.9299 0.9321 1.1591 1.1662 1.5946 1.6046 2.0196 2.0303 2.7069 2.7130 2.8153 2.8220 11.8269 11.8286 12.2202 12.2359 13.2492 13.2514 13.9096 13.9256 k = 0.0000 0.0000 0.3687 ( 2297 PWs) bands (ev): -17.9478 -17.9478 -15.5173 -15.5166 -14.9792 -14.9766 -14.8241 -14.8213 -7.1572 -7.1570 -4.6362 -4.6327 -3.6306 -3.6251 -3.0218 -3.0134 -0.6725 -0.6647 0.7316 0.7346 0.9432 0.9456 1.1194 1.1263 1.5930 1.6023 2.0492 2.0599 2.7050 2.7114 2.8211 2.8279 11.9012 11.9032 12.2571 12.2732 13.2186 13.2207 13.9286 13.9453 k = 0.0000 0.0000 0.3829 ( 2299 PWs) bands (ev): -17.9218 -17.9217 -15.5563 -15.5557 -14.9820 -14.9794 -14.8310 -14.8281 -7.1083 -7.1081 -4.6683 -4.6649 -3.5983 -3.5926 -3.0021 -2.9936 -0.6872 -0.6791 0.6833 0.6873 0.9548 0.9573 1.0796 1.0866 1.5931 1.6019 2.0790 2.0899 2.7029 2.7094 2.8266 2.8336 11.9741 11.9763 12.2944 12.3107 13.1890 13.1910 13.9488 13.9661 k = 0.0000 0.0000 0.3971 ( 2303 PWs) bands (ev): -17.8950 -17.8949 -15.5958 -15.5952 -14.9847 -14.9821 -14.8379 -14.8350 -7.0585 -7.0583 -4.7010 -4.6977 -3.5657 -3.5598 -2.9831 -2.9744 -0.7008 -0.6925 0.6351 0.6399 0.9638 0.9667 1.0398 1.0475 1.5952 1.6034 2.1090 2.1201 2.7003 2.7072 2.8320 2.8391 12.0448 12.0474 12.3321 12.3487 13.1606 13.1624 13.9697 13.9876 k = 0.0000 0.0000 0.4113 ( 2311 PWs) bands (ev): -17.8676 -17.8676 -15.6358 -15.6352 -14.9874 -14.9846 -14.8448 -14.8419 -7.0079 -7.0077 -4.7343 -4.7311 -3.5329 -3.5268 -2.9649 -2.9561 -0.7134 -0.7049 0.5869 0.5927 0.9683 0.9730 1.0013 1.0107 1.5996 1.6072 2.1390 2.1502 2.6975 2.7046 2.8371 2.8443 12.1128 12.1157 12.3708 12.3873 13.1334 13.1352 13.9911 14.0095 k = 0.0000 0.0000 0.4255 ( 2311 PWs) bands (ev): -17.8397 -17.8396 -15.6761 -15.6756 -14.9899 -14.9871 -14.8517 -14.8487 -6.9564 -6.9562 -4.7684 -4.7652 -3.4999 -3.4936 -2.9476 -2.9387 -0.7247 -0.7160 0.5389 0.5457 0.9556 0.9593 0.9820 0.9882 1.6063 1.6134 2.1688 2.1803 2.6943 2.7016 2.8420 2.8492 12.1774 12.1807 12.4106 12.4268 13.1078 13.1094 14.0123 14.0312 k = 0.0000 0.0000 0.4397 ( 2315 PWs) bands (ev): -17.8111 -17.8110 -15.7167 -15.7162 -14.9923 -14.9895 -14.8586 -14.8556 -6.9042 -6.9041 -4.8030 -4.8000 -3.4670 -3.4605 -2.9313 -2.9223 -0.7346 -0.7256 0.4912 0.4989 0.9201 0.9253 0.9827 0.9850 1.6155 1.6221 2.1982 2.2100 2.6908 2.6984 2.8465 2.8538 12.2378 12.2417 12.4519 12.4676 13.0837 13.0852 14.0329 14.0522 k = 0.0000 0.0000 0.4538 ( 2307 PWs) bands (ev): -17.7821 -17.7820 -15.7574 -15.7569 -14.9946 -14.9918 -14.8654 -14.8624 -6.8514 -6.8513 -4.8384 -4.8354 -3.4341 -3.4274 -2.9161 -2.9070 -0.7429 -0.7338 0.4438 0.4523 0.8831 0.8896 0.9820 0.9832 1.6272 1.6334 2.2271 2.2391 2.6871 2.6950 2.8507 2.8580 12.2937 12.2982 12.4950 12.5099 13.0613 13.0628 14.0523 14.0719 k = 0.0000 0.0000 0.4680 ( 2309 PWs) bands (ev): -17.7527 -17.7526 -15.7982 -15.7977 -14.9968 -14.9939 -14.8722 -14.8691 -6.7981 -6.7979 -4.8744 -4.8715 -3.4014 -3.3946 -2.9020 -2.8928 -0.7496 -0.7402 0.3965 0.4059 0.8472 0.8546 0.9787 0.9794 1.6414 1.6470 2.2551 2.2675 2.6832 2.6914 2.8544 2.8618 12.3449 12.3500 12.5396 12.5534 13.0407 13.0422 14.0699 14.0898 k = 0.0000 0.0000 0.4822 ( 2300 PWs) bands (ev): -17.7230 -17.7229 -15.8389 -15.8385 -14.9988 -14.9958 -14.8789 -14.8757 -6.7443 -6.7441 -4.9111 -4.9083 -3.3691 -3.3621 -2.8891 -2.8799 -0.7544 -0.7448 0.3495 0.3597 0.8130 0.8211 0.9728 0.9733 1.6577 1.6630 2.2822 2.2949 2.6793 2.6878 2.8577 2.8651 12.3914 12.3973 12.5852 12.5978 13.0221 13.0235 14.0851 14.1051 k = 0.0000 0.0000 0.4964 ( 2290 PWs) bands (ev): -17.6930 -17.6929 -15.8795 -15.8791 -15.0006 -14.9976 -14.8854 -14.8823 -6.6900 -6.6899 -4.9485 -4.9458 -3.3371 -3.3301 -2.8774 -2.8682 -0.7573 -0.7475 0.3026 0.3136 0.7807 0.7895 0.9645 0.9649 1.6761 1.6810 2.3079 2.3210 2.6754 2.6843 2.8605 2.8680 12.4338 12.4404 12.6310 12.6425 13.0055 13.0070 14.0973 14.1173 k = 0.0000 0.0000 0.5106 ( 2294 PWs) bands (ev): -17.6628 -17.6627 -15.9198 -15.9194 -15.0022 -14.9993 -14.8918 -14.8887 -6.6355 -6.6354 -4.9866 -4.9840 -3.3058 -3.2986 -2.8671 -2.8578 -0.7581 -0.7482 0.2559 0.2675 0.7507 0.7600 0.9538 0.9544 1.6963 1.7008 2.3321 2.3456 2.6719 2.6811 2.8628 2.8702 12.4727 12.4799 12.6762 12.6866 12.9910 12.9927 14.1057 14.1257 k = 0.0000 0.0000 0.5247 ( 2302 PWs) bands (ev): -17.6326 -17.6325 -15.9596 -15.9592 -15.0037 -15.0007 -14.8980 -14.8949 -6.5808 -6.5806 -5.0254 -5.0230 -3.2751 -3.2678 -2.8581 -2.8489 -0.7568 -0.7466 0.2092 0.2214 0.7232 0.7328 0.9411 0.9421 1.7179 1.7221 2.3544 2.3682 2.6691 2.6785 2.8645 2.8718 12.5086 12.5161 12.7199 12.7295 12.9787 12.9806 14.1102 14.1299 k = 0.0000 0.0000 0.5389 ( 2302 PWs) bands (ev): -17.6025 -17.6024 -15.9989 -15.9985 -15.0050 -15.0020 -14.9041 -14.9010 -6.5259 -6.5258 -5.0649 -5.0625 -3.2452 -3.2377 -2.8505 -2.8413 -0.7532 -0.7429 0.1626 0.1753 0.6983 0.7083 0.9267 0.9280 1.7407 1.7446 2.3745 2.3884 2.6672 2.6768 2.8655 2.8728 12.5420 12.5496 12.7614 12.7704 12.9688 12.9710 14.1102 14.1296 k = 0.0000 0.0000 0.5531 ( 2302 PWs) bands (ev): -17.5726 -17.5725 -16.0373 -16.0370 -15.0061 -15.0032 -14.9099 -14.9069 -6.4710 -6.4709 -5.1050 -5.1028 -3.2161 -3.2086 -2.8443 -2.8351 -0.7473 -0.7367 0.1160 0.1291 0.6764 0.6865 0.9109 0.9125 1.7643 1.7680 2.3919 2.4058 2.6667 2.6763 2.8660 2.8732 12.5730 12.5805 12.8005 12.8091 12.9613 12.9638 14.1057 14.1247 k = 0.0000 0.0000 0.5673 ( 2302 PWs) bands (ev): -17.5431 -17.5430 -16.0749 -16.0746 -15.0070 -15.0041 -14.9155 -14.9125 -6.4162 -6.4160 -5.1458 -5.1437 -3.1880 -3.1805 -2.8394 -2.8302 -0.7389 -0.7282 0.0695 0.0828 0.6574 0.6677 0.8940 0.8959 1.7885 1.7919 2.4063 2.4199 2.6681 2.6774 2.8657 2.8728 12.6017 12.6089 12.8368 12.8452 12.9563 12.9591 14.0967 14.1152 k = 0.0000 0.0000 0.5815 ( 2306 PWs) bands (ev): -17.5142 -17.5141 -16.1113 -16.1110 -15.0078 -15.0049 -14.9209 -14.9179 -6.3616 -6.3614 -5.1872 -5.1853 -3.1610 -3.1534 -2.8359 -2.8268 -0.7281 -0.7173 0.0230 0.0366 0.6415 0.6517 0.8761 0.8784 1.8128 1.8160 2.4174 2.4304 2.6717 2.6804 2.8647 2.8717 12.6279 12.6347 12.8702 12.8787 12.9539 12.9569 14.0836 14.1014 k = 0.0000 0.0000 0.5957 ( 2314 PWs) bands (ev): -17.4861 -17.4861 -16.1463 -16.1460 -15.0083 -15.0055 -14.9259 -14.9230 -6.3074 -6.3071 -5.2292 -5.2273 -3.1352 -3.1276 -2.8337 -2.8248 -0.7148 -0.7038 -0.0233 -0.0096 0.6286 0.6386 0.8576 0.8602 1.8371 1.8400 2.4250 2.4372 2.6775 2.6855 2.8630 2.8698 12.6516 12.6577 12.9008 12.9096 12.9540 12.9569 14.0668 14.0837 k = 0.0000 0.0000 0.6098 ( 2314 PWs) bands (ev): -17.4591 -17.4590 -16.1796 -16.1794 -15.0087 -15.0060 -14.9306 -14.9278 -6.2536 -6.2533 -5.2716 -5.2698 -3.1107 -3.1031 -2.8328 -2.8240 -0.6991 -0.6879 -0.0693 -0.0556 0.6187 0.6285 0.8387 0.8416 1.8609 1.8636 2.4294 2.4404 2.6856 2.6926 2.8605 2.8671 12.6725 12.6780 12.9281 12.9377 12.9570 12.9595 14.0470 14.0630 k = 0.0000 0.0000 0.6240 ( 2318 PWs) bands (ev): -17.4334 -17.4334 -16.2110 -16.2108 -15.0089 -15.0063 -14.9350 -14.9323 -6.2005 -6.2002 -5.3143 -5.3127 -3.0876 -3.0801 -2.8330 -2.8245 -0.6808 -0.6694 -0.1150 -0.1013 0.6116 0.6211 0.8197 0.8229 1.8839 1.8865 2.4308 2.4406 2.6956 2.7014 2.8572 2.8636 12.6907 12.6954 12.9487 12.9576 12.9668 12.9691 14.0251 14.0401 k = 0.0000 0.0000 0.6382 ( 2320 PWs) bands (ev): -17.4094 -17.4094 -16.2400 -16.2398 -15.0089 -15.0066 -14.9389 -14.9365 -6.1484 -6.1481 -5.3571 -5.3556 -3.0659 -3.0587 -2.8343 -2.8261 -0.6600 -0.6485 -0.1602 -0.1465 0.6073 0.6164 0.8009 0.8044 1.9058 1.9081 2.4298 2.4383 2.7069 2.7118 2.8531 2.8593 12.7060 12.7101 12.9582 12.9643 12.9861 12.9917 14.0020 14.0158 k = 0.0000 0.0000 0.6524 ( 2324 PWs) bands (ev): -17.3875 -17.3874 -16.2664 -16.2662 -15.0088 -15.0067 -14.9424 -14.9402 -6.0977 -6.0973 -5.3997 -5.3983 -3.0460 -3.0390 -2.8365 -2.8287 -0.6368 -0.6252 -0.2048 -0.1912 0.6056 0.6141 0.7827 0.7863 1.9262 1.9282 2.4271 2.4342 2.7191 2.7231 2.8482 2.8542 12.7187 12.7221 12.9642 12.9693 13.0078 13.0141 13.9789 13.9913 k = 0.0000 0.0000 0.6666 ( 2324 PWs) bands (ev): -17.3679 -17.3678 -16.2897 -16.2895 -15.0086 -15.0067 -14.9455 -14.9435 -6.0489 -6.0484 -5.4415 -5.4403 -3.0279 -3.0214 -2.8393 -2.8321 -0.6113 -0.5994 -0.2486 -0.2352 0.6060 0.6139 0.7653 0.7690 1.9445 1.9464 2.4233 2.4291 2.7317 2.7350 2.8426 2.8482 12.7290 12.7318 12.9695 12.9738 13.0284 13.0346 13.9567 13.9676 k = 0.0000 0.0000 0.6808 ( 2328 PWs) bands (ev): -17.3512 -17.3511 -16.3095 -16.3093 -15.0084 -15.0068 -14.9480 -14.9464 -6.0028 -6.0024 -5.4818 -5.4807 -3.0119 -3.0061 -2.8425 -2.8361 -0.5834 -0.5714 -0.2915 -0.2782 0.6084 0.6154 0.7492 0.7529 1.9605 1.9621 2.4190 2.4236 2.7440 2.7470 2.8363 2.8416 12.7371 12.7394 12.9741 12.9776 13.0469 13.0525 13.9367 13.9458 k = 0.0000 0.0000 0.6949 ( 2328 PWs) bands (ev): -17.3376 -17.3376 -16.3254 -16.3253 -15.0081 -15.0068 -14.9500 -14.9487 -5.9610 -5.9606 -5.5189 -5.5180 -2.9984 -2.9935 -2.8457 -2.8403 -0.5534 -0.5413 -0.3334 -0.3202 0.6121 0.6181 0.7352 0.7386 1.9737 1.9749 2.4150 2.4184 2.7558 2.7586 2.8296 2.8344 12.7433 12.7450 12.9779 12.9806 13.0626 13.0672 13.9200 13.9271 k = 0.0000 0.0000 0.7091 ( 2328 PWs) bands (ev): -17.3277 -17.3276 -16.3370 -16.3370 -15.0077 -15.0069 -14.9513 -14.9504 -5.9260 -5.9257 -5.5505 -5.5499 -2.9878 -2.9842 -2.8482 -2.8443 -0.5213 -0.5090 -0.3739 -0.3609 0.6164 0.6209 0.7241 0.7269 1.9835 1.9843 2.4118 2.4141 2.7665 2.7690 2.8230 2.8270 12.7477 12.7488 12.9808 12.9827 13.0748 13.0780 13.9076 13.9125 k = 0.0000 0.0000 0.7233 ( 2324 PWs) bands (ev): -17.3216 -17.3216 -16.3441 -16.3441 -15.0074 -15.0070 -14.9520 -14.9516 -5.9017 -5.9015 -5.5727 -5.5723 -2.9807 -2.9788 -2.8496 -2.8475 -0.4874 -0.4750 -0.4128 -0.4001 0.6203 0.6228 0.7170 0.7186 1.9897 1.9901 2.4100 2.4111 2.7751 2.7768 2.8177 2.8203 12.7504 12.7510 12.9828 12.9837 13.0828 13.0845 13.9003 13.9028 k = 0.0000 0.0000 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3195 -16.3465 -16.3465 -15.0072 -15.0072 -14.9521 -14.9521 -5.8927 -5.8927 -5.5807 -5.5807 -2.9776 -2.9776 -2.8493 -2.8493 -0.4533 -0.4533 -0.4361 -0.4361 0.6227 0.6227 0.7151 0.7151 1.9919 1.9919 2.4097 2.4097 2.7793 2.7793 2.8164 2.8164 12.7515 12.7515 12.9838 12.9838 13.0861 13.0861 13.8987 13.8987 k = 0.0000 0.0000 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3195 -16.3465 -16.3465 -15.0072 -15.0072 -14.9521 -14.9521 -5.8927 -5.8927 -5.5807 -5.5807 -2.9776 -2.9776 -2.8493 -2.8493 -0.4533 -0.4533 -0.4361 -0.4361 0.6227 0.6227 0.7151 0.7151 1.9919 1.9919 2.4097 2.4097 2.7793 2.7793 2.8164 2.8164 12.7515 12.7515 12.9838 12.9838 13.0861 13.0861 13.8987 13.8987 k =-0.0097 0.0105 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3195 -16.3466 -16.3464 -15.0072 -15.0072 -14.9524 -14.9521 -5.8921 -5.8920 -5.5803 -5.5799 -2.9782 -2.9776 -2.8501 -2.8496 -0.4581 -0.4508 -0.4390 -0.4316 0.6224 0.6232 0.7149 0.7154 1.9919 1.9921 2.4100 2.4102 2.7762 2.7778 2.8162 2.8183 12.7503 12.7515 12.9835 12.9850 13.0849 13.0857 13.8985 13.8991 k =-0.0193 0.0210 0.7375 ( 2324 PWs) bands (ev): -17.3195 -17.3195 -16.3466 -16.3461 -15.0074 -15.0074 -14.9529 -14.9523 -5.8901 -5.8900 -5.5787 -5.5778 -2.9793 -2.9781 -2.8517 -2.8508 -0.4640 -0.4531 -0.4379 -0.4271 0.6223 0.6238 0.7148 0.7157 1.9920 1.9924 2.4113 2.4117 2.7693 2.7718 2.8173 2.8210 12.7480 12.7502 12.9841 12.9871 13.0819 13.0836 13.8984 13.8997 k =-0.0290 0.0314 0.7375 ( 2316 PWs) bands (ev): -17.3196 -17.3195 -16.3464 -16.3458 -15.0077 -15.0076 -14.9536 -14.9527 -5.8868 -5.8865 -5.5758 -5.5745 -2.9811 -2.9793 -2.8544 -2.8530 -0.4703 -0.4585 -0.4347 -0.4228 0.6223 0.6246 0.7147 0.7162 1.9923 1.9929 2.4135 2.4140 2.7596 2.7626 2.8189 2.8235 12.7445 12.7477 12.9858 12.9901 13.0774 13.0799 13.8986 13.9005 k =-0.0387 0.0419 0.7375 ( 2312 PWs) bands (ev): -17.3196 -17.3196 -16.3462 -16.3454 -15.0081 -15.0080 -14.9544 -14.9533 -5.8821 -5.8818 -5.5716 -5.5699 -2.9834 -2.9810 -2.8579 -2.8561 -0.4771 -0.4649 -0.4311 -0.4189 0.6225 0.6255 0.7147 0.7166 1.9926 1.9935 2.4165 2.4171 2.7479 2.7508 2.8201 2.8253 12.7398 12.7439 12.9887 12.9942 13.0713 13.0745 13.8988 13.9013 k =-0.0483 0.0524 0.7375 ( 2304 PWs) bands (ev): -17.3197 -17.3196 -16.3460 -16.3449 -15.0086 -15.0085 -14.9555 -14.9541 -5.8762 -5.8758 -5.5663 -5.5642 -2.9862 -2.9832 -2.8624 -2.8601 -0.4842 -0.4717 -0.4278 -0.4154 0.6229 0.6266 0.7147 0.7170 1.9931 1.9941 2.4203 2.4210 2.7343 2.7370 2.8206 2.8261 12.7339 12.7388 12.9926 12.9993 13.0636 13.0676 13.8990 13.9021 k =-0.0580 0.0629 0.7375 ( 2304 PWs) bands (ev): -17.3197 -17.3197 -16.3456 -16.3443 -15.0092 -15.0090 -14.9568 -14.9551 -5.8690 -5.8685 -5.5598 -5.5573 -2.9896 -2.9860 -2.8678 -2.8650 -0.4915 -0.4789 -0.4248 -0.4123 0.6235 0.6279 0.7147 0.7175 1.9935 1.9948 2.4248 2.4255 2.7190 2.7215 2.8201 2.8260 12.7267 12.7322 12.9978 13.0055 13.0545 13.0593 13.8991 13.9027 k =-0.0677 0.0734 0.7375 ( 2306 PWs) bands (ev): -17.3198 -17.3198 -16.3452 -16.3437 -15.0099 -15.0097 -14.9583 -14.9563 -5.8605 -5.8600 -5.5522 -5.5493 -2.9936 -2.9894 -2.8740 -2.8707 -0.4989 -0.4862 -0.4221 -0.4095 0.6242 0.6292 0.7147 0.7179 1.9938 1.9953 2.4298 2.4304 2.7024 2.7044 2.8186 2.8249 12.7184 12.7244 13.0040 13.0125 13.0443 13.0497 13.8988 13.9029 k =-0.0773 0.0838 0.7375 ( 2302 PWs) bands (ev): -17.3199 -17.3199 -16.3447 -16.3430 -15.0106 -15.0104 -14.9600 -14.9577 -5.8509 -5.8503 -5.5435 -5.5401 -2.9980 -2.9932 -2.8810 -2.8773 -0.5063 -0.4935 -0.4197 -0.4071 0.6250 0.6306 0.7146 0.7182 1.9939 1.9956 2.4351 2.4356 2.6846 2.6859 2.8163 2.8229 12.7090 12.7153 13.0101 13.0190 13.0346 13.0400 13.8981 13.9026 k =-0.0870 0.0943 0.7375 ( 2306 PWs) bands (ev): -17.3200 -17.3200 -16.3441 -16.3422 -15.0115 -15.0112 -14.9618 -14.9593 -5.8402 -5.8395 -5.5338 -5.5300 -3.0029 -2.9976 -2.8888 -2.8846 -0.5136 -0.5008 -0.4176 -0.4048 0.6260 0.6321 0.7144 0.7184 1.9938 1.9957 2.4403 2.4408 2.6659 2.6665 2.8131 2.8200 12.6985 12.7049 13.0105 13.0162 13.0330 13.0371 13.8968 13.9017 k =-0.0967 0.1048 0.7375 ( 2306 PWs) bands (ev): -17.3202 -17.3201 -16.3434 -16.3414 -15.0124 -15.0121 -14.9638 -14.9610 -5.8283 -5.8276 -5.5230 -5.5188 -3.0083 -3.0024 -2.8973 -2.8927 -0.5208 -0.5079 -0.4156 -0.4028 0.6271 0.6337 0.7142 0.7185 1.9932 1.9953 2.4447 2.4459 2.6462 2.6470 2.8091 2.8164 12.6870 12.6936 12.9990 13.0050 13.0395 13.0464 13.8947 13.9000 k =-0.1063 0.1153 0.7375 ( 2302 PWs) bands (ev): -17.3203 -17.3203 -16.3427 -16.3405 -15.0133 -15.0130 -14.9659 -14.9629 -5.8155 -5.8146 -5.5113 -5.5067 -3.0141 -3.0076 -2.9064 -2.9014 -0.5278 -0.5148 -0.4137 -0.4008 0.6283 0.6353 0.7138 0.7185 1.9920 1.9944 2.4476 2.4498 2.6262 2.6284 2.8046 2.8122 12.6748 12.6814 12.9836 12.9904 13.0506 13.0585 13.8918 13.8974 k =-0.1160 0.1258 0.7375 ( 2298 PWs) bands (ev): -17.3205 -17.3204 -16.3420 -16.3396 -15.0144 -15.0140 -14.9681 -14.9649 -5.8017 -5.8008 -5.4987 -5.4938 -3.0204 -3.0133 -2.9161 -2.9107 -0.5343 -0.5213 -0.4118 -0.3989 0.6296 0.6370 0.7133 0.7182 1.9901 1.9927 2.4477 2.4515 2.6074 2.6115 2.7997 2.8075 12.6620 12.6685 12.9666 12.9739 13.0638 13.0721 13.8878 13.8936 k =-0.1257 0.1363 0.7375 ( 2292 PWs) bands (ev): -17.3207 -17.3206 -16.3412 -16.3387 -15.0154 -15.0151 -14.9704 -14.9670 -5.7871 -5.7861 -5.4853 -5.4800 -3.0269 -3.0194 -2.9263 -2.9205 -0.5405 -0.5273 -0.4099 -0.3970 0.6309 0.6387 0.7126 0.7178 1.9873 1.9901 2.4434 2.4491 2.5916 2.5979 2.7944 2.8026 12.6486 12.6551 12.9485 12.9562 13.0784 13.0869 13.8826 13.8888 k =-0.1353 0.1467 0.7375 ( 2292 PWs) bands (ev): -17.3209 -17.3209 -16.3404 -16.3377 -15.0165 -15.0161 -14.9729 -14.9693 -5.7716 -5.7706 -5.4712 -5.4655 -3.0338 -3.0257 -2.9369 -2.9307 -0.5461 -0.5329 -0.4079 -0.3949 0.6322 0.6403 0.7118 0.7171 1.9833 1.9864 2.4331 2.4405 2.5809 2.5891 2.7890 2.7976 12.6350 12.6413 12.9295 12.9376 13.0941 13.1026 13.8763 13.8826 k =-0.1450 0.1572 0.7375 ( 2290 PWs) bands (ev): -17.3212 -17.3211 -16.3395 -16.3367 -15.0176 -15.0172 -14.9754 -14.9716 -5.7555 -5.7544 -5.4564 -5.4504 -3.0410 -3.0324 -2.9479 -2.9413 -0.5510 -0.5377 -0.4056 -0.3926 0.6336 0.6420 0.7107 0.7163 1.9781 1.9814 2.4160 2.4245 2.5764 2.5860 2.7837 2.7926 12.6212 12.6274 12.9097 12.9182 13.1107 13.1191 13.8686 13.8751 k =-0.1547 0.1677 0.7375 ( 2294 PWs) bands (ev): -17.3215 -17.3214 -16.3386 -16.3357 -15.0187 -15.0183 -14.9780 -14.9740 -5.7388 -5.7376 -5.4411 -5.4347 -3.0485 -3.0394 -2.9591 -2.9522 -0.5552 -0.5419 -0.4030 -0.3900 0.6349 0.6435 0.7094 0.7151 1.9713 1.9749 2.3928 2.4016 2.5777 2.5878 2.7787 2.7878 12.6075 12.6135 12.8894 12.8981 13.1280 13.1363 13.8595 13.8663 k =-0.1643 0.1782 0.7375 ( 2294 PWs) bands (ev): -17.3218 -17.3217 -16.3377 -16.3346 -15.0198 -15.0194 -14.9806 -14.9765 -5.7215 -5.7202 -5.4252 -5.4185 -3.0561 -3.0466 -2.9705 -2.9633 -0.5586 -0.5452 -0.4000 -0.3870 0.6362 0.6450 0.7079 0.7138 1.9628 1.9666 2.3645 2.3732 2.5833 2.5934 2.7741 2.7835 12.5939 12.5998 12.8688 12.8777 13.1459 13.1540 13.8491 13.8560 k =-0.1740 0.1887 0.7375 ( 2294 PWs) bands (ev): -17.3222 -17.3221 -16.3368 -16.3336 -15.0209 -15.0204 -14.9833 -14.9790 -5.7039 -5.7025 -5.4089 -5.4019 -3.0638 -3.0539 -2.9820 -2.9745 -0.5610 -0.5477 -0.3966 -0.3835 0.6375 0.6464 0.7062 0.7122 1.9524 1.9565 2.3324 2.3408 2.5916 2.6017 2.7701 2.7798 12.5807 12.5864 12.8480 12.8571 13.1640 13.1721 13.8372 13.8443 k =-0.1837 0.1991 0.7375 ( 2298 PWs) bands (ev): -17.3226 -17.3225 -16.3359 -16.3326 -15.0220 -15.0215 -14.9860 -14.9816 -5.6859 -5.6845 -5.3923 -5.3850 -3.0716 -3.0614 -2.9935 -2.9857 -0.5625 -0.5491 -0.3925 -0.3795 0.6386 0.6477 0.7043 0.7103 1.9400 1.9442 2.2973 2.3053 2.6019 2.6118 2.7669 2.7768 12.5679 12.5736 12.8271 12.8364 13.1824 13.1902 13.8239 13.8311 k =-0.1933 0.2096 0.7375 ( 2294 PWs) bands (ev): -17.3230 -17.3229 -16.3350 -16.3316 -15.0231 -15.0225 -14.9886 -14.9841 -5.6677 -5.6662 -5.3754 -5.3679 -3.0794 -3.0689 -3.0048 -2.9969 -0.5630 -0.5495 -0.3878 -0.3747 0.6396 0.6488 0.7023 0.7083 1.9253 1.9298 2.2596 2.2674 2.6135 2.6231 2.7646 2.7748 12.5558 12.5614 12.8065 12.8159 13.2007 13.2083 13.8093 13.8166 k =-0.2030 0.2201 0.7375 ( 2290 PWs) bands (ev): -17.3235 -17.3234 -16.3341 -16.3306 -15.0241 -15.0235 -14.9913 -14.9867 -5.6493 -5.6478 -5.3584 -5.3507 -3.0871 -3.0764 -3.0160 -3.0079 -0.5623 -0.5488 -0.3824 -0.3693 0.6405 0.6498 0.7000 0.7060 1.9084 1.9130 2.2199 2.2273 2.6260 2.6354 2.7633 2.7736 12.5445 12.5500 12.7861 12.7956 13.2187 13.2261 13.7932 13.8007 k =-0.2127 0.2306 0.7375 ( 2290 PWs) bands (ev): -17.3240 -17.3239 -16.3332 -16.3297 -15.0251 -15.0245 -14.9939 -14.9893 -5.6310 -5.6294 -5.3414 -5.3334 -3.0948 -3.0839 -3.0270 -3.0188 -0.5604 -0.5469 -0.3761 -0.3631 0.6412 0.6506 0.6975 0.7036 1.8890 1.8937 2.1783 2.1855 2.6391 2.6483 2.7632 2.7736 12.5340 12.5394 12.7663 12.7759 13.2363 13.2435 13.7759 13.7834 k =-0.2127 0.2306 0.7375 ( 2290 PWs) bands (ev): -17.3240 -17.3239 -16.3332 -16.3297 -15.0251 -15.0245 -14.9939 -14.9893 -5.6310 -5.6294 -5.3414 -5.3334 -3.0948 -3.0839 -3.0270 -3.0188 -0.5604 -0.5469 -0.3761 -0.3631 0.6412 0.6506 0.6975 0.7036 1.8890 1.8937 2.1783 2.1855 2.6391 2.6483 2.7632 2.7736 12.5340 12.5394 12.7663 12.7759 13.2363 13.2435 13.7759 13.7834 k =-0.2195 0.2380 0.7274 ( 2292 PWs) bands (ev): -17.3249 -17.3248 -16.3320 -16.3284 -15.0233 -15.0226 -14.9980 -14.9934 -5.6247 -5.6231 -5.3223 -5.3142 -3.0878 -3.0767 -3.0480 -3.0400 -0.5733 -0.5603 -0.3538 -0.3409 0.6535 0.6609 0.6835 0.6895 1.8666 1.8715 2.1572 2.1643 2.6482 2.6579 2.7620 2.7727 12.5252 12.5307 12.7413 12.7505 13.2488 13.2559 13.7752 13.7834 k =-0.2264 0.2454 0.7173 ( 2294 PWs) bands (ev): -17.3269 -17.3268 -16.3296 -16.3260 -15.0215 -15.0205 -15.0018 -14.9974 -5.6261 -5.6244 -5.2958 -5.2878 -3.0819 -3.0739 -3.0655 -3.0609 -0.5854 -0.5730 -0.3302 -0.3177 0.6575 0.6633 0.6765 0.6869 1.8432 1.8483 2.1351 2.1421 2.6565 2.6666 2.7617 2.7728 12.5130 12.5188 12.7191 12.7279 13.2623 13.2692 13.7755 13.7842 k =-0.2332 0.2528 0.7072 ( 2296 PWs) bands (ev): -17.3298 -17.3297 -16.3262 -16.3226 -15.0198 -15.0183 -15.0053 -15.0012 -5.6332 -5.6314 -5.2641 -5.2561 -3.0940 -3.0888 -3.0699 -3.0610 -0.5966 -0.5847 -0.3059 -0.2936 0.6450 0.6514 0.6879 0.6988 1.8191 1.8243 2.1120 2.1190 2.6636 2.6742 2.7624 2.7737 12.4973 12.5036 12.7002 12.7085 13.2765 13.2832 13.7767 13.7859 k =-0.2400 0.2603 0.6971 ( 2288 PWs) bands (ev): -17.3335 -17.3335 -16.3220 -16.3184 -15.0186 -15.0161 -15.0081 -15.0045 -5.6442 -5.6422 -5.2289 -5.2211 -3.1170 -3.1107 -3.0646 -3.0542 -0.6067 -0.5953 -0.2809 -0.2689 0.6297 0.6359 0.7038 0.7143 1.7945 1.7998 2.0882 2.0951 2.6696 2.6807 2.7640 2.7754 12.4784 12.4852 12.6848 12.6927 13.2911 13.2976 13.7785 13.7881 k =-0.2469 0.2677 0.6870 ( 2287 PWs) bands (ev): -17.3379 -17.3378 -16.3171 -16.3135 -15.0188 -15.0142 -15.0098 -15.0066 -5.6575 -5.6553 -5.1919 -5.1842 -3.1406 -3.1342 -3.0581 -3.0473 -0.6157 -0.6049 -0.2554 -0.2437 0.6140 0.6199 0.7211 0.7312 1.7698 1.7751 2.0636 2.0705 2.6744 2.6858 2.7665 2.7778 12.4570 12.4644 12.6727 12.6802 13.3060 13.3122 13.7808 13.7907 k =-0.2537 0.2751 0.6769 ( 2289 PWs) bands (ev): -17.3427 -17.3426 -16.3117 -16.3081 -15.0207 -15.0149 -15.0093 -15.0063 -5.6722 -5.6698 -5.1540 -5.1464 -3.1644 -3.1583 -3.0516 -3.0406 -0.6237 -0.6133 -0.2295 -0.2183 0.5980 0.6036 0.7391 0.7490 1.7450 1.7504 2.0386 2.0455 2.6783 2.6899 2.7696 2.7806 12.4340 12.4418 12.6633 12.6706 13.3209 13.3269 13.7833 13.7935 k =-0.2606 0.2825 0.6668 ( 2287 PWs) bands (ev): -17.3478 -17.3478 -16.3060 -16.3023 -15.0234 -15.0176 -15.0070 -15.0044 -5.6875 -5.6850 -5.1160 -5.1085 -3.1884 -3.1825 -3.0452 -3.0341 -0.6307 -0.6207 -0.2035 -0.1926 0.5820 0.5872 0.7578 0.7674 1.7206 1.7259 2.0133 2.0201 2.6813 2.6929 2.7732 2.7837 12.4101 12.4183 12.6562 12.6634 13.3358 13.3415 13.7858 13.7962 k =-0.2674 0.2899 0.6568 ( 2291 PWs) bands (ev): -17.3532 -17.3531 -16.3000 -16.2964 -15.0264 -15.0207 -15.0043 -15.0019 -5.7030 -5.7003 -5.0785 -5.0711 -3.2122 -3.2067 -3.0389 -3.0277 -0.6366 -0.6271 -0.1773 -0.1669 0.5658 0.5707 0.7769 0.7864 1.6968 1.7020 1.9877 1.9945 2.6836 2.6952 2.7770 2.7870 12.3862 12.3947 12.6509 12.6580 13.3504 13.3558 13.7881 13.7986 k =-0.2742 0.2973 0.6467 ( 2285 PWs) bands (ev): -17.3586 -17.3586 -16.2941 -16.2904 -15.0293 -15.0237 -15.0015 -14.9991 -5.7182 -5.7155 -5.0420 -5.0347 -3.2358 -3.2307 -3.0329 -3.0216 -0.6416 -0.6325 -0.1513 -0.1413 0.5496 0.5541 0.7964 0.8056 1.6738 1.6789 1.9621 1.9689 2.6855 2.6968 2.7808 2.7901 12.3629 12.3716 12.6470 12.6542 13.3647 13.3699 13.7900 13.8007 k =-0.2811 0.3048 0.6366 ( 2283 PWs) bands (ev): -17.3640 -17.3639 -16.2881 -16.2845 -15.0322 -15.0267 -14.9986 -14.9962 -5.7330 -5.7301 -5.0068 -4.9995 -3.2590 -3.2542 -3.0270 -3.0156 -0.6457 -0.6370 -0.1255 -0.1160 0.5334 0.5374 0.8158 0.8250 1.6519 1.6569 1.9366 1.9434 2.6869 2.6980 2.7845 2.7931 12.3406 12.3495 12.6443 12.6515 13.3786 13.3835 13.7913 13.8020 k =-0.2879 0.3122 0.6265 ( 2285 PWs) bands (ev): -17.3692 -17.3692 -16.2824 -16.2788 -15.0349 -15.0296 -14.9958 -14.9933 -5.7470 -5.7441 -4.9732 -4.9661 -3.2814 -3.2771 -3.0214 -3.0100 -0.6490 -0.6406 -0.1002 -0.0913 0.5171 0.5206 0.8352 0.8443 1.6314 1.6363 1.9113 1.9182 2.6880 2.6989 2.7879 2.7958 12.3197 12.3288 12.6425 12.6498 13.3920 13.3967 13.7917 13.8025 k =-0.2948 0.3196 0.6164 ( 2283 PWs) bands (ev): -17.3742 -17.3742 -16.2769 -16.2734 -15.0375 -15.0323 -14.9930 -14.9905 -5.7601 -5.7571 -4.9417 -4.9347 -3.3028 -3.2990 -3.0161 -3.0046 -0.6514 -0.6433 -0.0758 -0.0674 0.5011 0.5040 0.8543 0.8633 1.6125 1.6172 1.8866 1.8935 2.6889 2.6995 2.7910 2.7982 12.3006 12.3098 12.6415 12.6490 13.4048 13.4093 13.7912 13.8020 k =-0.3016 0.3270 0.6063 ( 2286 PWs) bands (ev): -17.3789 -17.3788 -16.2718 -16.2683 -15.0400 -15.0348 -14.9903 -14.9877 -5.7721 -5.7691 -4.9125 -4.9056 -3.3231 -3.3198 -3.0111 -2.9996 -0.6530 -0.6453 -0.0524 -0.0447 0.4853 0.4876 0.8728 0.8817 1.5955 1.6001 1.8625 1.8695 2.6896 2.7000 2.7938 2.8002 12.2835 12.2926 12.6412 12.6488 13.4171 13.4214 13.7895 13.8004 k =-0.3084 0.3344 0.5962 ( 2280 PWs) bands (ev): -17.3832 -17.3831 -16.2672 -16.2636 -15.0422 -15.0372 -14.9878 -14.9850 -5.7829 -5.7799 -4.8859 -4.8791 -3.3419 -3.3391 -3.0063 -2.9948 -0.6538 -0.6464 -0.0306 -0.0236 0.4701 0.4716 0.8906 0.8994 1.5807 1.5850 1.8393 1.8463 2.6903 2.7004 2.7962 2.8019 12.2684 12.2777 12.6416 12.6493 13.4288 13.4328 13.7866 13.7974 k =-0.3153 0.3418 0.5861 ( 2279 PWs) bands (ev): -17.3870 -17.3870 -16.2630 -16.2594 -15.0443 -15.0394 -14.9854 -14.9825 -5.7924 -5.7893 -4.8623 -4.8556 -3.3590 -3.3568 -3.0019 -2.9904 -0.6540 -0.6468 -0.0107 -0.0046 0.4558 0.4564 0.9072 0.9160 1.5682 1.5724 1.8172 1.8243 2.6909 2.7007 2.7982 2.8032 12.2557 12.2649 12.6426 12.6504 13.4398 13.4436 13.7822 13.7931 k =-0.3221 0.3493 0.5760 ( 2279 PWs) bands (ev): -17.3903 -17.3903 -16.2593 -16.2558 -15.0462 -15.0415 -14.9832 -14.9801 -5.8006 -5.7974 -4.8419 -4.8354 -3.3741 -3.3725 -2.9979 -2.9864 -0.6534 -0.6465 0.0065 0.0118 0.4425 0.4429 0.9226 0.9313 1.5583 1.5623 1.7965 1.8037 2.6914 2.7010 2.7999 2.8042 12.2453 12.2546 12.6440 12.6520 13.4503 13.4538 13.7763 13.7872 k =-0.3290 0.3567 0.5659 ( 2280 PWs) bands (ev): -17.3931 -17.3931 -16.2563 -16.2528 -15.0480 -15.0433 -14.9813 -14.9780 -5.8072 -5.8041 -4.8250 -4.8186 -3.3872 -3.3858 -2.9943 -2.9828 -0.6522 -0.6455 0.0205 0.0248 0.4304 0.4319 0.9363 0.9450 1.5511 1.5550 1.7774 1.7847 2.6919 2.7013 2.8012 2.8049 12.2373 12.2466 12.6460 12.6540 13.4601 13.4634 13.7689 13.7797 k =-0.3358 0.3641 0.5559 ( 2280 PWs) bands (ev): -17.3953 -17.3953 -16.2539 -16.2504 -15.0495 -15.0450 -14.9795 -14.9761 -5.8124 -5.8092 -4.8119 -4.8055 -3.3979 -3.3965 -2.9910 -2.9796 -0.6504 -0.6438 0.0305 0.0337 0.4206 0.4233 0.9481 0.9567 1.5469 1.5506 1.7602 1.7677 2.6923 2.7015 2.8022 2.8052 12.2318 12.2411 12.6484 12.6565 13.4693 13.4724 13.7598 13.7707 k =-0.3427 0.3715 0.5458 ( 2280 PWs) bands (ev): -17.3969 -17.3969 -16.2521 -16.2486 -15.0508 -15.0465 -14.9781 -14.9745 -5.8159 -5.8127 -4.8026 -4.7964 -3.4062 -3.4044 -2.9881 -2.9767 -0.6479 -0.6414 0.0357 0.0381 0.4138 0.4178 0.9576 0.9662 1.5457 1.5493 1.7452 1.7528 2.6928 2.7017 2.8029 2.8054 12.2288 12.2381 12.6512 12.6594 13.4780 13.4809 13.7490 13.7600 k =-0.3495 0.3789 0.5357 ( 2281 PWs) bands (ev): -17.3979 -17.3979 -16.2510 -16.2475 -15.0519 -15.0478 -14.9769 -14.9732 -5.8178 -5.8146 -4.7975 -4.7913 -3.4118 -3.4095 -2.9857 -2.9744 -0.6449 -0.6385 0.0357 0.0376 0.4104 0.4156 0.9648 0.9732 1.5477 1.5511 1.7327 1.7403 2.6932 2.7019 2.8032 2.8053 12.2283 12.2375 12.6544 12.6627 13.4860 13.4888 13.7366 13.7476 k =-0.3563 0.3863 0.5256 ( 2285 PWs) bands (ev): -17.3982 -17.3982 -16.2506 -16.2471 -15.0528 -15.0488 -14.9760 -14.9721 -5.8182 -5.8149 -4.7965 -4.7904 -3.4147 -3.4116 -2.9836 -2.9724 -0.6412 -0.6349 0.0302 0.0322 0.4105 0.4168 0.9693 0.9776 1.5527 1.5560 1.7227 1.7305 2.6937 2.7020 2.8033 2.8051 12.2303 12.2394 12.6579 12.6663 13.4935 13.4961 13.7226 13.7337 k =-0.3563 0.3863 0.5256 ( 2285 PWs) bands (ev): -17.3982 -17.3982 -16.2506 -16.2471 -15.0528 -15.0488 -14.9760 -14.9721 -5.8182 -5.8149 -4.7965 -4.7904 -3.4147 -3.4116 -2.9836 -2.9724 -0.6412 -0.6349 0.0302 0.0322 0.4105 0.4168 0.9693 0.9776 1.5527 1.5560 1.7227 1.7305 2.6937 2.7020 2.8033 2.8051 12.2303 12.2394 12.6579 12.6663 13.4935 13.4961 13.7226 13.7337 k =-0.3495 0.3789 0.5155 ( 2281 PWs) bands (ev): -17.4098 -17.4098 -16.2372 -16.2336 -15.0527 -15.0487 -14.9709 -14.9669 -5.8653 -5.8620 -4.7688 -4.7626 -3.4378 -3.4346 -2.9744 -2.9630 -0.6588 -0.6525 0.0148 0.0165 0.4384 0.4446 0.9790 0.9875 1.5769 1.5801 1.7788 1.7865 2.6697 2.6783 2.7932 2.7949 12.2036 12.2129 12.6644 12.6728 13.5144 13.5175 13.7548 13.7663 k =-0.3426 0.3715 0.5054 ( 2283 PWs) bands (ev): -17.4227 -17.4226 -16.2222 -16.2186 -15.0523 -15.0482 -14.9657 -14.9615 -5.9136 -5.9103 -4.7412 -4.7348 -3.4615 -3.4581 -2.9657 -2.9541 -0.6742 -0.6678 0.0017 0.0033 0.4672 0.4731 0.9888 0.9976 1.5991 1.6023 1.8336 1.8411 2.6451 2.6538 2.7831 2.7848 12.1776 12.1873 12.6716 12.6799 13.5339 13.5374 13.7858 13.7975 k =-0.3358 0.3641 0.4953 ( 2279 PWs) bands (ev): -17.4368 -17.4367 -16.2058 -16.2022 -15.0517 -15.0475 -14.9603 -14.9560 -5.9628 -5.9596 -4.7136 -4.7072 -3.4854 -3.4820 -2.9574 -2.9457 -0.6874 -0.6809 -0.0089 -0.0075 0.4966 0.5024 0.9989 1.0078 1.6193 1.6226 1.8868 1.8942 2.6198 2.6287 2.7731 2.7749 12.1526 12.1626 12.6793 12.6875 13.5515 13.5554 13.8153 13.8271 k =-0.3289 0.3566 0.4852 ( 2285 PWs) bands (ev): -17.4521 -17.4520 -16.1878 -16.1842 -15.0507 -15.0465 -14.9547 -14.9503 -6.0130 -6.0099 -4.6863 -4.6798 -3.5097 -3.5061 -2.9498 -2.9380 -0.6984 -0.6918 -0.0169 -0.0157 0.5267 0.5323 1.0090 1.0182 1.6375 1.6408 1.9381 1.9454 2.5943 2.6032 2.7634 2.7651 12.1286 12.1388 12.6874 12.6955 13.5667 13.5711 13.8429 13.8549 k =-0.3221 0.3492 0.4750 ( 2285 PWs) bands (ev): -17.4686 -17.4685 -16.1684 -16.1647 -15.0495 -15.0453 -14.9490 -14.9445 -6.0640 -6.0609 -4.6595 -4.6529 -3.5342 -3.5305 -2.9428 -2.9309 -0.7074 -0.7006 -0.0220 -0.0210 0.5574 0.5628 1.0191 1.0286 1.6536 1.6571 1.9872 1.9943 2.5688 2.5776 2.7540 2.7557 12.1055 12.1160 12.6960 12.7040 13.5792 13.5840 13.8683 13.8804 k =-0.3152 0.3418 0.4649 ( 2287 PWs) bands (ev): -17.4862 -17.4861 -16.1474 -16.1438 -15.0481 -15.0438 -14.9432 -14.9385 -6.1156 -6.1126 -4.6331 -4.6265 -3.5589 -3.5551 -2.9365 -2.9246 -0.7144 -0.7075 -0.0242 -0.0234 0.5885 0.5938 1.0293 1.0390 1.6677 1.6713 2.0337 2.0406 2.5437 2.5524 2.7450 2.7467 12.0836 12.0943 12.7050 12.7129 13.5883 13.5936 13.8913 13.9035 k =-0.3084 0.3343 0.4548 ( 2291 PWs) bands (ev): -17.5049 -17.5048 -16.1251 -16.1214 -15.0463 -15.0420 -14.9372 -14.9324 -6.1679 -6.1649 -4.6075 -4.6008 -3.5837 -3.5797 -2.9310 -2.9190 -0.7196 -0.7125 -0.0233 -0.0227 0.6199 0.6251 1.0394 1.0493 1.6796 1.6833 2.0770 2.0835 2.5196 2.5280 2.7365 2.7382 12.0626 12.0737 12.7143 12.7221 13.5937 13.5994 13.9116 13.9238 k =-0.3015 0.3269 0.4447 ( 2287 PWs) bands (ev): -17.5247 -17.5246 -16.1013 -16.0976 -15.0443 -15.0400 -14.9311 -14.9262 -6.2206 -6.2177 -4.5825 -4.5758 -3.6085 -3.6044 -2.9263 -2.9143 -0.7230 -0.7158 -0.0192 -0.0187 0.6515 0.6566 1.0494 1.0596 1.6893 1.6933 2.1164 2.1223 2.4973 2.5053 2.7287 2.7303 12.0427 12.0540 12.7240 12.7316 13.5947 13.6008 13.9289 13.9410 k =-0.2947 0.3195 0.4346 ( 2287 PWs) bands (ev): -17.5453 -17.5452 -16.0762 -16.0725 -15.0421 -15.0378 -14.9249 -14.9199 -6.2737 -6.2709 -4.5583 -4.5516 -3.6333 -3.6291 -2.9225 -2.9105 -0.7249 -0.7175 -0.0118 -0.0113 0.6832 0.6883 1.0592 1.0697 1.6970 1.7011 2.1508 2.1559 2.4781 2.4852 2.7217 2.7232 12.0238 12.0353 12.7339 12.7414 13.5909 13.5972 13.9430 13.9550 k =-0.2878 0.3120 0.4245 ( 2287 PWs) bands (ev): -17.5669 -17.5668 -16.0497 -16.0461 -15.0397 -15.0353 -14.9186 -14.9135 -6.3271 -6.3244 -4.5350 -4.5283 -3.6579 -3.6536 -2.9196 -2.9077 -0.7254 -0.7179 -0.0010 -0.0004 0.7148 0.7199 1.0688 1.0797 1.7025 1.7068 2.1787 2.1825 2.4635 2.4693 2.7156 2.7170 12.0057 12.0175 12.7442 12.7514 13.5815 13.5881 13.9539 13.9657 k =-0.2810 0.3046 0.4144 ( 2287 PWs) bands (ev): -17.5892 -17.5890 -16.0221 -16.0184 -15.0370 -15.0326 -14.9122 -14.9071 -6.3807 -6.3781 -4.5126 -4.5059 -3.6824 -3.6780 -2.9178 -2.9059 -0.7245 -0.7169 0.0134 0.0140 0.7462 0.7513 1.0783 1.0896 1.7059 1.7103 2.1984 2.2005 2.4553 2.4593 2.7106 2.7118 11.9883 12.0003 12.7547 12.7618 13.5661 13.5728 13.9616 13.9733 k =-0.2741 0.2972 0.4043 ( 2285 PWs) bands (ev): -17.6122 -17.6120 -15.9933 -15.9897 -15.0341 -15.0298 -14.9057 -14.9005 -6.4345 -6.4320 -4.4911 -4.4844 -3.7067 -3.7022 -2.9170 -2.9051 -0.7226 -0.7149 0.0313 0.0321 0.7770 0.7823 1.0876 1.0994 1.7072 1.7119 2.2078 2.2092 2.4547 2.4565 2.7070 2.7079 11.9716 11.9838 12.7656 12.7724 13.5441 13.5508 13.9666 13.9779 k =-0.2673 0.2898 0.3942 ( 2289 PWs) bands (ev): -17.6358 -17.6356 -15.9634 -15.9598 -15.0311 -15.0267 -14.8991 -14.8939 -6.4883 -6.4859 -4.4705 -4.4638 -3.7306 -3.7260 -2.9173 -2.9054 -0.7196 -0.7118 0.0528 0.0537 0.8071 0.8125 1.0969 1.1092 1.7066 1.7116 2.2062 2.2093 2.4609 2.4615 2.7048 2.7055 11.9553 11.9676 12.7768 12.7834 13.5152 13.5218 13.9691 13.9800 k =-0.2604 0.2823 0.3841 ( 2297 PWs) bands (ev): -17.6598 -17.6597 -15.9325 -15.9289 -15.0278 -15.0236 -14.8925 -14.8873 -6.5421 -6.5398 -4.4508 -4.4442 -3.7543 -3.7496 -2.9187 -2.9069 -0.7158 -0.7079 0.0779 0.0789 0.8359 0.8416 1.1063 1.1192 1.7043 1.7094 2.1968 2.2015 2.4712 2.4730 2.7044 2.7048 11.9391 11.9515 12.7884 12.7947 13.4790 13.4856 13.9697 13.9801 k =-0.2535 0.2749 0.3740 ( 2301 PWs) bands (ev): -17.6844 -17.6842 -15.9007 -15.8971 -15.0245 -15.0202 -14.8859 -14.8806 -6.5958 -6.5936 -4.4320 -4.4255 -3.7775 -3.7727 -2.9213 -2.9096 -0.7111 -0.7032 0.1065 0.1076 0.8632 0.8692 1.1161 1.1296 1.7003 1.7056 2.1820 2.1880 2.4845 2.4873 2.7056 2.7061 11.9229 11.9353 12.8004 12.8064 13.4357 13.4421 13.9688 13.9788 k =-0.2467 0.2675 0.3639 ( 2297 PWs) bands (ev): -17.7092 -17.7091 -15.8680 -15.8645 -15.0210 -15.0168 -14.8792 -14.8739 -6.6493 -6.6473 -4.4141 -4.4076 -3.8002 -3.7953 -2.9251 -2.9135 -0.7057 -0.6977 0.1385 0.1396 0.8883 0.8946 1.1268 1.1409 1.6948 1.7004 2.1641 2.1708 2.4988 2.5020 2.7087 2.7096 11.9063 11.9187 12.8129 12.8184 13.3856 13.3920 13.9670 13.9764 k =-0.2398 0.2600 0.3538 ( 2301 PWs) bands (ev): -17.7343 -17.7342 -15.8346 -15.8312 -15.0174 -15.0132 -14.8725 -14.8672 -6.7026 -6.7007 -4.3971 -4.3907 -3.8224 -3.8175 -2.9301 -2.9186 -0.6996 -0.6916 0.1737 0.1750 0.9104 0.9171 1.1390 1.1535 1.6882 1.6939 2.1443 2.1515 2.5126 2.5158 2.7137 2.7152 11.8891 11.9014 12.8258 12.8306 13.3295 13.3359 13.9646 13.9735 k =-0.2330 0.2526 0.3437 ( 2297 PWs) bands (ev): -17.7596 -17.7594 -15.8005 -15.7971 -15.0137 -15.0096 -14.8658 -14.8605 -6.7556 -6.7538 -4.3809 -4.3746 -3.8441 -3.8391 -2.9363 -2.9250 -0.6928 -0.6849 0.2121 0.2133 0.9291 0.9359 1.1532 1.1680 1.6806 1.6864 2.1235 2.1310 2.5251 2.5282 2.7205 2.7227 11.8709 11.8830 12.8388 12.8427 13.2683 13.2749 13.9618 13.9702 k =-0.2261 0.2452 0.3335 ( 2301 PWs) bands (ev): -17.7849 -17.7848 -15.7659 -15.7625 -15.0099 -15.0058 -14.8591 -14.8538 -6.8082 -6.8065 -4.3655 -4.3592 -3.8651 -3.8600 -2.9438 -2.9326 -0.6854 -0.6776 0.2534 0.2546 0.9436 0.9504 1.1700 1.1848 1.6722 1.6782 2.1023 2.1100 2.5360 2.5388 2.7288 2.7316 11.8515 11.8633 12.8512 12.8539 13.2038 13.2110 13.9588 13.9668 k =-0.2193 0.2377 0.3234 ( 2301 PWs) bands (ev): -17.8102 -17.8101 -15.7307 -15.7274 -15.0061 -15.0021 -14.8524 -14.8472 -6.8604 -6.8588 -4.3508 -4.3446 -3.8854 -3.8803 -2.9526 -2.9415 -0.6775 -0.6697 0.2973 0.2986 0.9536 0.9601 1.1897 1.2043 1.6634 1.6695 2.0810 2.0887 2.5453 2.5479 2.7381 2.7415 11.8304 11.8418 12.8610 12.8626 13.1386 13.1471 13.9558 13.9634 k =-0.2124 0.2303 0.3133 ( 2301 PWs) bands (ev): -17.8355 -17.8354 -15.6952 -15.6919 -15.0022 -14.9983 -14.8457 -14.8406 -6.9120 -6.9105 -4.3367 -4.3307 -3.9051 -3.8999 -2.9625 -2.9517 -0.6690 -0.6613 0.3437 0.3449 0.9592 0.9651 1.2122 1.2263 1.6543 1.6605 2.0597 2.0675 2.5535 2.5557 2.7479 2.7519 11.8074 11.8184 12.8620 12.8661 13.0783 13.0890 13.9528 13.9600 k =-0.2056 0.2229 0.3032 ( 2311 PWs) bands (ev): -17.8606 -17.8605 -15.6593 -15.6561 -14.9983 -14.9945 -14.8391 -14.8341 -6.9630 -6.9617 -4.3234 -4.3175 -3.9240 -3.9188 -2.9738 -2.9631 -0.6599 -0.6523 0.3923 0.3935 0.9605 0.9658 1.2371 1.2505 1.6452 1.6513 2.0387 2.0464 2.5606 2.5626 2.7578 2.7622 11.7821 11.7925 12.8453 12.8534 13.0338 13.0475 13.9497 13.9567 k =-0.1987 0.2155 0.2931 ( 2311 PWs) bands (ev): -17.8855 -17.8854 -15.6233 -15.6201 -14.9944 -14.9906 -14.8326 -14.8276 -7.0134 -7.0121 -4.3105 -4.3048 -3.9421 -3.9368 -2.9862 -2.9757 -0.6503 -0.6428 0.4428 0.4439 0.9580 0.9627 1.2638 1.2766 1.6362 1.6423 2.0179 2.0255 2.5671 2.5689 2.7674 2.7721 11.7543 11.7641 12.8033 12.8136 13.0170 13.0316 13.9467 13.9534 k =-0.1919 0.2080 0.2830 ( 2311 PWs) bands (ev): -17.9102 -17.9100 -15.5871 -15.5840 -14.9905 -14.9868 -14.8261 -14.8212 -7.0630 -7.0619 -4.2983 -4.2926 -3.9594 -3.9541 -2.9998 -2.9895 -0.6402 -0.6329 0.4950 0.4960 0.9522 0.9564 1.2920 1.3041 1.6274 1.6334 1.9975 2.0050 2.5733 2.5749 2.7762 2.7812 11.7238 11.7329 12.7417 12.7521 13.0230 13.0365 13.9437 13.9502 k =-0.1850 0.2006 0.2729 ( 2303 PWs) bands (ev): -17.9344 -17.9343 -15.5509 -15.5479 -14.9866 -14.9830 -14.8197 -14.8149 -7.1119 -7.1108 -4.2865 -4.2810 -3.9758 -3.9705 -3.0146 -3.0044 -0.6296 -0.6224 0.5485 0.5494 0.9438 0.9475 1.3210 1.3326 1.6189 1.6248 1.9774 1.9849 2.5793 2.5808 2.7841 2.7893 11.6903 11.6986 12.6706 12.6807 13.0411 13.0531 13.9407 13.9469 k =-0.1782 0.1932 0.2628 ( 2303 PWs) bands (ev): -17.9583 -17.9582 -15.5148 -15.5118 -14.9828 -14.9793 -14.8134 -14.8087 -7.1598 -7.1589 -4.2752 -4.2699 -3.9913 -3.9860 -3.0304 -3.0205 -0.6185 -0.6114 0.6030 0.6038 0.9330 0.9363 1.3507 1.3618 1.6108 1.6165 1.9578 1.9652 2.5853 2.5867 2.7908 2.7962 11.6537 11.6611 12.5957 12.6056 13.0655 13.0763 13.9375 13.9436 k =-0.1713 0.1857 0.2527 ( 2303 PWs) bands (ev): -17.9817 -17.9816 -15.4789 -15.4760 -14.9790 -14.9756 -14.8072 -14.8026 -7.2069 -7.2060 -4.2643 -4.2591 -4.0059 -4.0006 -3.0472 -3.0375 -0.6070 -0.6001 0.6583 0.6590 0.9204 0.9234 1.3805 1.3912 1.6030 1.6085 1.9386 1.9460 2.5913 2.5927 2.7963 2.8018 11.6139 11.6205 12.5201 12.5300 13.0939 13.1038 13.9343 13.9402 k =-0.1645 0.1783 0.2426 ( 2307 PWs) bands (ev): -18.0046 -18.0045 -15.4432 -15.4404 -14.9752 -14.9720 -14.8012 -14.7967 -7.2529 -7.2521 -4.2538 -4.2488 -4.0196 -4.0143 -3.0650 -3.0556 -0.5950 -0.5883 0.7140 0.7146 0.9064 0.9091 1.4105 1.4208 1.5955 1.6009 1.9200 1.9273 2.5975 2.5989 2.8005 2.8060 11.5709 11.5766 12.4453 12.4552 13.1254 13.1344 13.9310 13.9367 k =-0.1576 0.1709 0.2325 ( 2311 PWs) bands (ev): -18.0269 -18.0269 -15.4079 -15.4052 -14.9716 -14.9684 -14.7953 -14.7909 -7.2978 -7.2971 -4.2436 -4.2388 -4.0324 -4.0271 -3.0837 -3.0745 -0.5827 -0.5762 0.7698 0.7703 0.8913 0.8938 1.4402 1.4503 1.5884 1.5935 1.9020 1.9093 2.6039 2.6053 2.8034 2.8089 11.5248 11.5297 12.3724 12.3824 13.1592 13.1675 13.9275 13.9330 k =-0.1508 0.1635 0.2224 ( 2311 PWs) bands (ev): -18.0487 -18.0486 -15.3731 -15.3705 -14.9680 -14.9650 -14.7895 -14.7853 -7.3415 -7.3409 -4.2338 -4.2292 -4.0442 -4.0389 -3.1031 -3.0941 -0.5701 -0.5637 0.8252 0.8255 0.8757 0.8779 1.4696 1.4795 1.5816 1.5865 1.8847 1.8919 2.6104 2.6118 2.8051 2.8105 11.4757 11.4798 12.3022 12.3121 13.1950 13.2026 13.9238 13.9292 k =-0.1439 0.1560 0.2123 ( 2315 PWs) bands (ev): -18.0697 -18.0696 -15.3389 -15.3364 -14.9645 -14.9616 -14.7839 -14.7799 -7.3841 -7.3835 -4.2243 -4.2199 -4.0550 -4.0498 -3.1232 -3.1145 -0.5572 -0.5510 0.8576 0.8600 0.8811 0.8823 1.4984 1.5083 1.5753 1.5798 1.8681 1.8753 2.6171 2.6185 2.8054 2.8108 11.4239 11.4272 12.2349 12.2449 13.2323 13.2394 13.9200 13.9252 k =-0.1371 0.1486 0.2021 ( 2315 PWs) bands (ev): -18.0900 -18.0900 -15.3054 -15.3030 -14.9611 -14.9583 -14.7785 -14.7746 -7.4253 -7.4248 -4.2152 -4.2109 -4.0648 -4.0597 -3.1439 -3.1354 -0.5440 -0.5381 0.8418 0.8439 0.9347 0.9353 1.5264 1.5364 1.5696 1.5738 1.8523 1.8596 2.6240 2.6253 2.8046 2.8098 11.3697 11.3724 12.1711 12.1810 13.2711 13.2776 13.9160 13.9210 k =-0.1302 0.1412 0.1920 ( 2321 PWs) bands (ev): -18.1096 -18.1096 -15.2727 -15.2704 -14.9578 -14.9552 -14.7732 -14.7696 -7.4651 -7.4647 -4.2063 -4.2022 -4.0737 -4.0686 -3.1650 -3.1568 -0.5308 -0.5251 0.8251 0.8271 0.9872 0.9878 1.5516 1.5601 1.5685 1.5700 1.8374 1.8448 2.6309 2.6322 2.8026 2.8077 11.3137 11.3158 12.1108 12.1205 13.3108 13.3168 13.9118 13.9167 k =-0.1233 0.1337 0.1819 ( 2319 PWs) bands (ev): -18.1284 -18.1284 -15.2409 -15.2387 -14.9547 -14.9522 -14.7682 -14.7647 -7.5035 -7.5031 -4.1977 -4.1939 -4.0816 -4.0766 -3.1864 -3.1785 -0.5175 -0.5121 0.8086 0.8104 1.0379 1.0385 1.5571 1.5604 1.5844 1.5922 1.8235 1.8310 2.6378 2.6392 2.7997 2.8047 11.2563 11.2579 12.0541 12.0636 13.3512 13.3568 13.9075 13.9122 k =-0.1165 0.1263 0.1718 ( 2319 PWs) bands (ev): -18.1464 -18.1464 -15.2100 -15.2079 -14.9517 -14.9493 -14.7634 -14.7600 -7.5403 -7.5400 -4.1895 -4.1858 -4.0885 -4.0836 -3.2080 -3.2004 -0.5042 -0.4990 0.7923 0.7941 1.0862 1.0870 1.5539 1.5569 1.6093 1.6181 1.8106 1.8183 2.6448 2.6461 2.7959 2.8007 11.1980 11.1992 12.0010 12.0102 13.3921 13.3972 13.9031 13.9075 k =-0.1096 0.1189 0.1617 ( 2315 PWs) bands (ev): -18.1635 -18.1635 -15.1803 -15.1783 -14.9488 -14.9465 -14.7587 -14.7556 -7.5755 -7.5753 -4.1816 -4.1781 -4.0946 -4.0898 -3.2297 -3.2224 -0.4910 -0.4860 0.7765 0.7782 1.1315 1.1325 1.5515 1.5542 1.6339 1.6433 1.7986 1.8067 2.6517 2.6530 2.7913 2.7959 11.1396 11.1405 11.9514 11.9602 13.4330 13.4377 13.8985 13.9028 k =-0.1028 0.1114 0.1516 ( 2299 PWs) bands (ev): -18.1798 -18.1797 -15.1517 -15.1499 -14.9460 -14.9439 -14.7543 -14.7514 -7.6091 -7.6089 -4.1739 -4.1707 -4.0997 -4.0950 -3.2512 -3.2442 -0.4780 -0.4733 0.7613 0.7628 1.1731 1.1744 1.5509 1.5532 1.6574 1.6675 1.7877 1.7965 2.6585 2.6597 2.7860 2.7904 11.0816 11.0822 11.9053 11.9137 13.4737 13.4780 13.8939 13.8980 k =-0.0959 0.1040 0.1415 ( 2307 PWs) bands (ev): -18.1951 -18.1951 -15.1245 -15.1227 -14.9434 -14.9414 -14.7502 -14.7474 -7.6409 -7.6407 -4.1667 -4.1637 -4.1039 -4.0995 -3.2725 -3.2659 -0.4652 -0.4608 0.7467 0.7481 1.2103 1.2118 1.5527 1.5544 1.6795 1.6906 1.7778 1.7876 2.6651 2.6663 2.7803 2.7845 11.0245 11.0249 11.8625 11.8704 13.5138 13.5178 13.8893 13.8931 k =-0.0891 0.0966 0.1314 ( 2303 PWs) bands (ev): -18.2095 -18.2094 -15.0986 -15.0970 -14.9410 -14.9391 -14.7463 -14.7437 -7.6708 -7.6707 -4.1598 -4.1570 -4.1074 -4.1031 -3.2934 -3.2871 -0.4528 -0.4487 0.7329 0.7342 1.2422 1.2441 1.5574 1.5588 1.6996 1.7125 1.7689 1.7805 2.6715 2.6726 2.7742 2.7781 10.9690 10.9693 11.8229 11.8304 13.5531 13.5567 13.8847 13.8883 k =-0.0822 0.0892 0.1213 ( 2303 PWs) bands (ev): -18.2229 -18.2228 -15.0743 -15.0728 -14.9387 -14.9370 -14.7426 -14.7403 -7.6989 -7.6988 -4.1533 -4.1507 -4.1101 -4.1060 -3.3137 -3.3077 -0.4408 -0.4370 0.7199 0.7211 1.2684 1.2705 1.5656 1.5665 1.7168 1.7330 1.7611 1.7761 2.6776 2.6787 2.7678 2.7715 10.9155 10.9157 11.7865 11.7934 13.5911 13.5944 13.8802 13.8835 k =-0.0754 0.0817 0.1112 ( 2293 PWs) bands (ev): -18.2353 -18.2353 -15.0515 -15.0501 -14.9366 -14.9350 -14.7392 -14.7371 -7.7250 -7.7250 -4.1472 -4.1449 -4.1120 -4.1082 -3.3332 -3.3276 -0.4294 -0.4259 0.7078 0.7090 1.2887 1.2909 1.5773 1.5780 1.7291 1.7497 1.7568 1.7763 2.6834 2.6844 2.7614 2.7648 10.8646 10.8647 11.7532 11.7595 13.6275 13.6306 13.8759 13.8790 k =-0.0685 0.0743 0.1011 ( 2293 PWs) bands (ev): -18.2467 -18.2467 -15.0303 -15.0291 -14.9346 -14.9332 -14.7361 -14.7342 -7.7491 -7.7491 -4.1415 -4.1395 -4.1133 -4.1098 -3.3518 -3.3466 -0.4186 -0.4154 0.6967 0.6977 1.3033 1.3057 1.5920 1.5926 1.7345 1.7468 1.7715 1.7827 2.6888 2.6898 2.7550 2.7582 10.8167 10.8168 11.7229 11.7286 13.6621 13.6648 13.8717 13.8746 k =-0.0617 0.0669 0.0910 ( 2293 PWs) bands (ev): -18.2571 -18.2570 -15.0109 -15.0098 -14.9328 -14.9315 -14.7333 -14.7315 -7.7711 -7.7711 -4.1363 -4.1345 -4.1140 -4.1109 -3.3693 -3.3645 -0.4085 -0.4056 0.6865 0.6874 1.3131 1.3155 1.6090 1.6095 1.7349 1.7416 1.7878 1.7936 2.6939 2.6947 2.7488 2.7517 10.7722 10.7722 11.6955 11.7007 13.6944 13.6969 13.8679 13.8704 k =-0.0548 0.0594 0.0809 ( 2293 PWs) bands (ev): -18.2664 -18.2664 -14.9934 -14.9924 -14.9312 -14.9300 -14.7307 -14.7291 -7.7910 -7.7909 -4.1317 -4.1301 -4.1142 -4.1115 -3.3855 -3.3811 -0.3992 -0.3966 0.6773 0.6782 1.3191 1.3214 1.6270 1.6275 1.7331 1.7370 1.8028 1.8059 2.6984 2.6991 2.7430 2.7456 10.7314 10.7314 11.6711 11.6757 13.7242 13.7265 13.8644 13.8667 k =-0.0480 0.0520 0.0708 ( 2297 PWs) bands (ev): -18.2747 -18.2746 -14.9777 -14.9768 -14.9297 -14.9287 -14.7284 -14.7270 -7.8086 -7.8086 -4.1275 -4.1262 -4.1140 -4.1117 -3.4002 -3.3964 -0.3908 -0.3885 0.6692 0.6700 1.3224 1.3245 1.6450 1.6455 1.7307 1.7332 1.8162 1.8179 2.7025 2.7031 2.7376 2.7399 10.6947 10.6947 11.6496 11.6536 13.7511 13.7532 13.8613 13.8633 k =-0.0411 0.0446 0.0606 ( 2301 PWs) bands (ev): -18.2819 -18.2818 -14.9640 -14.9633 -14.9284 -14.9275 -14.7264 -14.7252 -7.8240 -7.8240 -4.1240 -4.1229 -4.1134 -4.1116 -3.4134 -3.4100 -0.3833 -0.3813 0.6621 0.6628 1.3239 1.3258 1.6619 1.6624 1.7286 1.7301 1.8279 1.8289 2.7060 2.7064 2.7328 2.7348 10.6623 10.6624 11.6310 11.6344 13.7748 13.7767 13.8588 13.8606 k =-0.0343 0.0371 0.0505 ( 2295 PWs) bands (ev): -18.2880 -18.2879 -14.9524 -14.9517 -14.9272 -14.9265 -14.7247 -14.7237 -7.8371 -7.8371 -4.1211 -4.1202 -4.1124 -4.1112 -3.4248 -3.4219 -0.3769 -0.3752 0.6562 0.6567 1.3243 1.3259 1.6769 1.6773 1.7271 1.7280 1.8379 1.8385 2.7089 2.7092 2.7287 2.7305 10.6345 10.6346 11.6153 11.6182 13.7949 13.7966 13.8571 13.8586 k =-0.0274 0.0297 0.0404 ( 2295 PWs) bands (ev): -18.2930 -18.2929 -14.9428 -14.9423 -14.9261 -14.9256 -14.7233 -14.7225 -7.8479 -7.8479 -4.1189 -4.1180 -4.1114 -4.1107 -3.4343 -3.4320 -0.3715 -0.3701 0.6513 0.6517 1.3240 1.3253 1.6891 1.6895 1.7264 1.7269 1.8462 1.8466 2.7111 2.7112 2.7255 2.7270 10.6115 10.6116 11.6025 11.6048 13.8109 13.8124 13.8565 13.8576 k =-0.0206 0.0223 0.0303 ( 2297 PWs) bands (ev): -18.2969 -18.2969 -14.9356 -14.9351 -14.9251 -14.9248 -14.7222 -14.7216 -7.8563 -7.8563 -4.1173 -4.1165 -4.1103 -4.1100 -3.4417 -3.4400 -0.3672 -0.3662 0.6474 0.6478 1.3235 1.3245 1.6980 1.6984 1.7268 1.7271 1.8527 1.8529 2.7123 2.7125 2.7234 2.7245 10.5935 10.5935 11.5926 11.5943 13.8224 13.8236 13.8571 13.8580 k =-0.0137 0.0149 0.0202 ( 2297 PWs) bands (ev): -18.2997 -18.2996 -14.9307 -14.9304 -14.9239 -14.9238 -14.7213 -14.7209 -7.8624 -7.8623 -4.1162 -4.1155 -4.1095 -4.1093 -3.4470 -3.4458 -0.3640 -0.3633 0.6447 0.6449 1.3230 1.3237 1.7035 1.7037 1.7282 1.7284 1.8574 1.8575 2.7128 2.7130 2.7223 2.7231 10.5805 10.5805 11.5856 11.5867 13.8294 13.8303 13.8590 13.8596 k =-0.0069 0.0074 0.0101 ( 2297 PWs) bands (ev): -18.3013 -18.3013 -14.9283 -14.9281 -14.9227 -14.9227 -14.7208 -14.7206 -7.8660 -7.8660 -4.1154 -4.1151 -4.1089 -4.1089 -3.4501 -3.4495 -0.3621 -0.3617 0.6431 0.6432 1.3227 1.3231 1.7061 1.7062 1.7298 1.7299 1.8602 1.8603 2.7128 2.7129 2.7221 2.7225 10.5726 10.5727 11.5815 11.5821 13.8329 13.8333 13.8612 13.8614 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.3019 -18.3019 -14.9276 -14.9276 -14.9221 -14.9221 -14.7205 -14.7205 -7.8672 -7.8672 -4.1151 -4.1151 -4.1087 -4.1087 -3.4509 -3.4509 -0.3613 -0.3613 0.6426 0.6426 1.3227 1.3227 1.7069 1.7069 1.7305 1.7305 1.8611 1.8611 2.7128 2.7128 2.7222 2.7222 10.5700 10.5700 11.5803 11.5803 13.8340 13.8340 13.8621 13.8621 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.3019 -18.3019 -14.9276 -14.9276 -14.9221 -14.9221 -14.7205 -14.7205 -7.8672 -7.8672 -4.1151 -4.1151 -4.1087 -4.1087 -3.4509 -3.4509 -0.3613 -0.3613 0.6426 0.6426 1.3227 1.3227 1.7069 1.7069 1.7305 1.7305 1.8611 1.8611 2.7128 2.7128 2.7222 2.7222 10.5700 10.5700 11.5803 11.5803 13.8340 13.8340 13.8621 13.8621 k = 0.0104 0.0096 0.0000 ( 2301 PWs) bands (ev): -18.3013 -18.3013 -14.9277 -14.9277 -14.9222 -14.9222 -14.7220 -14.7220 -7.8654 -7.8654 -4.1142 -4.1142 -4.1078 -4.1078 -3.4518 -3.4518 -0.3606 -0.3606 0.6418 0.6418 1.3228 1.3228 1.7061 1.7061 1.7297 1.7297 1.8594 1.8594 2.7128 2.7128 2.7222 2.7222 10.5726 10.5726 11.5821 11.5821 13.8321 13.8321 13.8602 13.8602 k = 0.0208 0.0192 0.0000 ( 2301 PWs) bands (ev): -18.2994 -18.2994 -14.9280 -14.9280 -14.9226 -14.9226 -14.7263 -14.7263 -7.8599 -7.8599 -4.1117 -4.1117 -4.1053 -4.1053 -3.4542 -3.4542 -0.3584 -0.3584 0.6393 0.6393 1.3229 1.3229 1.7036 1.7036 1.7273 1.7273 1.8542 1.8542 2.7127 2.7127 2.7222 2.7222 10.5803 10.5803 11.5875 11.5875 13.8266 13.8266 13.8546 13.8546 k = 0.0312 0.0288 0.0000 ( 2301 PWs) bands (ev): -18.2963 -18.2963 -14.9286 -14.9286 -14.9232 -14.9232 -14.7334 -14.7334 -7.8508 -7.8508 -4.1075 -4.1075 -4.1011 -4.1011 -3.4582 -3.4582 -0.3548 -0.3548 0.6352 0.6352 1.3230 1.3230 1.6995 1.6995 1.7232 1.7232 1.8455 1.8455 2.7126 2.7126 2.7223 2.7223 10.5930 10.5930 11.5964 11.5964 13.8175 13.8175 13.8454 13.8454 k = 0.0417 0.0384 0.0000 ( 2293 PWs) bands (ev): -18.2920 -18.2920 -14.9294 -14.9294 -14.9240 -14.9240 -14.7433 -14.7433 -7.8381 -7.8381 -4.1016 -4.1016 -4.0951 -4.0951 -3.4638 -3.4638 -0.3498 -0.3498 0.6295 0.6295 1.3231 1.3231 1.6937 1.6937 1.7175 1.7175 1.8335 1.8335 2.7126 2.7126 2.7224 2.7224 10.6108 10.6108 11.6089 11.6089 13.8049 13.8049 13.8326 13.8326 k = 0.0521 0.0480 0.0000 ( 2293 PWs) bands (ev): -18.2865 -18.2865 -14.9304 -14.9304 -14.9250 -14.9250 -14.7560 -14.7560 -7.8219 -7.8219 -4.0940 -4.0940 -4.0875 -4.0875 -3.4710 -3.4710 -0.3434 -0.3434 0.6222 0.6222 1.3232 1.3232 1.6862 1.6862 1.7101 1.7101 1.8183 1.8183 2.7126 2.7126 2.7226 2.7226 10.6334 10.6334 11.6248 11.6248 13.7890 13.7890 13.8164 13.8164 k = 0.0625 0.0576 0.0000 ( 2293 PWs) bands (ev): -18.2797 -18.2797 -14.9317 -14.9317 -14.9262 -14.9262 -14.7714 -14.7714 -7.8021 -7.8021 -4.0848 -4.0848 -4.0783 -4.0783 -3.4798 -3.4798 -0.3355 -0.3355 0.6133 0.6133 1.3232 1.3232 1.6771 1.6771 1.7010 1.7010 1.7999 1.7999 2.7126 2.7126 2.7229 2.7229 10.6610 10.6610 11.6441 11.6441 13.7700 13.7700 13.7971 13.7971 k = 0.0729 0.0673 0.0000 ( 2289 PWs) bands (ev): -18.2717 -18.2717 -14.9332 -14.9332 -14.9277 -14.9277 -14.7895 -14.7895 -7.7790 -7.7790 -4.0740 -4.0740 -4.0674 -4.0674 -3.4902 -3.4902 -0.3263 -0.3263 0.6030 0.6030 1.3230 1.3230 1.6661 1.6661 1.6901 1.6901 1.7787 1.7787 2.7129 2.7129 2.7234 2.7234 10.6932 10.6932 11.6667 11.6667 13.7481 13.7481 13.7748 13.7748 k = 0.0833 0.0769 0.0000 ( 2289 PWs) bands (ev): -18.2625 -18.2625 -14.9348 -14.9348 -14.9293 -14.9293 -14.8101 -14.8101 -7.7524 -7.7524 -4.0615 -4.0615 -4.0550 -4.0550 -3.5022 -3.5022 -0.3157 -0.3157 0.5912 0.5912 1.3224 1.3224 1.6534 1.6534 1.6775 1.6775 1.7548 1.7548 2.7133 2.7133 2.7241 2.7241 10.7301 10.7301 11.6926 11.6926 13.7234 13.7234 13.7498 13.7498 k = 0.0938 0.0865 0.0000 ( 2285 PWs) bands (ev): -18.2521 -18.2521 -14.9367 -14.9367 -14.9312 -14.9312 -14.8333 -14.8333 -7.7227 -7.7227 -4.0475 -4.0475 -4.0409 -4.0409 -3.5157 -3.5157 -0.3037 -0.3037 0.5780 0.5780 1.3213 1.3213 1.6389 1.6389 1.6632 1.6632 1.7286 1.7286 2.7140 2.7140 2.7250 2.7250 10.7714 10.7714 11.7215 11.7215 13.6964 13.6964 13.7224 13.7224 k = 0.1042 0.0961 0.0000 ( 2285 PWs) bands (ev): -18.2405 -18.2405 -14.9388 -14.9388 -14.9333 -14.9333 -14.8588 -14.8588 -7.6897 -7.6897 -4.0320 -4.0320 -4.0253 -4.0253 -3.5308 -3.5308 -0.2904 -0.2904 0.5634 0.5634 1.3195 1.3195 1.6225 1.6225 1.6470 1.6470 1.7004 1.7004 2.7151 2.7151 2.7263 2.7263 10.8169 10.8169 11.7534 11.7534 13.6672 13.6672 13.6927 13.6927 k = 0.1146 0.1057 0.0000 ( 2285 PWs) bands (ev): -18.2277 -18.2277 -14.9411 -14.9411 -14.9355 -14.9355 -14.8866 -14.8866 -7.6536 -7.6536 -4.0150 -4.0150 -4.0083 -4.0083 -3.5474 -3.5474 -0.2758 -0.2758 0.5477 0.5477 1.3167 1.3167 1.6043 1.6043 1.6290 1.6290 1.6706 1.6706 2.7165 2.7165 2.7279 2.7279 10.8665 10.8665 11.7881 11.7881 13.6360 13.6360 13.6611 13.6611 k = 0.1250 0.1153 0.0000 ( 2293 PWs) bands (ev): -18.2137 -18.2137 -14.9438 -14.9438 -14.9379 -14.9379 -14.9164 -14.9164 -7.6146 -7.6146 -3.9966 -3.9966 -3.9897 -3.9897 -3.5655 -3.5655 -0.2599 -0.2599 0.5308 0.5308 1.3125 1.3125 1.5841 1.5841 1.6092 1.6092 1.6397 1.6397 2.7184 2.7184 2.7300 2.7300 10.9200 10.9200 11.8254 11.8254 13.6032 13.6032 13.6279 13.6279 k = 0.1354 0.1249 0.0000 ( 2289 PWs) bands (ev): -18.1986 -18.1986 -14.9514 -14.9514 -14.9435 -14.9435 -14.9404 -14.9404 -7.5728 -7.5728 -3.9767 -3.9767 -3.9698 -3.9698 -3.5852 -3.5852 -0.2428 -0.2428 0.5129 0.5129 1.3063 1.3063 1.5620 1.5620 1.5877 1.5877 1.6085 1.6085 2.7208 2.7208 2.7325 2.7325 10.9772 10.9772 11.8654 11.8654 13.5690 13.5690 13.5932 13.5932 k = 0.1458 0.1345 0.0000 ( 2282 PWs) bands (ev): -18.1823 -18.1823 -14.9836 -14.9836 -14.9482 -14.9482 -14.9431 -14.9431 -7.5281 -7.5281 -3.9555 -3.9555 -3.9485 -3.9485 -3.6063 -3.6063 -0.2244 -0.2244 0.4940 0.4940 1.2975 1.2975 1.5383 1.5383 1.5644 1.5644 1.5777 1.5777 2.7236 2.7236 2.7355 2.7355 11.0378 11.0378 11.9076 11.9076 13.5337 13.5337 13.5574 13.5574 k = 0.1562 0.1441 0.0000 ( 2290 PWs) bands (ev): -18.1649 -18.1649 -15.0195 -15.0195 -14.9512 -14.9512 -14.9460 -14.9460 -7.4809 -7.4809 -3.9330 -3.9330 -3.9259 -3.9259 -3.6290 -3.6290 -0.2050 -0.2050 0.4742 0.4742 1.2853 1.2853 1.5132 1.5132 1.5393 1.5393 1.5478 1.5478 2.7270 2.7270 2.7389 2.7389 11.1017 11.1017 11.9520 11.9520 13.4973 13.4973 13.5206 13.5206 k = 0.1667 0.1537 0.0000 ( 2298 PWs) bands (ev): -18.1463 -18.1463 -15.0572 -15.0572 -14.9542 -14.9542 -14.9490 -14.9490 -7.4311 -7.4311 -3.9093 -3.9093 -3.9021 -3.9021 -3.6531 -3.6531 -0.1844 -0.1844 0.4537 0.4537 1.2687 1.2687 1.4872 1.4872 1.5125 1.5125 1.5195 1.5195 2.7310 2.7310 2.7429 2.7429 11.1686 11.1686 11.9982 11.9982 13.4603 13.4603 13.4831 13.4831 k = 0.1771 0.1633 0.0000 ( 2294 PWs) bands (ev): -18.1267 -18.1267 -15.0966 -15.0966 -14.9573 -14.9573 -14.9520 -14.9520 -7.3790 -7.3790 -3.8844 -3.8844 -3.8771 -3.8771 -3.6787 -3.6787 -0.1627 -0.1627 0.4327 0.4327 1.2469 1.2469 1.4605 1.4605 1.4841 1.4841 1.4936 1.4936 2.7356 2.7356 2.7474 2.7474 11.2383 11.2383 12.0463 12.0463 13.4227 13.4227 13.4451 13.4451 k = 0.1875 0.1729 0.0000 ( 2282 PWs) bands (ev): -18.1060 -18.1060 -15.1375 -15.1375 -14.9605 -14.9605 -14.9552 -14.9552 -7.3246 -7.3246 -3.8585 -3.8585 -3.8510 -3.8510 -3.7057 -3.7057 -0.1401 -0.1401 0.4112 0.4112 1.2197 1.2197 1.4327 1.4327 1.4542 1.4542 1.4712 1.4712 2.7407 2.7407 2.7525 2.7525 11.3105 11.3105 12.0958 12.0958 13.3848 13.3848 13.4067 13.4067 k = 0.1979 0.1825 0.0000 ( 2282 PWs) bands (ev): -18.0842 -18.0842 -15.1798 -15.1798 -14.9638 -14.9638 -14.9585 -14.9585 -7.2681 -7.2681 -3.8316 -3.8316 -3.8239 -3.8239 -3.7342 -3.7342 -0.1166 -0.1166 0.3894 0.3894 1.1873 1.1873 1.4031 1.4031 1.4228 1.4228 1.4527 1.4527 2.7463 2.7463 2.7580 2.7580 11.3850 11.3850 12.1467 12.1467 13.3467 13.3467 13.3682 13.3682 k = 0.2083 0.1922 0.0000 ( 2262 PWs) bands (ev): -18.0613 -18.0613 -15.2234 -15.2234 -14.9671 -14.9671 -14.9618 -14.9618 -7.2096 -7.2096 -3.8040 -3.8040 -3.7959 -3.7959 -3.7638 -3.7638 -0.0923 -0.0923 0.3675 0.3675 1.1505 1.1505 1.3717 1.3717 1.3901 1.3901 1.4377 1.4377 2.7526 2.7526 2.7641 2.7641 11.4615 11.4615 12.1986 12.1986 13.3087 13.3087 13.3297 13.3297 k = 0.2188 0.2018 0.0000 ( 2262 PWs) bands (ev): -18.0375 -18.0375 -15.2681 -15.2681 -14.9705 -14.9705 -14.9652 -14.9652 -7.1492 -7.1492 -3.7969 -3.7969 -3.7737 -3.7737 -3.7669 -3.7669 -0.0674 -0.0674 0.3457 0.3457 1.1102 1.1102 1.3386 1.3386 1.3562 1.3562 1.4253 1.4253 2.7592 2.7592 2.7706 2.7706 11.5398 11.5398 12.2513 12.2513 13.2708 13.2708 13.2914 13.2914 k = 0.2292 0.2114 0.0000 ( 2274 PWs) bands (ev): -18.0127 -18.0127 -15.3139 -15.3139 -14.9739 -14.9739 -14.9686 -14.9686 -7.0871 -7.0871 -3.8291 -3.8291 -3.7449 -3.7449 -3.7373 -3.7373 -0.0422 -0.0422 0.3243 0.3243 1.0674 1.0674 1.3043 1.3043 1.3211 1.3211 1.4145 1.4145 2.7664 2.7664 2.7775 2.7775 11.6195 11.6195 12.3045 12.3045 13.2332 13.2332 13.2534 13.2534 k = 0.2396 0.2210 0.0000 ( 2278 PWs) bands (ev): -17.9870 -17.9870 -15.3605 -15.3605 -14.9774 -14.9774 -14.9720 -14.9720 -7.0233 -7.0233 -3.8634 -3.8634 -3.7148 -3.7148 -3.7069 -3.7069 -0.0169 -0.0169 0.3037 0.3037 1.0228 1.0228 1.2689 1.2689 1.2850 1.2850 1.4047 1.4047 2.7739 2.7739 2.7849 2.7849 11.7005 11.7005 12.3581 12.3581 13.1960 13.1960 13.2158 13.2158 k = 0.2500 0.2306 0.0000 ( 2278 PWs) bands (ev): -17.9603 -17.9603 -15.4080 -15.4080 -14.9808 -14.9808 -14.9755 -14.9755 -6.9580 -6.9580 -3.8992 -3.8992 -3.6841 -3.6841 -3.6761 -3.6761 0.0080 0.0080 0.2845 0.2845 0.9770 0.9770 1.2326 1.2326 1.2481 1.2481 1.3953 1.3953 2.7818 2.7818 2.7925 2.7925 11.7823 11.7823 12.4118 12.4118 13.1594 13.1594 13.1788 13.1788 k = 0.2604 0.2402 0.0000 ( 2278 PWs) bands (ev): -17.9328 -17.9328 -15.4560 -15.4560 -14.9843 -14.9843 -14.9789 -14.9789 -6.8914 -6.8914 -3.9364 -3.9364 -3.6530 -3.6530 -3.6448 -3.6448 0.0315 0.0315 0.2675 0.2675 0.9307 0.9307 1.1956 1.1956 1.2106 1.2106 1.3859 1.3859 2.7901 2.7901 2.8005 2.8005 11.8648 11.8648 12.4653 12.4653 13.1235 13.1235 13.1425 13.1425 k = 0.2708 0.2498 0.0000 ( 2278 PWs) bands (ev): -17.9045 -17.9045 -15.5046 -15.5046 -14.9877 -14.9877 -14.9824 -14.9824 -6.8234 -6.8234 -3.9752 -3.9752 -3.6216 -3.6216 -3.6131 -3.6131 0.0524 0.0524 0.2542 0.2542 0.8842 0.8842 1.1582 1.1582 1.1725 1.1725 1.3762 1.3762 2.7986 2.7986 2.8087 2.8087 11.9477 11.9477 12.5183 12.5183 13.0884 13.0884 13.1070 13.1070 k = 0.2812 0.2594 0.0000 ( 2278 PWs) bands (ev): -17.8754 -17.8754 -15.5536 -15.5536 -14.9911 -14.9911 -14.9858 -14.9858 -6.7544 -6.7544 -4.0154 -4.0154 -3.5899 -3.5899 -3.5813 -3.5813 0.0685 0.0685 0.2466 0.2466 0.8379 0.8379 1.1203 1.1203 1.1341 1.1341 1.3659 1.3659 2.8073 2.8073 2.8171 2.8171 12.0305 12.0305 12.5707 12.5707 13.0542 13.0542 13.0723 13.0723 k = 0.2917 0.2690 0.0000 ( 2270 PWs) bands (ev): -17.8456 -17.8456 -15.6029 -15.6029 -14.9944 -14.9944 -14.9891 -14.9891 -6.6843 -6.6843 -4.0570 -4.0570 -3.5581 -3.5581 -3.5493 -3.5493 0.0775 0.0775 0.2473 0.2473 0.7922 0.7922 1.0823 1.0823 1.0955 1.0955 1.3550 1.3550 2.8161 2.8161 2.8256 2.8256 12.1130 12.1130 12.6221 12.6221 13.0209 13.0209 13.0387 13.0387 k = 0.3021 0.2786 0.0000 ( 2270 PWs) bands (ev): -17.8151 -17.8151 -15.6522 -15.6522 -14.9977 -14.9977 -14.9924 -14.9924 -6.6133 -6.6133 -4.1001 -4.1001 -3.5265 -3.5265 -3.5175 -3.5175 0.0782 0.0782 0.2573 0.2573 0.7472 0.7472 1.0443 1.0443 1.0570 1.0570 1.3433 1.3433 2.8250 2.8250 2.8342 2.8342 12.1949 12.1949 12.6724 12.6724 12.9888 12.9888 13.0061 13.0061 k = 0.3125 0.2882 0.0000 ( 2266 PWs) bands (ev): -17.7841 -17.7841 -15.7015 -15.7015 -15.0009 -15.0009 -14.9956 -14.9956 -6.5415 -6.5415 -4.1447 -4.1447 -3.4950 -3.4950 -3.4858 -3.4858 0.0718 0.0718 0.2754 0.2754 0.7034 0.7034 1.0066 1.0066 1.0187 1.0187 1.3306 1.3306 2.8340 2.8340 2.8429 2.8429 12.2757 12.2757 12.7213 12.7213 12.9579 12.9579 12.9747 12.9747 k = 0.3229 0.2978 0.0000 ( 2266 PWs) bands (ev): -17.7526 -17.7526 -15.7507 -15.7507 -15.0040 -15.0040 -14.9987 -14.9987 -6.4691 -6.4691 -4.1907 -4.1907 -3.4639 -3.4639 -3.4545 -3.4545 0.0609 0.0609 0.2991 0.2991 0.6609 0.6609 0.9692 0.9692 0.9808 0.9808 1.3170 1.3170 2.8429 2.8429 2.8514 2.8514 12.3552 12.3552 12.7685 12.7685 12.9283 12.9283 12.9446 12.9446 k = 0.3333 0.3074 0.0000 ( 2266 PWs) bands (ev): -17.7207 -17.7207 -15.7996 -15.7996 -15.0070 -15.0070 -15.0017 -15.0017 -6.3961 -6.3961 -4.2382 -4.2382 -3.4333 -3.4333 -3.4238 -3.4238 0.0474 0.0474 0.3261 0.3261 0.6202 0.6202 0.9325 0.9325 0.9436 0.9436 1.3023 1.3023 2.8517 2.8517 2.8598 2.8598 12.4329 12.4329 12.8134 12.8134 12.9005 12.9005 12.9157 12.9157 k = 0.3438 0.3171 0.0000 ( 2266 PWs) bands (ev): -17.6886 -17.6886 -15.8479 -15.8479 -15.0099 -15.0099 -15.0046 -15.0046 -6.3227 -6.3227 -4.2871 -4.2871 -3.4034 -3.4034 -3.3936 -3.3936 0.0327 0.0327 0.3550 0.3550 0.5816 0.5816 0.8965 0.8965 0.9071 0.9071 1.2866 1.2866 2.8603 2.8603 2.8681 2.8681 12.5086 12.5086 12.8516 12.8516 12.8788 12.8788 12.8884 12.8884 k = 0.3542 0.3267 0.0000 ( 2274 PWs) bands (ev): -17.6563 -17.6563 -15.8956 -15.8956 -15.0127 -15.0127 -15.0074 -15.0074 -6.2489 -6.2489 -4.3374 -4.3374 -3.3743 -3.3743 -3.3644 -3.3644 0.0176 0.0176 0.3840 0.3840 0.5462 0.5462 0.8616 0.8616 0.8717 0.8717 1.2698 1.2698 2.8686 2.8686 2.8761 2.8761 12.5817 12.5817 12.8434 12.8434 12.8621 12.8621 12.9032 12.9032 k = 0.3646 0.3363 0.0000 ( 2274 PWs) bands (ev): -17.6240 -17.6240 -15.9423 -15.9423 -15.0153 -15.0153 -15.0100 -15.0100 -6.1750 -6.1750 -4.3891 -4.3891 -3.3463 -3.3463 -3.3361 -3.3361 0.0027 0.0027 0.4102 0.4102 0.5165 0.5165 0.8279 0.8279 0.8375 0.8375 1.2519 1.2519 2.8767 2.8767 2.8838 2.8838 12.6518 12.6518 12.8205 12.8205 12.8377 12.8377 12.9412 12.9412 k = 0.3750 0.3459 0.0000 ( 2282 PWs) bands (ev): -17.5920 -17.5920 -15.9880 -15.9880 -15.0178 -15.0178 -15.0125 -15.0125 -6.1010 -6.1010 -4.4421 -4.4421 -3.3194 -3.3194 -3.3090 -3.3090 -0.0117 -0.0117 0.4244 0.4244 0.5015 0.5015 0.7956 0.7956 0.8048 0.8048 1.2330 1.2330 2.8845 2.8845 2.8912 2.8912 12.7185 12.7185 12.7984 12.7984 12.8147 12.8147 12.9778 12.9778 k = 0.3854 0.3555 0.0000 ( 2282 PWs) bands (ev): -17.5604 -17.5604 -16.0323 -16.0323 -15.0201 -15.0201 -15.0148 -15.0148 -6.0271 -6.0271 -4.4964 -4.4964 -3.2938 -3.2938 -3.2832 -3.2832 -0.0254 -0.0254 0.4148 0.4148 0.5130 0.5130 0.7650 0.7650 0.7737 0.7737 1.2130 1.2130 2.8918 2.8918 2.8982 2.8982 12.7736 12.7736 12.7852 12.7852 12.7939 12.7939 13.0121 13.0121 k = 0.3958 0.3651 0.0000 ( 2282 PWs) bands (ev): -17.5294 -17.5294 -16.0750 -16.0750 -15.0223 -15.0223 -15.0170 -15.0170 -5.9534 -5.9534 -4.5519 -4.5519 -3.2697 -3.2697 -3.2590 -3.2590 -0.0382 -0.0382 0.3927 0.3927 0.5394 0.5394 0.7362 0.7362 0.7446 0.7446 1.1921 1.1921 2.8987 2.8988 2.9048 2.9048 12.7575 12.7575 12.7737 12.7737 12.8418 12.8418 13.0439 13.0439 k = 0.4062 0.3747 0.0000 ( 2290 PWs) bands (ev): -17.4994 -17.4994 -16.1157 -16.1157 -15.0243 -15.0243 -15.0189 -15.0189 -5.8800 -5.8800 -4.6086 -4.6086 -3.2474 -3.2474 -3.2365 -3.2365 -0.0500 -0.0500 0.3686 0.3686 0.5702 0.5702 0.7095 0.7095 0.7174 0.7174 1.1702 1.1702 2.9051 2.9051 2.9109 2.9109 12.7400 12.7400 12.7558 12.7558 12.8963 12.8963 13.0731 13.0731 k = 0.4167 0.3843 0.0000 ( 2290 PWs) bands (ev): -17.4706 -17.4706 -16.1540 -16.1540 -15.0261 -15.0261 -15.0207 -15.0207 -5.8073 -5.8073 -4.6662 -4.6662 -3.2268 -3.2268 -3.2158 -3.2158 -0.0608 -0.0608 0.3455 0.3455 0.6022 0.6022 0.6850 0.6850 0.6926 0.6926 1.1475 1.1475 2.9110 2.9110 2.9164 2.9164 12.7241 12.7241 12.7397 12.7397 12.9462 12.9462 13.0996 13.0996 k = 0.4271 0.3939 0.0000 ( 2290 PWs) bands (ev): -17.4436 -17.4436 -16.1897 -16.1897 -15.0277 -15.0277 -15.0223 -15.0223 -5.7353 -5.7353 -4.7247 -4.7247 -3.2083 -3.2083 -3.1971 -3.1971 -0.0704 -0.0704 0.3244 0.3244 0.6343 0.6343 0.6630 0.6630 0.6702 0.6702 1.1243 1.1243 2.9163 2.9163 2.9214 2.9214 12.7100 12.7100 12.7253 12.7253 12.9908 12.9908 13.1233 13.1233 k = 0.4375 0.4035 0.0000 ( 2290 PWs) bands (ev): -17.4186 -17.4186 -16.2221 -16.2221 -15.0290 -15.0290 -15.0237 -15.0237 -5.6646 -5.6646 -4.7836 -4.7836 -3.1919 -3.1919 -3.1806 -3.1806 -0.0788 -0.0788 0.3057 0.3057 0.6430 0.6430 0.6501 0.6501 0.6668 0.6668 1.1006 1.1006 2.9209 2.9209 2.9258 2.9258 12.6977 12.6977 12.7128 12.7128 13.0300 13.0300 13.1441 13.1441 k = 0.4479 0.4131 0.0000 ( 2290 PWs) bands (ev): -17.3962 -17.3962 -16.2508 -16.2508 -15.0302 -15.0302 -15.0249 -15.0249 -5.5955 -5.5955 -4.8427 -4.8427 -3.1778 -3.1778 -3.1663 -3.1663 -0.0860 -0.0860 0.2896 0.2896 0.6263 0.6263 0.6332 0.6332 0.6972 0.6972 1.0770 1.0770 2.9249 2.9249 2.9295 2.9295 12.6872 12.6872 12.7022 12.7022 13.0634 13.0634 13.1621 13.1621 k = 0.4583 0.4227 0.0000 ( 2290 PWs) bands (ev): -17.3769 -17.3769 -16.2753 -16.2753 -15.0312 -15.0312 -15.0259 -15.0259 -5.5289 -5.5289 -4.9010 -4.9010 -3.1661 -3.1661 -3.1545 -3.1545 -0.0919 -0.0919 0.2763 0.2763 0.6124 0.6124 0.6191 0.6191 0.7261 0.7261 1.0539 1.0539 2.9283 2.9283 2.9326 2.9326 12.6786 12.6786 12.6935 12.6935 13.0907 13.0907 13.1772 13.1772 k = 0.4688 0.4323 0.0000 ( 2290 PWs) bands (ev): -17.3612 -17.3612 -16.2951 -16.2951 -15.0320 -15.0320 -15.0266 -15.0266 -5.4664 -5.4664 -4.9570 -4.9570 -3.1568 -3.1568 -3.1452 -3.1452 -0.0965 -0.0965 0.2658 0.2658 0.6014 0.6014 0.6079 0.6079 0.7522 0.7522 1.0324 1.0324 2.9309 2.9309 2.9351 2.9351 12.6719 12.6719 12.6867 12.6867 13.1120 13.1120 13.1892 13.1892 k = 0.4792 0.4420 0.0000 ( 2290 PWs) bands (ev): -17.3496 -17.3496 -16.3096 -16.3096 -15.0325 -15.0325 -15.0272 -15.0272 -5.4112 -5.4112 -5.0076 -5.0076 -3.1502 -3.1502 -3.1385 -3.1385 -0.0998 -0.0998 0.2583 0.2583 0.5935 0.5935 0.5999 0.5999 0.7740 0.7740 1.0139 1.0139 2.9327 2.9327 2.9368 2.9368 12.6671 12.6671 12.6818 12.6818 13.1271 13.1271 13.1979 13.1979 k = 0.4896 0.4516 0.0000 ( 2282 PWs) bands (ev): -17.3425 -17.3425 -16.3185 -16.3185 -15.0329 -15.0329 -15.0275 -15.0275 -5.3698 -5.3698 -5.0462 -5.0462 -3.1462 -3.1462 -3.1344 -3.1344 -0.1018 -0.1018 0.2538 0.2538 0.5888 0.5888 0.5951 0.5951 0.7890 0.7890 1.0010 1.0010 2.9339 2.9339 2.9379 2.9379 12.6642 12.6642 12.6789 12.6789 13.1361 13.1361 13.2033 13.2033 k = 0.5000 0.4612 0.0000 ( 2286 PWs) bands (ev): -17.3401 -17.3401 -16.3215 -16.3215 -15.0330 -15.0330 -15.0276 -15.0276 -5.3535 -5.3535 -5.0615 -5.0615 -3.1448 -3.1448 -3.1331 -3.1331 -0.1024 -0.1024 0.2523 0.2523 0.5872 0.5872 0.5935 0.5935 0.7945 0.7945 0.9962 0.9962 2.9343 2.9343 2.9382 2.9382 12.6633 12.6633 12.6779 12.6779 13.1391 13.1391 13.2051 13.2051 k = 0.5000 0.4612 0.0000 ( 2286 PWs) bands (ev): -17.3401 -17.3401 -16.3215 -16.3215 -15.0330 -15.0330 -15.0276 -15.0276 -5.3535 -5.3535 -5.0615 -5.0615 -3.1448 -3.1448 -3.1331 -3.1331 -0.1024 -0.1024 0.2523 0.2523 0.5872 0.5872 0.5935 0.5935 0.7945 0.7945 0.9962 0.9962 2.9343 2.9343 2.9382 2.9382 12.6633 12.6633 12.6779 12.6779 13.1391 13.1391 13.2051 13.2051 k = 0.4932 0.4686 0.0101 ( 2282 PWs) bands (ev): -17.3401 -17.3400 -16.3216 -16.3214 -15.0331 -15.0328 -15.0276 -15.0276 -5.3538 -5.3537 -5.0621 -5.0615 -3.1451 -3.1447 -3.1334 -3.1329 -0.1053 -0.1036 0.2460 0.2489 0.5829 0.5846 0.5986 0.6007 0.7974 0.7987 0.9988 0.9992 2.9336 2.9340 2.9376 2.9380 12.6615 12.6630 12.6767 12.6770 13.1401 13.1416 13.2063 13.2065 k = 0.4863 0.4760 0.0202 ( 2298 PWs) bands (ev): -17.3400 -17.3400 -16.3217 -16.3213 -15.0333 -15.0326 -15.0276 -15.0275 -5.3546 -5.3544 -5.0631 -5.0619 -3.1460 -3.1453 -3.1335 -3.1323 -0.1124 -0.1091 0.2322 0.2375 0.5670 0.5691 0.6221 0.6248 0.8061 0.8085 1.0069 1.0078 2.9321 2.9330 2.9362 2.9369 12.6574 12.6604 12.6738 12.6743 13.1447 13.1475 13.2101 13.2105 k = 0.4795 0.4834 0.0303 ( 2290 PWs) bands (ev): -17.3398 -17.3398 -16.3218 -16.3211 -15.0336 -15.0326 -15.0274 -15.0272 -5.3562 -5.3558 -5.0642 -5.0625 -3.1481 -3.1475 -3.1326 -3.1305 -0.1240 -0.1192 0.2150 0.2221 0.5434 0.5459 0.6577 0.6609 0.8178 0.8209 1.0206 1.0219 2.9297 2.9310 2.9341 2.9351 12.6509 12.6549 12.6696 12.6707 13.1524 13.1565 13.2167 13.2172 k = 0.4726 0.4908 0.0404 ( 2294 PWs) bands (ev): -17.3397 -17.3397 -16.3219 -16.3210 -15.0341 -15.0328 -15.0270 -15.0266 -5.3588 -5.3583 -5.0652 -5.0629 -3.1521 -3.1514 -3.1302 -3.1272 -0.1405 -0.1344 0.1983 0.2068 0.5153 0.5180 0.7017 0.7051 0.8301 0.8336 1.0396 1.0411 2.9263 2.9281 2.9312 2.9325 12.6415 12.6461 12.6646 12.6669 13.1629 13.1679 13.2264 13.2269 k = 0.4658 0.4983 0.0505 ( 2299 PWs) bands (ev): -17.3396 -17.3395 -16.3218 -16.3207 -15.0348 -15.0332 -15.0263 -15.0256 -5.3630 -5.3623 -5.0656 -5.0627 -3.1580 -3.1572 -3.1263 -3.1225 -0.1618 -0.1548 0.1849 0.1942 0.4844 0.4873 0.7509 0.7544 0.8419 0.8456 1.0633 1.0650 2.9218 2.9242 2.9277 2.9291 12.6291 12.6343 12.6595 12.6630 13.1755 13.1809 13.2392 13.2400 k = 0.4590 0.5057 0.0605 ( 2299 PWs) bands (ev): -17.3395 -17.3395 -16.3217 -16.3203 -15.0358 -15.0340 -15.0252 -15.0243 -5.3693 -5.3685 -5.0647 -5.0614 -3.1653 -3.1644 -3.1213 -3.1167 -0.1876 -0.1802 0.1761 0.1857 0.4520 0.4550 0.8028 0.8063 0.8539 0.8574 1.0907 1.0925 2.9164 2.9193 2.9236 2.9251 12.6141 12.6196 12.6546 12.6591 13.1896 13.1951 13.2554 13.2568 k = 0.4521 0.5131 0.0706 ( 2291 PWs) bands (ev): -17.3395 -17.3395 -16.3214 -16.3198 -15.0369 -15.0349 -15.0237 -15.0226 -5.3783 -5.3772 -5.0620 -5.0582 -3.1742 -3.1731 -3.1153 -3.1099 -0.2172 -0.2096 0.1721 0.1816 0.4189 0.4219 0.8462 0.8514 0.8751 0.8785 1.1210 1.1229 2.9098 2.9132 2.9189 2.9205 12.5966 12.6024 12.6499 12.6553 13.2049 13.2100 13.2750 13.2774 k = 0.4453 0.5205 0.0807 ( 2291 PWs) bands (ev): -17.3398 -17.3397 -16.3208 -16.3190 -15.0383 -15.0361 -15.0219 -15.0206 -5.3903 -5.3891 -5.0570 -5.0529 -3.1844 -3.1832 -3.1084 -3.1024 -0.2497 -0.2421 0.1727 0.1819 0.3856 0.3886 0.8624 0.8681 0.9250 0.9287 1.1533 1.1553 2.9021 2.9059 2.9136 2.9152 12.5770 12.5831 12.6455 12.6516 13.2209 13.2255 13.2978 13.3013 k = 0.4384 0.5279 0.0908 ( 2291 PWs) bands (ev): -17.3403 -17.3402 -16.3199 -16.3179 -15.0397 -15.0373 -15.0199 -15.0183 -5.4057 -5.4043 -5.0495 -5.0451 -3.1959 -3.1945 -3.1007 -3.0940 -0.2840 -0.2766 0.1772 0.1858 0.3525 0.3555 0.8715 0.8772 0.9834 0.9869 1.1870 1.1891 2.8933 2.8976 2.9078 2.9094 12.5554 12.5619 12.6417 12.6484 13.2377 13.2417 13.3235 13.3280 k = 0.4316 0.5353 0.1009 ( 2295 PWs) bands (ev): -17.3411 -17.3411 -16.3186 -16.3164 -15.0413 -15.0387 -15.0176 -15.0158 -5.4247 -5.4230 -5.0392 -5.0346 -3.2086 -3.2071 -3.0924 -3.0851 -0.3194 -0.3121 0.1850 0.1929 0.3201 0.3230 0.8792 0.8851 1.0437 1.0469 1.2215 1.2237 2.8833 2.8880 2.9014 2.9030 12.5323 12.5389 12.6384 12.6456 13.2554 13.2589 13.3516 13.3571 k = 0.4247 0.5428 0.1110 ( 2295 PWs) bands (ev): -17.3424 -17.3423 -16.3168 -16.3145 -15.0428 -15.0401 -15.0150 -15.0129 -5.4472 -5.4453 -5.0262 -5.0214 -3.2225 -3.2209 -3.0835 -3.0757 -0.3550 -0.3479 0.1953 0.2021 0.2888 0.2918 0.8866 0.8926 1.1047 1.1077 1.2565 1.2588 2.8721 2.8773 2.8944 2.8960 12.5077 12.5145 12.6359 12.6435 13.2740 13.2769 13.3818 13.3882 k = 0.4179 0.5502 0.1211 ( 2293 PWs) bands (ev): -17.3441 -17.3441 -16.3145 -16.3120 -15.0444 -15.0415 -15.0121 -15.0099 -5.4730 -5.4709 -5.0106 -5.0057 -3.2376 -3.2358 -3.0741 -3.0658 -0.3903 -0.3834 0.2068 0.2111 0.2599 0.2638 0.8939 0.9001 1.1660 1.1686 1.2917 1.2944 2.8598 2.8653 2.8869 2.8885 12.4818 12.4889 12.6342 12.6421 13.2935 13.2960 13.4135 13.4207 k = 0.4111 0.5576 0.1312 ( 2297 PWs) bands (ev): -17.3465 -17.3465 -16.3114 -16.3088 -15.0459 -15.0428 -15.0090 -15.0066 -5.5020 -5.4996 -4.9927 -4.9876 -3.2537 -3.2518 -3.0643 -3.0556 -0.4248 -0.4181 0.2093 0.2115 0.2411 0.2499 0.9012 0.9077 1.2271 1.2291 1.3271 1.3304 2.8462 2.8521 2.8790 2.8806 12.4550 12.4623 12.6334 12.6415 13.3139 13.3161 13.4466 13.4544 k = 0.4042 0.5650 0.1413 ( 2293 PWs) bands (ev): -17.3496 -17.3496 -16.3076 -16.3048 -15.0473 -15.0441 -15.0056 -15.0030 -5.5339 -5.5313 -4.9728 -4.9675 -3.2709 -3.2688 -3.0543 -3.0451 -0.4581 -0.4516 0.1884 0.1920 0.2491 0.2586 0.9088 0.9155 1.2871 1.2881 1.3629 1.3673 2.8313 2.8376 2.8706 2.8722 12.4275 12.4350 12.6334 12.6417 13.3352 13.3371 13.4806 13.4890 k = 0.3974 0.5724 0.1514 ( 2293 PWs) bands (ev): -17.3535 -17.3534 -16.3029 -16.2999 -15.0487 -15.0453 -15.0021 -14.9992 -5.5684 -5.5656 -4.9510 -4.9456 -3.2890 -3.2868 -3.0441 -3.0345 -0.4900 -0.4836 0.1625 0.1658 0.2667 0.2753 0.9166 0.9236 1.3432 1.3449 1.4005 1.4068 2.8152 2.8219 2.8618 2.8634 12.3994 12.4071 12.6344 12.6428 13.3572 13.3588 13.5153 13.5242 k = 0.3905 0.5798 0.1614 ( 2281 PWs) bands (ev): -17.3583 -17.3582 -16.2972 -16.2941 -15.0498 -15.0464 -14.9982 -14.9952 -5.6052 -5.6024 -4.9277 -4.9221 -3.3081 -3.3057 -3.0338 -3.0238 -0.5202 -0.5139 0.1368 0.1397 0.2870 0.2951 0.9247 0.9319 1.3922 1.3959 1.4432 1.4517 2.7979 2.8049 2.8526 2.8543 12.3709 12.3788 12.6362 12.6447 13.3798 13.3813 13.5503 13.5597 k = 0.3837 0.5873 0.1715 ( 2285 PWs) bands (ev): -17.3640 -17.3640 -16.2904 -16.2872 -15.0509 -15.0473 -14.9942 -14.9910 -5.6443 -5.6413 -4.9031 -4.8974 -3.3280 -3.3255 -3.0235 -3.0132 -0.5486 -0.5423 0.1121 0.1148 0.3092 0.3167 0.9330 0.9404 1.4328 1.4372 1.4941 1.5032 2.7794 2.7867 2.8431 2.8448 12.3424 12.3505 12.6389 12.6474 13.4027 13.4043 13.5855 13.5953 k = 0.3769 0.5947 0.1816 ( 2289 PWs) bands (ev): -17.3709 -17.3708 -16.2824 -16.2791 -15.0517 -15.0480 -14.9899 -14.9866 -5.6853 -5.6822 -4.8774 -4.8716 -3.3486 -3.3460 -3.0132 -3.0026 -0.5750 -0.5687 0.0889 0.0914 0.3327 0.3399 0.9417 0.9493 1.4674 1.4715 1.5502 1.5589 2.7596 2.7672 2.8334 2.8351 12.3138 12.3222 12.6425 12.6510 13.4258 13.4275 13.6205 13.6307 k = 0.3700 0.6021 0.1917 ( 2285 PWs) bands (ev): -17.3788 -17.3788 -16.2732 -16.2698 -15.0523 -15.0485 -14.9855 -14.9819 -5.7281 -5.7249 -4.8510 -4.8451 -3.3700 -3.3672 -3.0031 -2.9923 -0.5992 -0.5930 0.0674 0.0698 0.3576 0.3644 0.9506 0.9585 1.4983 1.5020 1.6079 1.6162 2.7387 2.7466 2.8235 2.8252 12.2855 12.2941 12.6469 12.6554 13.4489 13.4508 13.6552 13.6658 k = 0.3632 0.6095 0.2018 ( 2283 PWs) bands (ev): -17.3879 -17.3879 -16.2626 -16.2592 -15.0527 -15.0488 -14.9808 -14.9771 -5.7724 -5.7692 -4.8239 -4.8179 -3.3921 -3.3891 -2.9932 -2.9821 -0.6213 -0.6151 0.0478 0.0500 0.3835 0.3901 0.9598 0.9679 1.5266 1.5300 1.6656 1.6736 2.7167 2.7248 2.8134 2.8152 12.2576 12.2665 12.6520 12.6605 13.4715 13.4738 13.6893 13.7002 k = 0.3563 0.6169 0.2119 ( 2285 PWs) bands (ev): -17.3982 -17.3982 -16.2506 -16.2471 -15.0528 -15.0488 -14.9760 -14.9721 -5.8182 -5.8149 -4.7965 -4.7904 -3.4147 -3.4116 -2.9836 -2.9724 -0.6412 -0.6349 0.0302 0.0322 0.4105 0.4168 0.9693 0.9776 1.5527 1.5560 1.7227 1.7305 2.6937 2.7020 2.8033 2.8051 12.2303 12.2394 12.6579 12.6663 13.4935 13.4961 13.7226 13.7337 k = 0.3563 0.6169 0.2119 ( 2285 PWs) bands (ev): -17.3982 -17.3982 -16.2506 -16.2471 -15.0528 -15.0488 -14.9760 -14.9721 -5.8182 -5.8149 -4.7965 -4.7904 -3.4147 -3.4116 -2.9836 -2.9724 -0.6412 -0.6349 0.0302 0.0322 0.4105 0.4168 0.9693 0.9776 1.5527 1.5560 1.7227 1.7305 2.6937 2.7020 2.8033 2.8051 12.2303 12.2394 12.6579 12.6663 13.4935 13.4961 13.7226 13.7337 k = 0.3440 0.6130 0.2173 ( 2283 PWs) bands (ev): -17.4051 -17.4051 -16.2427 -16.2391 -15.0527 -15.0486 -14.9732 -14.9693 -5.8459 -5.8426 -4.7793 -4.7732 -3.4274 -3.4243 -2.9794 -2.9680 -0.6502 -0.6439 0.0222 0.0241 0.4257 0.4319 0.9727 0.9811 1.5671 1.5704 1.7534 1.7611 2.6810 2.6895 2.7977 2.7995 12.2163 12.2255 12.6616 12.6700 13.5037 13.5065 13.7394 13.7507 k = 0.3318 0.6090 0.2227 ( 2286 PWs) bands (ev): -17.4138 -17.4138 -16.2326 -16.2290 -15.0521 -15.0480 -14.9703 -14.9663 -5.8787 -5.8754 -4.7579 -4.7517 -3.4410 -3.4377 -2.9766 -2.9652 -0.6573 -0.6510 0.0158 0.0179 0.4417 0.4478 0.9727 0.9814 1.5830 1.5866 1.7846 1.7922 2.6684 2.6769 2.7919 2.7938 12.2034 12.2127 12.6660 12.6744 13.5112 13.5142 13.7549 13.7663 k = 0.3195 0.6050 0.2281 ( 2286 PWs) bands (ev): -17.4240 -17.4240 -16.2207 -16.2171 -15.0511 -15.0470 -14.9672 -14.9631 -5.9155 -5.9123 -4.7331 -4.7268 -3.4551 -3.4519 -2.9754 -2.9639 -0.6625 -0.6562 0.0110 0.0133 0.4587 0.4647 0.9697 0.9788 1.6003 1.6043 1.8159 1.8235 2.6561 2.6646 2.7859 2.7880 12.1916 12.2010 12.6712 12.6796 13.5162 13.5193 13.7691 13.7806 k = 0.3072 0.6010 0.2335 ( 2287 PWs) bands (ev): -17.4356 -17.4356 -16.2073 -16.2037 -15.0497 -15.0455 -14.9640 -14.9597 -5.9557 -5.9525 -4.7056 -4.6993 -3.4698 -3.4665 -2.9755 -2.9640 -0.6660 -0.6596 0.0076 0.0102 0.4766 0.4824 0.9639 0.9734 1.6185 1.6230 1.8469 1.8545 2.6441 2.6526 2.7799 2.7822 12.1808 12.1903 12.6771 12.6856 13.5188 13.5219 13.7821 13.7935 k = 0.2949 0.5970 0.2389 ( 2285 PWs) bands (ev): -17.4483 -17.4483 -16.1927 -16.1891 -15.0478 -15.0437 -14.9606 -14.9562 -5.9982 -5.9951 -4.6762 -4.6699 -3.4848 -3.4814 -2.9770 -2.9655 -0.6677 -0.6614 0.0055 0.0084 0.4953 0.5010 0.9558 0.9658 1.6372 1.6423 1.8774 1.8850 2.6329 2.6413 2.7739 2.7765 12.1712 12.1806 12.6839 12.6925 13.5190 13.5221 13.7938 13.8052 k = 0.2826 0.5931 0.2443 ( 2289 PWs) bands (ev): -17.4618 -17.4618 -16.1772 -16.1736 -15.0456 -15.0414 -14.9570 -14.9525 -6.0426 -6.0394 -4.6455 -4.6392 -3.4999 -3.4964 -2.9799 -2.9684 -0.6679 -0.6616 0.0046 0.0078 0.5148 0.5203 0.9458 0.9564 1.6560 1.6617 1.9068 1.9143 2.6226 2.6308 2.7681 2.7711 12.1626 12.1720 12.6915 12.7001 13.5171 13.5202 13.8043 13.8156 k = 0.2703 0.5891 0.2498 ( 2289 PWs) bands (ev): -17.4760 -17.4759 -16.1610 -16.1576 -15.0430 -15.0388 -14.9533 -14.9487 -6.0880 -6.0850 -4.6140 -4.6078 -3.5149 -3.5113 -2.9840 -2.9725 -0.6665 -0.6603 0.0046 0.0082 0.5349 0.5403 0.9344 0.9456 1.6743 1.6807 1.9347 1.9422 2.6136 2.6216 2.7627 2.7661 12.1551 12.1644 12.7000 12.7086 13.5133 13.5163 13.8136 13.8247 k = 0.2580 0.5851 0.2552 ( 2289 PWs) bands (ev): -17.4905 -17.4904 -16.1446 -16.1411 -15.0400 -15.0358 -14.9494 -14.9447 -6.1341 -6.1311 -4.5822 -4.5760 -3.5295 -3.5259 -2.9894 -2.9780 -0.6637 -0.6575 0.0054 0.0095 0.5554 0.5607 0.9221 0.9341 1.6918 1.6987 1.9608 1.9683 2.6059 2.6136 2.7579 2.7617 12.1486 12.1578 12.7092 12.7178 13.5078 13.5106 13.8217 13.8326 k = 0.2457 0.5811 0.2606 ( 2291 PWs) bands (ev): -17.5053 -17.5052 -16.1279 -16.1245 -15.0367 -15.0325 -14.9453 -14.9405 -6.1804 -6.1775 -4.5505 -4.5443 -3.5437 -3.5400 -2.9959 -2.9845 -0.6596 -0.6535 0.0069 0.0114 0.5760 0.5812 0.9097 0.9225 1.7078 1.7154 1.9848 1.9921 2.5998 2.6072 2.7539 2.7583 12.1431 12.1522 12.7192 12.7278 13.5008 13.5035 13.8286 13.8393 k = 0.2335 0.5772 0.2660 ( 2289 PWs) bands (ev): -17.5201 -17.5200 -16.1114 -16.1080 -15.0331 -15.0289 -14.9411 -14.9363 -6.2264 -6.2236 -4.5192 -4.5131 -3.5571 -3.5533 -3.0036 -2.9922 -0.6543 -0.6483 0.0090 0.0139 0.5961 0.6014 0.8978 0.9115 1.7218 1.7301 2.0063 2.0135 2.5953 2.6023 2.7512 2.7561 12.1386 12.1475 12.7299 12.7385 13.4925 13.4951 13.8342 13.8447 k = 0.2212 0.5732 0.2714 ( 2291 PWs) bands (ev): -17.5349 -17.5348 -16.0951 -16.0918 -15.0293 -15.0251 -14.9368 -14.9318 -6.2718 -6.2691 -4.4887 -4.4827 -3.5695 -3.5657 -3.0122 -3.0010 -0.6479 -0.6420 0.0114 0.0167 0.6150 0.6204 0.8874 0.9021 1.7334 1.7423 2.0255 2.0325 2.5923 2.5989 2.7502 2.7555 12.1350 12.1436 12.7413 12.7498 13.4832 13.4856 13.8388 13.8490 k = 0.2089 0.5692 0.2768 ( 2291 PWs) bands (ev): -17.5494 -17.5493 -16.0792 -16.0760 -15.0253 -15.0211 -14.9322 -14.9273 -6.3164 -6.3137 -4.4593 -4.4534 -3.5807 -3.5768 -3.0219 -3.0108 -0.6404 -0.6346 0.0141 0.0197 0.6317 0.6373 0.8800 0.8956 1.7421 1.7516 2.0422 2.0490 2.5903 2.5965 2.7511 2.7569 12.1323 12.1406 12.7532 12.7616 13.4730 13.4753 13.8422 13.8521 k = 0.1966 0.5652 0.2822 ( 2290 PWs) bands (ev): -17.5636 -17.5635 -16.0638 -16.0608 -15.0211 -15.0170 -14.9276 -14.9226 -6.3597 -6.3572 -4.4311 -4.4255 -3.5906 -3.5866 -3.0324 -3.0214 -0.6321 -0.6265 0.0170 0.0229 0.6448 0.6505 0.8770 0.8933 1.7475 1.7575 2.0569 2.0634 2.5890 2.5949 2.7544 2.7606 12.1304 12.1385 12.7655 12.7738 13.4621 13.4644 13.8447 13.8543 k = 0.1843 0.5613 0.2876 ( 2289 PWs) bands (ev): -17.5773 -17.5772 -16.0491 -16.0462 -15.0169 -15.0129 -14.9228 -14.9179 -6.4016 -6.3992 -4.4046 -4.3991 -3.5988 -3.5947 -3.0437 -3.0329 -0.6230 -0.6175 0.0200 0.0261 0.6531 0.6587 0.8802 0.8967 1.7491 1.7595 2.0698 2.0761 2.5879 2.5935 2.7604 2.7667 12.1293 12.1370 12.7782 12.7862 13.4508 13.4531 13.8462 13.8555 k = 0.1720 0.5573 0.2930 ( 2295 PWs) bands (ev): -17.5905 -17.5904 -16.0351 -16.0323 -15.0126 -15.0088 -14.9179 -14.9131 -6.4418 -6.4395 -4.3798 -4.3746 -3.6053 -3.6011 -3.0558 -3.0452 -0.6133 -0.6080 0.0229 0.0292 0.6560 0.6612 0.8902 0.9066 1.7467 1.7575 2.0815 2.0874 2.5866 2.5920 2.7690 2.7753 12.1290 12.1363 12.7910 12.7988 13.4393 13.4415 13.8469 13.8559 k = 0.1597 0.5533 0.2984 ( 2295 PWs) bands (ev): -17.6031 -17.6030 -16.0220 -16.0193 -15.0085 -15.0047 -14.9129 -14.9082 -6.4801 -6.4780 -4.3570 -4.3521 -3.6100 -3.6056 -3.0685 -3.0581 -0.6031 -0.5980 0.0257 0.0322 0.6537 0.6583 0.9070 0.9228 1.7402 1.7513 2.0921 2.0977 2.5850 2.5900 2.7801 2.7863 12.1293 12.1362 12.8038 12.8114 13.4276 13.4299 13.8470 13.8555 k = 0.1474 0.5493 0.3038 ( 2300 PWs) bands (ev): -17.6150 -17.6149 -16.0097 -16.0072 -15.0044 -15.0008 -14.9079 -14.9033 -6.5164 -6.5144 -4.3363 -4.3317 -3.6126 -3.6082 -3.0817 -3.0716 -0.5926 -0.5877 0.0285 0.0350 0.6472 0.6512 0.9295 0.9444 1.7297 1.7410 2.1021 2.1073 2.5828 2.5874 2.7932 2.7991 12.1302 12.1367 12.8164 12.8237 13.4161 13.4184 13.8464 13.8546 k = 0.1352 0.5454 0.3092 ( 2300 PWs) bands (ev): -17.6262 -17.6261 -15.9984 -15.9960 -15.0005 -14.9971 -14.9029 -14.8986 -6.5504 -6.5485 -4.3178 -4.3135 -3.6132 -3.6087 -3.0953 -3.0855 -0.5819 -0.5773 0.0310 0.0375 0.6377 0.6413 0.9563 0.9703 1.7155 1.7267 2.1116 2.1164 2.5801 2.5844 2.8078 2.8132 12.1316 12.1376 12.8287 12.8357 13.4048 13.4072 13.8455 13.8532 k = 0.1229 0.5414 0.3147 ( 2301 PWs) bands (ev): -17.6365 -17.6364 -15.9880 -15.9858 -14.9968 -14.9936 -14.8980 -14.8939 -6.5819 -6.5802 -4.3015 -4.2976 -3.6119 -3.6074 -3.1091 -3.0997 -0.5712 -0.5669 0.0333 0.0398 0.6264 0.6298 0.9861 0.9995 1.6977 1.7090 2.1207 2.1250 2.5772 2.5811 2.8233 2.8281 12.1334 12.1390 12.8404 12.8470 13.3941 13.3964 13.8443 13.8515 k = 0.1106 0.5374 0.3201 ( 2299 PWs) bands (ev): -17.6460 -17.6459 -15.9785 -15.9766 -14.9933 -14.9904 -14.8932 -14.8894 -6.6109 -6.6094 -4.2873 -4.2838 -3.6089 -3.6043 -3.1229 -3.1140 -0.5607 -0.5567 0.0354 0.0417 0.6143 0.6175 1.0183 1.0310 1.6768 1.6880 2.1292 2.1332 2.5740 2.5775 2.8389 2.8433 12.1356 12.1406 12.8516 12.8577 13.3839 13.3862 13.8429 13.8496 k = 0.0983 0.5334 0.3255 ( 2297 PWs) bands (ev): -17.6546 -17.6545 -15.9701 -15.9683 -14.9901 -14.9875 -14.8886 -14.8851 -6.6372 -6.6358 -4.2753 -4.2722 -3.6042 -3.5997 -3.1366 -3.1282 -0.5506 -0.5469 0.0373 0.0433 0.6020 0.6052 1.0520 1.0641 1.6532 1.6643 2.1373 2.1408 2.5708 2.5739 2.8543 2.8582 12.1379 12.1425 12.8618 12.8675 13.3745 13.3768 13.8414 13.8475 k = 0.0860 0.5295 0.3309 ( 2297 PWs) bands (ev): -17.6622 -17.6621 -15.9627 -15.9611 -14.9873 -14.9850 -14.8843 -14.8812 -6.6607 -6.6594 -4.2653 -4.2626 -3.5983 -3.5939 -3.1499 -3.1421 -0.5410 -0.5377 0.0389 0.0445 0.5903 0.5933 1.0867 1.0983 1.6274 1.6383 2.1447 2.1477 2.5677 2.5704 2.8689 2.8722 12.1404 12.1445 12.8712 12.8763 13.3660 13.3682 13.8399 13.8455 k = 0.0737 0.5255 0.3363 ( 2301 PWs) bands (ev): -17.6689 -17.6688 -15.9562 -15.9549 -14.9848 -14.9827 -14.8803 -14.8776 -6.6812 -6.6802 -4.2571 -4.2547 -3.5916 -3.5874 -3.1624 -3.1553 -0.5322 -0.5293 0.0403 0.0454 0.5794 0.5822 1.1218 1.1330 1.5998 1.6105 2.1513 2.1539 2.5648 2.5671 2.8823 2.8852 12.1429 12.1464 12.8795 12.8840 13.3584 13.3605 13.8386 13.8435 k = 0.0614 0.5215 0.3417 ( 2302 PWs) bands (ev): -17.6746 -17.6745 -15.9507 -15.9496 -14.9826 -14.9809 -14.8768 -14.8745 -6.6988 -6.6979 -4.2505 -4.2486 -3.5845 -3.5807 -3.1739 -3.1677 -0.5243 -0.5218 0.0416 0.0460 0.5698 0.5723 1.1570 1.1676 1.5712 1.5816 2.1572 2.1593 2.5622 2.5641 2.8943 2.8966 12.1453 12.1482 12.8867 12.8905 13.3520 13.3538 13.8375 13.8416 k = 0.0491 0.5175 0.3471 ( 2300 PWs) bands (ev): -17.6793 -17.6792 -15.9463 -15.9454 -14.9807 -14.9794 -14.8738 -14.8719 -6.7132 -6.7125 -4.2454 -4.2439 -3.5775 -3.5742 -3.1840 -3.1787 -0.5176 -0.5155 0.0426 0.0463 0.5616 0.5638 1.1913 1.2013 1.5424 1.5522 2.1621 2.1638 2.5600 2.5616 2.9044 2.9062 12.1474 12.1498 12.8926 12.8958 13.3467 13.3482 13.8366 13.8400 k = 0.0369 0.5136 0.3525 ( 2296 PWs) bands (ev): -17.6829 -17.6829 -15.9428 -15.9421 -14.9793 -14.9782 -14.8713 -14.8699 -6.7244 -6.7239 -4.2415 -4.2404 -3.5712 -3.5686 -3.1922 -3.1881 -0.5120 -0.5105 0.0435 0.0464 0.5552 0.5569 1.2239 1.2329 1.5145 1.5234 2.1661 2.1674 2.5583 2.5595 2.9126 2.9139 12.1493 12.1511 12.8974 12.8998 13.3426 13.3438 13.8359 13.8385 k = 0.0246 0.5096 0.3579 ( 2293 PWs) bands (ev): -17.6856 -17.6855 -15.9402 -15.9398 -14.9782 -14.9775 -14.8694 -14.8685 -6.7325 -6.7321 -4.2389 -4.2381 -3.5661 -3.5642 -3.1982 -3.1953 -0.5079 -0.5068 0.0443 0.0463 0.5506 0.5517 1.2528 1.2602 1.4899 1.4972 2.1690 2.1698 2.5571 2.5579 2.9186 2.9195 12.1508 12.1520 12.9010 12.9026 13.3397 13.3406 13.8356 13.8374 k = 0.0123 0.5056 0.3633 ( 2294 PWs) bands (ev): -17.6871 -17.6871 -15.9387 -15.9384 -14.9774 -14.9771 -14.8682 -14.8677 -6.7373 -6.7371 -4.2372 -4.2369 -3.5626 -3.5617 -3.2016 -3.2002 -0.5053 -0.5047 0.0450 0.0460 0.5479 0.5484 1.2749 1.2793 1.4724 1.4768 2.1708 2.1713 2.5565 2.5569 2.9223 2.9227 12.1518 12.1524 12.9033 12.9041 13.3381 13.3385 13.8356 13.8365 k = 0.0000 0.5016 0.3687 ( 2294 PWs) bands (ev): -17.6877 -17.6877 -15.9381 -15.9381 -14.9771 -14.9771 -14.8676 -14.8676 -6.7389 -6.7389 -4.2366 -4.2366 -3.5611 -3.5611 -3.2023 -3.2023 -0.5042 -0.5042 0.0455 0.0455 0.5472 0.5472 1.2849 1.2849 1.4673 1.4673 2.1716 2.1716 2.5564 2.5564 2.9237 2.9237 12.1523 12.1523 12.9043 12.9043 13.3377 13.3377 13.8359 13.8359 k = 0.0000 0.5016 0.3687 ( 2294 PWs) bands (ev): -17.6877 -17.6877 -15.9381 -15.9381 -14.9771 -14.9771 -14.8676 -14.8676 -6.7389 -6.7389 -4.2366 -4.2366 -3.5611 -3.5611 -3.2023 -3.2023 -0.5042 -0.5042 0.0455 0.0455 0.5472 0.5472 1.2849 1.2849 1.4673 1.4673 2.1716 2.1716 2.5564 2.5564 2.9237 2.9237 12.1523 12.1523 12.9043 12.9043 13.3377 13.3377 13.8359 13.8359 k = 0.0068 0.4943 0.3787 ( 2294 PWs) bands (ev): -17.6872 -17.6872 -15.9387 -15.9384 -14.9775 -14.9771 -14.8678 -14.8677 -6.7380 -6.7378 -4.2395 -4.2385 -3.5602 -3.5590 -3.2020 -3.2017 -0.5050 -0.5047 0.0446 0.0452 0.5469 0.5476 1.2860 1.2867 1.4675 1.4678 2.1711 2.1718 2.5561 2.5571 2.9232 2.9234 12.1532 12.1533 12.9040 12.9046 13.3355 13.3367 13.8356 13.8373 k = 0.0135 0.4870 0.3887 ( 2298 PWs) bands (ev): -17.6857 -17.6857 -15.9402 -15.9398 -14.9783 -14.9776 -14.8681 -14.8680 -6.7351 -6.7348 -4.2472 -4.2452 -3.5563 -3.5541 -3.2009 -3.2002 -0.5072 -0.5065 0.0424 0.0435 0.5469 0.5483 1.2898 1.2914 1.4686 1.4690 2.1702 2.1715 2.5563 2.5583 2.9218 2.9222 12.1560 12.1561 12.9038 12.9051 13.3301 13.3325 13.8366 13.8399 k = 0.0203 0.4797 0.3986 ( 2298 PWs) bands (ev): -17.6832 -17.6832 -15.9428 -15.9421 -14.9794 -14.9784 -14.8686 -14.8685 -6.7304 -6.7298 -4.2595 -4.2565 -3.5497 -3.5465 -3.1988 -3.1979 -0.5106 -0.5096 0.0389 0.0406 0.5471 0.5492 1.2965 1.2987 1.4704 1.4710 2.1690 2.1710 2.5570 2.5600 2.9197 2.9202 12.1606 12.1607 12.9037 12.9056 13.3219 13.3254 13.8385 13.8434 k = 0.0270 0.4723 0.4086 ( 2298 PWs) bands (ev): -17.6798 -17.6798 -15.9463 -15.9454 -14.9810 -14.9797 -14.8693 -14.8692 -6.7237 -6.7230 -4.2759 -4.2722 -3.5407 -3.5365 -3.1960 -3.1947 -0.5151 -0.5138 0.0342 0.0365 0.5476 0.5503 1.3057 1.3086 1.4730 1.4738 2.1673 2.1699 2.5583 2.5622 2.9167 2.9174 12.1670 12.1672 12.9036 12.9061 13.3111 13.3155 13.8411 13.8475 k = 0.0338 0.4650 0.4186 ( 2290 PWs) bands (ev): -17.6754 -17.6753 -15.9508 -15.9497 -14.9829 -14.9812 -14.8702 -14.8701 -6.7151 -6.7142 -4.2962 -4.2917 -3.5295 -3.5245 -3.1923 -3.1908 -0.5207 -0.5190 0.0284 0.0312 0.5483 0.5517 1.3174 1.3208 1.4763 1.4773 2.1653 2.1685 2.5601 2.5650 2.9129 2.9139 12.1752 12.1754 12.9035 12.9067 13.2981 13.3034 13.8442 13.8519 k = 0.0405 0.4577 0.4285 ( 2288 PWs) bands (ev): -17.6700 -17.6700 -15.9563 -15.9549 -14.9851 -14.9832 -14.8713 -14.8711 -6.7046 -6.7035 -4.3199 -4.3148 -3.5166 -3.5109 -3.1879 -3.1860 -0.5271 -0.5251 0.0214 0.0247 0.5494 0.5534 1.3311 1.3350 1.4805 1.4817 2.1628 2.1665 2.5626 2.5683 2.9083 2.9095 12.1851 12.1854 12.9034 12.9072 13.2833 13.2893 13.8472 13.8561 k = 0.0473 0.4504 0.4385 ( 2286 PWs) bands (ev): -17.6637 -17.6637 -15.9628 -15.9612 -14.9876 -14.9853 -14.8726 -14.8724 -6.6922 -6.6910 -4.3466 -4.3410 -3.5025 -3.4962 -3.1827 -3.1806 -0.5342 -0.5319 0.0133 0.0172 0.5509 0.5553 1.3466 1.3507 1.4855 1.4870 2.1598 2.1640 2.5657 2.5722 2.9030 2.9044 12.1968 12.1970 12.9032 12.9077 13.2672 13.2737 13.8499 13.8598 k = 0.0541 0.4430 0.4485 ( 2286 PWs) bands (ev): -17.6565 -17.6564 -15.9702 -15.9684 -14.9903 -14.9878 -14.8741 -14.8739 -6.6780 -6.6767 -4.3760 -4.3700 -3.4873 -3.4805 -3.1769 -3.1745 -0.5418 -0.5392 0.0043 0.0087 0.5527 0.5576 1.3633 1.3675 1.4915 1.4933 2.1563 2.1610 2.5695 2.5768 2.8970 2.8986 12.2100 12.2103 12.9028 12.9080 13.2501 13.2571 13.8517 13.8626 k = 0.0608 0.4357 0.4584 ( 2288 PWs) bands (ev): -17.6484 -17.6483 -15.9786 -15.9766 -14.9932 -14.9904 -14.8758 -14.8755 -6.6621 -6.6605 -4.4078 -4.4014 -3.4715 -3.4643 -3.1705 -3.1678 -0.5497 -0.5468 -0.0055 -0.0007 0.5550 0.5602 1.3805 1.3846 1.4987 1.5011 2.1525 2.1575 2.5740 2.5819 2.8902 2.8920 12.2247 12.2251 12.9021 12.9080 13.2325 13.2399 13.8526 13.8642 k = 0.0676 0.4284 0.4684 ( 2292 PWs) bands (ev): -17.6394 -17.6393 -15.9880 -15.9858 -14.9962 -14.9931 -14.8777 -14.8774 -6.6444 -6.6427 -4.4416 -4.4350 -3.4553 -3.4477 -3.1636 -3.1605 -0.5576 -0.5545 -0.0162 -0.0110 0.5578 0.5633 1.3976 1.4011 1.5075 1.5106 2.1484 2.1537 2.5792 2.5877 2.8828 2.8849 12.2410 12.2414 12.9011 12.9078 13.2148 13.2225 13.8520 13.8643 k = 0.0743 0.4211 0.4784 ( 2296 PWs) bands (ev): -17.6296 -17.6295 -15.9983 -15.9960 -14.9993 -14.9959 -14.8798 -14.8794 -6.6250 -6.6231 -4.4773 -4.4704 -3.4390 -3.4311 -3.1562 -3.1529 -0.5655 -0.5621 -0.0276 -0.0219 0.5610 0.5668 1.4134 1.4161 1.5183 1.5225 2.1441 2.1497 2.5850 2.5940 2.8748 2.8771 12.2585 12.2591 12.8997 12.9071 13.1973 13.2052 13.8499 13.8628 k = 0.0811 0.4137 0.4883 ( 2298 PWs) bands (ev): -17.6190 -17.6188 -16.0096 -16.0071 -15.0024 -14.9987 -14.8820 -14.8816 -6.6039 -6.6019 -4.5145 -4.5074 -3.4227 -3.4145 -3.1485 -3.1448 -0.5730 -0.5694 -0.0396 -0.0335 0.5648 0.5708 1.4271 1.4287 1.5316 1.5371 2.1399 2.1456 2.5914 2.6007 2.8662 2.8688 12.2774 12.2780 12.8978 12.9059 13.1804 13.1884 13.8461 13.8594 k = 0.0878 0.4064 0.4983 ( 2296 PWs) bands (ev): -17.6076 -17.6074 -16.0217 -16.0191 -15.0054 -15.0015 -14.8845 -14.8840 -6.5812 -6.5791 -4.5531 -4.5458 -3.4066 -3.3982 -3.1405 -3.1365 -0.5801 -0.5762 -0.0520 -0.0457 0.5691 0.5753 1.4377 1.4383 1.5476 1.5545 2.1359 2.1419 2.5982 2.6079 2.8571 2.8600 12.2973 12.2980 12.8953 12.9042 13.1643 13.1724 13.8404 13.8542 k = 0.0946 0.3991 0.5083 ( 2292 PWs) bands (ev): -17.5954 -17.5953 -16.0348 -16.0320 -15.0083 -15.0043 -14.8871 -14.8865 -6.5570 -6.5547 -4.5929 -4.5855 -3.3908 -3.3823 -3.1322 -3.1280 -0.5864 -0.5823 -0.0650 -0.0583 0.5741 0.5804 1.4445 1.4452 1.5661 1.5742 2.1326 2.1387 2.6054 2.6153 2.8476 2.8508 12.3183 12.3191 12.8921 12.9017 13.1493 13.1575 13.8329 13.8470 k = 0.1014 0.3917 0.5182 ( 2294 PWs) bands (ev): -17.5826 -17.5825 -16.0487 -16.0458 -15.0111 -15.0069 -14.8899 -14.8893 -6.5313 -6.5289 -4.6337 -4.6263 -3.3754 -3.3668 -3.1239 -3.1194 -0.5919 -0.5876 -0.0783 -0.0712 0.5797 0.5861 1.4480 1.4492 1.5864 1.5954 2.1303 2.1365 2.6128 2.6228 2.8377 2.8412 12.3402 12.3410 12.8881 12.8985 13.1356 13.1439 13.8234 13.8378 k = 0.1081 0.3844 0.5282 ( 2294 PWs) bands (ev): -17.5692 -17.5690 -16.0633 -16.0603 -15.0138 -15.0093 -14.8929 -14.8921 -6.5041 -6.5016 -4.6756 -4.6680 -3.3605 -3.3518 -3.1156 -3.1108 -0.5965 -0.5919 -0.0918 -0.0845 0.5861 0.5925 1.4485 1.4502 1.6078 1.6174 2.1293 2.1356 2.6202 2.6303 2.8275 2.8313 12.3627 12.3637 12.8835 12.8945 13.1234 13.1318 13.8122 13.8267 k = 0.1149 0.3771 0.5382 ( 2296 PWs) bands (ev): -17.5552 -17.5550 -16.0787 -16.0756 -15.0162 -15.0116 -14.8960 -14.8952 -6.4756 -6.4730 -4.7182 -4.7106 -3.3462 -3.3375 -3.1073 -3.1024 -0.5999 -0.5951 -0.1056 -0.0981 0.5931 0.5997 1.4463 1.4483 1.6295 1.6396 2.1300 2.1365 2.6274 2.6375 2.8171 2.8213 12.3858 12.3869 12.8782 12.8897 13.1128 13.1213 13.7991 13.8138 k = 0.1216 0.3698 0.5481 ( 2300 PWs) bands (ev): -17.5406 -17.5405 -16.0948 -16.0915 -15.0183 -15.0136 -14.8992 -14.8983 -6.4458 -6.4430 -4.7616 -4.7540 -3.3325 -3.3238 -3.0992 -3.0940 -0.6022 -0.5971 -0.1196 -0.1118 0.6010 0.6076 1.4413 1.4436 1.6510 1.6614 2.1327 2.1394 2.6344 2.6444 2.8066 2.8112 12.4092 12.4106 12.8722 12.8842 13.1038 13.1124 13.7845 13.7992 k = 0.1284 0.3624 0.5581 ( 2298 PWs) bands (ev): -17.5257 -17.5256 -16.1114 -16.1081 -15.0202 -15.0153 -14.9026 -14.9016 -6.4147 -6.4118 -4.8055 -4.7979 -3.3194 -3.3107 -3.0913 -3.0860 -0.6032 -0.5978 -0.1336 -0.1256 0.6097 0.6163 1.4336 1.4360 1.6718 1.6823 2.1377 2.1448 2.6408 2.6507 2.7961 2.8012 12.4328 12.4344 12.8659 12.8782 13.0965 13.1052 13.7683 13.7831 k = 0.1351 0.3551 0.5681 ( 2302 PWs) bands (ev): -17.5104 -17.5103 -16.1284 -16.1251 -15.0217 -15.0167 -14.9061 -14.9050 -6.3825 -6.3795 -4.8500 -4.8424 -3.3070 -3.2983 -3.0837 -3.0783 -0.6029 -0.5972 -0.1477 -0.1395 0.6193 0.6259 1.4231 1.4255 1.6916 1.7022 2.1452 2.1526 2.6466 2.6563 2.7857 2.7914 12.4564 12.4582 12.8592 12.8717 13.0908 13.0995 13.7508 13.7655 k = 0.1419 0.3478 0.5780 ( 2302 PWs) bands (ev): -17.4949 -17.4947 -16.1459 -16.1424 -15.0230 -15.0179 -14.9097 -14.9086 -6.3491 -6.3460 -4.8949 -4.8873 -3.2952 -3.2867 -3.0765 -3.0710 -0.6012 -0.5952 -0.1617 -0.1535 0.6299 0.6364 1.4098 1.4123 1.7103 1.7207 2.1552 2.1630 2.6515 2.6609 2.7757 2.7818 12.4797 12.4819 12.8524 12.8650 13.0865 13.0954 13.7322 13.7468 k = 0.1486 0.3405 0.5880 ( 2304 PWs) bands (ev): -17.4791 -17.4790 -16.1636 -16.1601 -15.0239 -15.0187 -14.9133 -14.9122 -6.3147 -6.3116 -4.9402 -4.9325 -3.2841 -3.2757 -3.0698 -3.0641 -0.5983 -0.5919 -0.1758 -0.1674 0.6414 0.6480 1.3938 1.3963 1.7277 1.7379 2.1675 2.1757 2.6555 2.6645 2.7661 2.7727 12.5027 12.5052 12.8456 12.8582 13.0838 13.0927 13.7126 13.7271 k = 0.1554 0.3331 0.5980 ( 2306 PWs) bands (ev): -17.4634 -17.4632 -16.1814 -16.1778 -15.0245 -15.0193 -14.9171 -14.9158 -6.2793 -6.2761 -4.9857 -4.9781 -3.2737 -3.2654 -3.0635 -3.0577 -0.5940 -0.5873 -0.1898 -0.1813 0.6541 0.6605 1.3751 1.3777 1.7439 1.7538 2.1821 2.1906 2.6582 2.6667 2.7571 2.7643 12.5250 12.5278 12.8390 12.8514 13.0824 13.0915 13.6923 13.7066 k = 0.1622 0.3258 0.6079 ( 2304 PWs) bands (ev): -17.4476 -17.4475 -16.1992 -16.1956 -15.0248 -15.0195 -14.9208 -14.9196 -6.2431 -6.2399 -5.0314 -5.0237 -3.2639 -3.2558 -3.0577 -3.0519 -0.5885 -0.5814 -0.2037 -0.1951 0.6678 0.6742 1.3540 1.3566 1.7589 1.7684 2.1984 2.2073 2.6598 2.6676 2.7489 2.7564 12.5464 12.5498 12.8326 12.8447 13.0824 13.0917 13.6714 13.6854 k = 0.1689 0.3185 0.6179 ( 2308 PWs) bands (ev): -17.4321 -17.4320 -16.2167 -16.2131 -15.0248 -15.0194 -14.9246 -14.9233 -6.2061 -6.2028 -5.0772 -5.0695 -3.2549 -3.2469 -3.0524 -3.0466 -0.5819 -0.5743 -0.2176 -0.2089 0.6826 0.6890 1.3307 1.3333 1.7727 1.7818 2.2161 2.2253 2.6601 2.6672 2.7414 2.7493 12.5669 12.5708 12.8265 12.8382 13.0838 13.0931 13.6502 13.6639 k = 0.1757 0.3112 0.6279 ( 2310 PWs) bands (ev): -17.4169 -17.4168 -16.2340 -16.2303 -15.0245 -15.0191 -14.9284 -14.9271 -6.1684 -6.1651 -5.1229 -5.1152 -3.2465 -3.2387 -3.0477 -3.0419 -0.5742 -0.5661 -0.2313 -0.2225 0.6986 0.7051 1.3054 1.3081 1.7855 1.7941 2.2348 2.2441 2.6593 2.6655 2.7348 2.7429 12.5863 12.5907 12.8206 12.8318 13.0864 13.0960 13.6289 13.6421 k = 0.1824 0.3038 0.6378 ( 2312 PWs) bands (ev): -17.4022 -17.4021 -16.2507 -16.2470 -15.0239 -15.0184 -14.9322 -14.9308 -6.1302 -6.1269 -5.1685 -5.1607 -3.2388 -3.2313 -3.0435 -3.0378 -0.5656 -0.5570 -0.2449 -0.2360 0.7158 0.7223 1.2784 1.2811 1.7973 1.8054 2.2539 2.2634 2.6577 2.6630 2.7288 2.7369 12.6044 12.6095 12.8149 12.8255 13.0904 13.1002 13.6077 13.6204 k = 0.1892 0.2965 0.6478 ( 2314 PWs) bands (ev): -17.3881 -17.3881 -16.2666 -16.2630 -15.0231 -15.0176 -14.9358 -14.9345 -6.0916 -6.0883 -5.2137 -5.2059 -3.2317 -3.2245 -3.0398 -3.0341 -0.5562 -0.5471 -0.2582 -0.2494 0.7343 0.7408 1.2500 1.2526 1.8081 1.8157 2.2730 2.2825 2.6556 2.6598 2.7233 2.7312 12.6213 12.6271 12.8093 12.8192 13.0956 13.1056 13.5868 13.5990 k = 0.1959 0.2892 0.6578 ( 2310 PWs) bands (ev): -17.3749 -17.3748 -16.2817 -16.2780 -15.0221 -15.0166 -14.9394 -14.9380 -6.0527 -6.0495 -5.2585 -5.2506 -3.2254 -3.2184 -3.0366 -3.0310 -0.5462 -0.5365 -0.2713 -0.2624 0.7539 0.7606 1.2205 1.2231 1.8179 1.8250 2.2916 2.3011 2.6534 2.6566 2.7179 2.7256 12.6369 12.6436 12.8037 12.8128 13.1020 13.1121 13.5665 13.5780 k = 0.2027 0.2819 0.6677 ( 2308 PWs) bands (ev): -17.3626 -17.3626 -16.2956 -16.2919 -15.0210 -15.0154 -14.9428 -14.9415 -6.0139 -6.0107 -5.3025 -5.2945 -3.2198 -3.2130 -3.0339 -3.0284 -0.5359 -0.5256 -0.2842 -0.2751 0.7748 0.7816 1.1902 1.1928 1.8268 1.8334 2.3093 2.3186 2.6514 2.6536 2.7125 2.7199 12.6513 12.6590 12.7980 12.8062 13.1092 13.1196 13.5472 13.5579 k = 0.2095 0.2745 0.6777 ( 2310 PWs) bands (ev): -17.3515 -17.3515 -16.3082 -16.3044 -15.0197 -15.0141 -14.9459 -14.9447 -5.9755 -5.9724 -5.3454 -5.3373 -3.2148 -3.2083 -3.0316 -3.0263 -0.5255 -0.5144 -0.2965 -0.2873 0.7968 0.8038 1.1594 1.1619 1.8346 1.8407 2.3256 2.3346 2.6500 2.6513 2.7069 2.7139 12.6645 12.6733 12.7921 12.7992 13.1172 13.1277 13.5291 13.5388 k = 0.2162 0.2672 0.6876 ( 2306 PWs) bands (ev): -17.3418 -17.3417 -16.3192 -16.3155 -15.0185 -15.0128 -14.9488 -14.9477 -5.9381 -5.9352 -5.3867 -5.3784 -3.2106 -3.2043 -3.0298 -3.0246 -0.5154 -0.5034 -0.3083 -0.2988 0.8197 0.8271 1.1285 1.1310 1.8414 1.8471 2.3402 2.3487 2.6493 2.6502 2.7012 2.7078 12.6766 12.6867 12.7860 12.7919 13.1253 13.1359 13.5127 13.5213 k = 0.2230 0.2599 0.6976 ( 2312 PWs) bands (ev): -17.3335 -17.3335 -16.3286 -16.3248 -15.0173 -15.0116 -14.9513 -14.9503 -5.9024 -5.8997 -5.4256 -5.4170 -3.2071 -3.2011 -3.0283 -3.0232 -0.5059 -0.4929 -0.3191 -0.3093 0.8435 0.8514 1.0978 1.1003 1.8470 1.8523 2.3527 2.3606 2.6490 2.6507 2.6951 2.7016 12.6875 12.6992 12.7798 12.7841 13.1333 13.1439 13.4983 13.5056 k = 0.2297 0.2526 0.7076 ( 2310 PWs) bands (ev): -17.3269 -17.3269 -16.3360 -16.3323 -15.0162 -15.0105 -14.9533 -14.9525 -5.8698 -5.8674 -5.4606 -5.4517 -3.2044 -3.1985 -3.0272 -3.0222 -0.4974 -0.4835 -0.3287 -0.3184 0.8674 0.8763 1.0677 1.0707 1.8514 1.8565 2.3628 2.3700 2.6495 2.6526 2.6891 2.6957 12.6972 12.7109 12.7736 12.7761 13.1404 13.1510 13.4866 13.4924 k = 0.2365 0.2452 0.7175 ( 2306 PWs) bands (ev): -17.3221 -17.3221 -16.3415 -16.3377 -15.0153 -15.0096 -14.9548 -14.9542 -5.8424 -5.8405 -5.4896 -5.4803 -3.2024 -3.1967 -3.0265 -3.0215 -0.4907 -0.4759 -0.3363 -0.3256 0.8905 0.9010 1.0393 1.0435 1.8547 1.8594 2.3702 2.3768 2.6505 2.6554 2.6832 2.6905 12.7052 12.7217 12.7673 12.7685 13.1461 13.1567 13.4781 13.4821 k = 0.2432 0.2379 0.7275 ( 2306 PWs) bands (ev): -17.3192 -17.3191 -16.3448 -16.3410 -15.0148 -15.0090 -14.9556 -14.9553 -5.8236 -5.8220 -5.5095 -5.4998 -3.2012 -3.1956 -3.0260 -3.0211 -0.4864 -0.4708 -0.3414 -0.3302 0.9098 0.9230 1.0151 1.0216 1.8566 1.8613 2.3748 2.3809 2.6517 2.6586 2.6782 2.6869 12.7108 12.7308 12.7599 12.7641 13.1498 13.1603 13.4731 13.4753 k = 0.2500 0.2306 0.7375 ( 2304 PWs) bands (ev): -17.3182 -17.3182 -16.3459 -16.3421 -15.0146 -15.0088 -14.9559 -14.9558 -5.8167 -5.8153 -5.5167 -5.5069 -3.2008 -3.1952 -3.0259 -3.0210 -0.4848 -0.4690 -0.3432 -0.3318 0.9183 0.9336 1.0037 1.0123 1.8573 1.8619 2.3764 2.3823 2.6522 2.6602 2.6760 2.6855 12.7129 12.7353 12.7560 12.7625 13.1511 13.1616 13.4717 13.4727 k = 0.2500 0.2306 0.7375 ( 2304 PWs) bands (ev): -17.3182 -17.3182 -16.3459 -16.3421 -15.0146 -15.0088 -14.9559 -14.9558 -5.8167 -5.8153 -5.5167 -5.5069 -3.2008 -3.1952 -3.0259 -3.0210 -0.4848 -0.4690 -0.3432 -0.3318 0.9183 0.9336 1.0037 1.0123 1.8573 1.8619 2.3764 2.3823 2.6522 2.6602 2.6760 2.6855 12.7129 12.7353 12.7560 12.7625 13.1511 13.1616 13.4717 13.4727 k = 0.2576 0.2376 0.7280 ( 2308 PWs) bands (ev): -17.3186 -17.3186 -16.3454 -16.3416 -15.0147 -15.0089 -14.9558 -14.9556 -5.8199 -5.8185 -5.5137 -5.5039 -3.2005 -3.1949 -3.0256 -3.0207 -0.4856 -0.4699 -0.3424 -0.3311 0.9133 0.9274 1.0086 1.0161 1.8575 1.8620 2.3758 2.3818 2.6521 2.6594 2.6776 2.6866 12.7123 12.7334 12.7580 12.7632 13.1505 13.1610 13.4730 13.4746 k = 0.2652 0.2446 0.7185 ( 2306 PWs) bands (ev): -17.3198 -17.3198 -16.3441 -16.3403 -15.0149 -15.0092 -14.9554 -14.9550 -5.8288 -5.8272 -5.5052 -5.4956 -3.1995 -3.1939 -3.0246 -3.0198 -0.4882 -0.4730 -0.3396 -0.3287 0.8996 0.9114 1.0206 1.0260 1.8581 1.8627 2.3742 2.3804 2.6513 2.6570 2.6824 2.6902 12.7107 12.7291 12.7629 12.7654 13.1489 13.1594 13.4771 13.4798 k = 0.2727 0.2515 0.7090 ( 2308 PWs) bands (ev): -17.3217 -17.3216 -16.3421 -16.3383 -15.0153 -15.0096 -14.9547 -14.9543 -5.8419 -5.8400 -5.4926 -5.4833 -3.1979 -3.1922 -3.0232 -3.0183 -0.4929 -0.4786 -0.3345 -0.3242 0.8799 0.8898 1.0352 1.0390 1.8592 1.8639 2.3719 2.3782 2.6495 2.6535 2.6895 2.6963 12.7080 12.7237 12.7688 12.7698 13.1466 13.1571 13.4839 13.4875 k = 0.2803 0.2585 0.6995 ( 2309 PWs) bands (ev): -17.3240 -17.3239 -16.3395 -16.3358 -15.0158 -15.0101 -14.9538 -14.9533 -5.8575 -5.8554 -5.4773 -5.4684 -3.1955 -3.1898 -3.0213 -3.0164 -0.4998 -0.4865 -0.3269 -0.3174 0.8562 0.8649 1.0499 1.0530 1.8608 1.8656 2.3692 2.3756 2.6467 2.6495 2.6982 2.7045 12.7045 12.7176 12.7743 12.7774 13.1438 13.1543 13.4929 13.4973 k = 0.2879 0.2655 0.6900 ( 2306 PWs) bands (ev): -17.3267 -17.3266 -16.3365 -16.3328 -15.0164 -15.0108 -14.9527 -14.9522 -5.8746 -5.8723 -5.4605 -5.4519 -3.1923 -3.1866 -3.0189 -3.0141 -0.5086 -0.4965 -0.3172 -0.3084 0.8299 0.8377 1.0636 1.0665 1.8631 1.8679 2.3663 2.3728 2.6432 2.6451 2.7080 2.7142 12.7000 12.7113 12.7811 12.7863 13.1408 13.1513 13.5037 13.5088 k = 0.2955 0.2725 0.6804 ( 2306 PWs) bands (ev): -17.3296 -17.3296 -16.3333 -16.3296 -15.0171 -15.0116 -14.9516 -14.9510 -5.8920 -5.8896 -5.4430 -5.4346 -3.1886 -3.1828 -3.0162 -3.0114 -0.5191 -0.5081 -0.3056 -0.2977 0.8016 0.8087 1.0757 1.0786 1.8660 1.8708 2.3634 2.3700 2.6392 2.6407 2.7185 2.7247 12.6949 12.7046 12.7894 12.7962 13.1379 13.1484 13.5158 13.5214 k = 0.3030 0.2795 0.6709 ( 2303 PWs) bands (ev): -17.3327 -17.3326 -16.3299 -16.3263 -15.0178 -15.0124 -14.9503 -14.9498 -5.9091 -5.9066 -5.4253 -5.4172 -3.1841 -3.1783 -3.0131 -3.0085 -0.5308 -0.5207 -0.2928 -0.2855 0.7719 0.7786 1.0857 1.0888 1.8696 1.8743 2.3609 2.3675 2.6348 2.6363 2.7292 2.7355 12.6892 12.6977 12.7990 12.8071 13.1352 13.1457 13.5289 13.5350 k = 0.3106 0.2865 0.6614 ( 2305 PWs) bands (ev): -17.3357 -17.3357 -16.3264 -16.3229 -15.0186 -15.0133 -14.9491 -14.9487 -5.9252 -5.9227 -5.4081 -5.4002 -3.1791 -3.1732 -3.0099 -3.0053 -0.5432 -0.5339 -0.2790 -0.2722 0.7412 0.7475 1.0934 1.0968 1.8737 1.8784 2.3587 2.3653 2.6302 2.6318 2.7400 2.7463 12.6831 12.6906 12.8097 12.8188 13.1327 13.1433 13.5427 13.5491 k = 0.3182 0.2935 0.6519 ( 2305 PWs) bands (ev): -17.3387 -17.3387 -16.3231 -16.3196 -15.0195 -15.0142 -14.9480 -14.9477 -5.9400 -5.9375 -5.3914 -5.3837 -3.1736 -3.1676 -3.0065 -3.0019 -0.5559 -0.5475 -0.2647 -0.2584 0.7101 0.7160 1.0986 1.1022 1.8784 1.8830 2.3572 2.3636 2.6254 2.6274 2.7504 2.7569 12.6766 12.6835 12.8213 12.8313 13.1306 13.1412 13.5570 13.5637 k = 0.3258 0.3005 0.6424 ( 2304 PWs) bands (ev): -17.3416 -17.3415 -16.3199 -16.3165 -15.0203 -15.0152 -14.9470 -14.9468 -5.9531 -5.9506 -5.3757 -5.3682 -3.1677 -3.1616 -3.0029 -2.9985 -0.5687 -0.5609 -0.2501 -0.2444 0.6788 0.6845 1.1011 1.1049 1.8837 1.8882 2.3562 2.3626 2.6207 2.6231 2.7603 2.7668 12.6700 12.6763 12.8337 12.8444 13.1286 13.1394 13.5716 13.5786 k = 0.3333 0.3074 0.6329 ( 2307 PWs) bands (ev): -17.3442 -17.3442 -16.3169 -16.3136 -15.0211 -15.0161 -14.9462 -14.9461 -5.9642 -5.9617 -5.3611 -5.3538 -3.1613 -3.1552 -2.9994 -2.9950 -0.5813 -0.5740 -0.2358 -0.2305 0.6480 0.6532 1.1008 1.1050 1.8894 1.8937 2.3558 2.3621 2.6160 2.6189 2.7693 2.7760 12.6633 12.6691 12.8466 12.8577 13.1268 13.1377 13.5865 13.5936 k = 0.3409 0.3144 0.6234 ( 2305 PWs) bands (ev): -17.3465 -17.3465 -16.3143 -16.3110 -15.0219 -15.0169 -14.9458 -14.9455 -5.9731 -5.9706 -5.3476 -5.3405 -3.1547 -3.1485 -2.9959 -2.9915 -0.5934 -0.5865 -0.2221 -0.2172 0.6179 0.6229 1.0978 1.1023 1.8954 1.8995 2.3561 2.3622 2.6114 2.6148 2.7775 2.7842 12.6567 12.6622 12.8598 12.8712 13.1250 13.1361 13.6015 13.6089 k = 0.3485 0.3214 0.6139 ( 2301 PWs) bands (ev): -17.3485 -17.3484 -16.3120 -16.3087 -15.0226 -15.0177 -14.9457 -14.9452 -5.9795 -5.9772 -5.3355 -5.3286 -3.1480 -3.1415 -2.9925 -2.9882 -0.6047 -0.5982 -0.2093 -0.2050 0.5891 0.5938 1.0922 1.0969 1.9017 1.9055 2.3570 2.3628 2.6070 2.6109 2.7845 2.7914 12.6502 12.6554 12.8730 12.8846 13.1232 13.1344 13.6168 13.6243 k = 0.3561 0.3284 0.6044 ( 2302 PWs) bands (ev): -17.3500 -17.3500 -16.3101 -16.3069 -15.0233 -15.0185 -14.9459 -14.9452 -5.9835 -5.9812 -5.3248 -5.3181 -3.1411 -3.1345 -2.9894 -2.9851 -0.6150 -0.6088 -0.1981 -0.1942 0.5621 0.5665 1.0840 1.0890 1.9080 1.9116 2.3583 2.3639 2.6029 2.6072 2.7904 2.7973 12.6438 12.6488 12.8859 12.8975 13.1210 13.1324 13.6323 13.6398 k = 0.3636 0.3354 0.5949 ( 2300 PWs) bands (ev): -17.3512 -17.3511 -16.3086 -16.3055 -15.0239 -15.0192 -14.9464 -14.9455 -5.9848 -5.9826 -5.3156 -5.3090 -3.1342 -3.1275 -2.9865 -2.9822 -0.6242 -0.6182 -0.1887 -0.1855 0.5376 0.5417 1.0734 1.0786 1.9142 1.9176 2.3600 2.3654 2.5990 2.6038 2.7949 2.8020 12.6377 12.6425 12.8982 12.9096 13.1186 13.1301 13.6480 13.6556 k = 0.3712 0.3424 0.5854 ( 2301 PWs) bands (ev): -17.3518 -17.3518 -16.3077 -16.3046 -15.0244 -15.0198 -14.9473 -14.9462 -5.9833 -5.9812 -5.3079 -5.3014 -3.1274 -3.1205 -2.9840 -2.9796 -0.6321 -0.6263 -0.1818 -0.1792 0.5159 0.5198 1.0606 1.0660 1.9202 1.9234 2.3618 2.3671 2.5954 2.6007 2.7982 2.8054 12.6318 12.6364 12.9096 12.9207 13.1159 13.1273 13.6639 13.6716 k = 0.3788 0.3494 0.5759 ( 2301 PWs) bands (ev): -17.3521 -17.3520 -16.3072 -16.3041 -15.0249 -15.0204 -14.9485 -14.9472 -5.9791 -5.9770 -5.3017 -5.2954 -3.1208 -3.1137 -2.9819 -2.9774 -0.6385 -0.6329 -0.1778 -0.1757 0.4978 0.5014 1.0457 1.0513 1.9258 1.9289 2.3637 2.3688 2.5921 2.5979 2.8001 2.8075 12.6261 12.6307 12.9196 12.9301 13.1131 13.1243 13.6800 13.6878 k = 0.3864 0.3564 0.5664 ( 2299 PWs) bands (ev): -17.3518 -17.3518 -16.3071 -16.3041 -15.0252 -15.0209 -14.9502 -14.9485 -5.9719 -5.9699 -5.2971 -5.2909 -3.1144 -3.1071 -2.9802 -2.9756 -0.6434 -0.6378 -0.1771 -0.1755 0.4835 0.4872 1.0290 1.0348 1.9309 1.9339 2.3654 2.3704 2.5892 2.5956 2.8007 2.8083 12.6206 12.6251 12.9279 12.9375 13.1106 13.1213 13.6963 13.7040 k = 0.3939 0.3633 0.5569 ( 2298 PWs) bands (ev): -17.3511 -17.3511 -16.3076 -16.3045 -15.0255 -15.0213 -14.9521 -14.9502 -5.9620 -5.9600 -5.2941 -5.2879 -3.1084 -3.1008 -2.9791 -2.9744 -0.6466 -0.6411 -0.1801 -0.1785 0.4734 0.4773 1.0106 1.0166 1.9353 1.9383 2.3665 2.3716 2.5868 2.5936 2.8002 2.8080 12.6153 12.6198 12.9338 12.9421 13.1089 13.1188 13.7124 13.7201 k = 0.4015 0.3703 0.5474 ( 2300 PWs) bands (ev): -17.3500 -17.3500 -16.3085 -16.3055 -15.0258 -15.0216 -14.9544 -14.9522 -5.9492 -5.9472 -5.2926 -5.2866 -3.1028 -3.0950 -2.9786 -2.9736 -0.6481 -0.6425 -0.1870 -0.1850 0.4678 0.4719 0.9908 0.9969 1.9389 1.9420 2.3669 2.3722 2.5849 2.5922 2.7985 2.8065 12.6102 12.6147 12.9365 12.9435 13.1086 13.1176 13.7282 13.7359 k = 0.4091 0.3773 0.5379 ( 2304 PWs) bands (ev): -17.3485 -17.3484 -16.3099 -16.3068 -15.0259 -15.0218 -14.9570 -14.9546 -5.9337 -5.9317 -5.2928 -5.2867 -3.0977 -3.0896 -2.9787 -2.9735 -0.6479 -0.6421 -0.1975 -0.1948 0.4666 0.4710 0.9697 0.9760 1.9417 1.9450 2.3662 2.3717 2.5836 2.5914 2.7960 2.8042 12.6051 12.6097 12.9356 12.9413 13.1103 13.1182 13.7434 13.7510 k = 0.4167 0.3843 0.5284 ( 2308 PWs) bands (ev): -17.3466 -17.3465 -16.3116 -16.3085 -15.0260 -15.0220 -14.9599 -14.9572 -5.9154 -5.9134 -5.2944 -5.2884 -3.0931 -3.0848 -2.9794 -2.9739 -0.6458 -0.6399 -0.2112 -0.2077 0.4696 0.4744 0.9476 0.9540 1.9435 1.9470 2.3640 2.3699 2.5831 2.5913 2.7927 2.8011 12.6000 12.6048 12.9305 12.9356 13.1142 13.1214 13.7577 13.7652 k = 0.4242 0.3913 0.5188 ( 2300 PWs) bands (ev): -17.3443 -17.3443 -16.3137 -16.3106 -15.0259 -15.0222 -14.9630 -14.9600 -5.8945 -5.8925 -5.2975 -5.2915 -3.0892 -3.0806 -2.9807 -2.9750 -0.6419 -0.6358 -0.2275 -0.2233 0.4764 0.4817 0.9246 0.9310 1.9445 1.9481 2.3599 2.3662 2.5834 2.5920 2.7889 2.7976 12.5950 12.5998 12.9214 12.9267 13.1203 13.1271 13.7706 13.7781 k = 0.4318 0.3983 0.5093 ( 2300 PWs) bands (ev): -17.3418 -17.3418 -16.3161 -16.3129 -15.0259 -15.0222 -14.9663 -14.9631 -5.8711 -5.8692 -5.3020 -5.2960 -3.0860 -3.0771 -2.9827 -2.9767 -0.6364 -0.6299 -0.2459 -0.2409 0.4867 0.4924 0.9008 0.9073 1.9444 1.9483 2.3536 2.3603 2.5846 2.5936 2.7847 2.7937 12.5898 12.5947 12.9091 12.9151 13.1283 13.1351 13.7819 13.7894 k = 0.4394 0.4053 0.4998 ( 2300 PWs) bands (ev): -17.3392 -17.3391 -16.3186 -16.3155 -15.0257 -15.0223 -14.9698 -14.9662 -5.8456 -5.8436 -5.3078 -5.3017 -3.0835 -3.0744 -2.9854 -2.9790 -0.6292 -0.6223 -0.2657 -0.2599 0.5000 0.5059 0.8765 0.8831 1.9433 1.9473 2.3447 2.3518 2.5870 2.5962 2.7806 2.7898 12.5844 12.5895 12.8944 12.9013 13.1379 13.1448 13.7912 13.7987 k = 0.4470 0.4123 0.4903 ( 2300 PWs) bands (ev): -17.3364 -17.3364 -16.3213 -16.3181 -15.0255 -15.0223 -14.9733 -14.9695 -5.8180 -5.8160 -5.3147 -5.3084 -3.0819 -3.0724 -2.9886 -2.9819 -0.6206 -0.6132 -0.2862 -0.2796 0.5156 0.5219 0.8518 0.8584 1.9411 1.9453 2.3331 2.3405 2.5904 2.5998 2.7765 2.7860 12.5789 12.5841 12.8782 12.8858 13.1488 13.1559 13.7983 13.8057 k = 0.4545 0.4192 0.4808 ( 2298 PWs) bands (ev): -17.3337 -17.3336 -16.3241 -16.3208 -15.0253 -15.0223 -14.9768 -14.9729 -5.7888 -5.7869 -5.3223 -5.3159 -3.0810 -3.0713 -2.9925 -2.9855 -0.6108 -0.6027 -0.3067 -0.2993 0.5333 0.5398 0.8269 0.8334 1.9379 1.9422 2.3185 2.3262 2.5948 2.6044 2.7729 2.7825 12.5731 12.5784 12.8612 12.8694 13.1607 13.1680 13.8030 13.8103 k = 0.4621 0.4262 0.4713 ( 2298 PWs) bands (ev): -17.3310 -17.3309 -16.3267 -16.3234 -15.0251 -15.0224 -14.9803 -14.9761 -5.7586 -5.7566 -5.3304 -5.3238 -3.0810 -3.0710 -2.9970 -2.9897 -0.6002 -0.5913 -0.3264 -0.3180 0.5525 0.5593 0.8018 0.8083 1.9334 1.9379 2.3011 2.3088 2.6004 2.6100 2.7697 2.7795 12.5671 12.5724 12.8439 12.8526 13.1732 13.1806 13.8050 13.8124 k = 0.4697 0.4332 0.4618 ( 2294 PWs) bands (ev): -17.3286 -17.3285 -16.3291 -16.3257 -15.0249 -15.0225 -14.9836 -14.9793 -5.7280 -5.7261 -5.3383 -5.3314 -3.0820 -3.0717 -3.0020 -2.9944 -0.5894 -0.5795 -0.3445 -0.3351 0.5728 0.5798 0.7769 0.7833 1.9277 1.9322 2.2808 2.2886 2.6068 2.6164 2.7671 2.7771 12.5608 12.5662 12.8268 12.8358 13.1861 13.1935 13.8044 13.8118 k = 0.4773 0.4402 0.4523 ( 2297 PWs) bands (ev): -17.3265 -17.3264 -16.3311 -16.3276 -15.0247 -15.0228 -14.9867 -14.9823 -5.6981 -5.6963 -5.3450 -5.3378 -3.0838 -3.0733 -3.0075 -2.9997 -0.5791 -0.5680 -0.3599 -0.3493 0.5936 0.6009 0.7525 0.7587 1.9206 1.9252 2.2580 2.2657 2.6140 2.6236 2.7651 2.7753 12.5542 12.5597 12.8103 12.8195 13.1990 13.2065 13.8011 13.8085 k = 0.4848 0.4472 0.4428 ( 2296 PWs) bands (ev): -17.3250 -17.3249 -16.3325 -16.3291 -15.0246 -15.0232 -14.9895 -14.9850 -5.6705 -5.6689 -5.3491 -5.3416 -3.0865 -3.0759 -3.0135 -3.0055 -0.5702 -0.5579 -0.3712 -0.3594 0.6141 0.6218 0.7290 0.7351 1.9120 1.9166 2.2330 2.2405 2.6219 2.6314 2.7638 2.7741 12.5475 12.5530 12.7946 12.8040 13.2119 13.2193 13.7952 13.8026 k = 0.4924 0.4542 0.4333 ( 2292 PWs) bands (ev): -17.3241 -17.3240 -16.3333 -16.3298 -15.0247 -15.0238 -14.9919 -14.9874 -5.6473 -5.6458 -5.3486 -5.3409 -3.0902 -3.0794 -3.0200 -3.0119 -0.5637 -0.5506 -0.3770 -0.3643 0.6322 0.6407 0.7085 0.7145 1.9015 1.9062 2.2062 2.2136 2.6303 2.6396 2.7632 2.7735 12.5407 12.5462 12.7799 12.7894 13.2244 13.2317 13.7867 13.7942 k = 0.5000 0.4612 0.4238 ( 2290 PWs) bands (ev): -17.3240 -17.3239 -16.3332 -16.3297 -15.0251 -15.0245 -14.9939 -14.9893 -5.6310 -5.6294 -5.3414 -5.3334 -3.0948 -3.0839 -3.0270 -3.0188 -0.5604 -0.5469 -0.3761 -0.3631 0.6412 0.6506 0.6975 0.7036 1.8890 1.8937 2.1783 2.1855 2.6391 2.6483 2.7632 2.7736 12.5340 12.5394 12.7663 12.7759 13.2363 13.2435 13.7759 13.7834 k = 0.5000 0.4612 0.4238 ( 2290 PWs) bands (ev): -17.3240 -17.3239 -16.3332 -16.3297 -15.0251 -15.0245 -14.9939 -14.9893 -5.6310 -5.6294 -5.3414 -5.3334 -3.0948 -3.0839 -3.0270 -3.0188 -0.5604 -0.5469 -0.3761 -0.3631 0.6412 0.6506 0.6975 0.7036 1.8890 1.8937 2.1783 2.1855 2.6391 2.6483 2.7632 2.7736 12.5340 12.5394 12.7663 12.7759 13.2363 13.2435 13.7759 13.7834 k = 0.5000 0.4612 0.4097 ( 2290 PWs) bands (ev): -17.3245 -17.3244 -16.3324 -16.3287 -15.0260 -15.0253 -14.9965 -14.9918 -5.6129 -5.6113 -5.3245 -5.3163 -3.1022 -3.0912 -3.0375 -3.0293 -0.5573 -0.5438 -0.3690 -0.3560 0.6417 0.6512 0.6950 0.7010 1.8673 1.8722 2.1354 2.1424 2.6525 2.6615 2.7641 2.7745 12.5246 12.5299 12.7473 12.7569 13.2531 13.2600 13.7575 13.7651 k = 0.5000 0.4612 0.3955 ( 2290 PWs) bands (ev): -17.3250 -17.3249 -16.3315 -16.3279 -15.0269 -15.0262 -14.9990 -14.9943 -5.5950 -5.5933 -5.3077 -5.2994 -3.1093 -3.0983 -3.0475 -3.0394 -0.5529 -0.5394 -0.3610 -0.3480 0.6421 0.6516 0.6923 0.6982 1.8433 1.8482 2.0911 2.0980 2.6663 2.6751 2.7661 2.7766 12.5162 12.5215 12.7291 12.7387 13.2690 13.2757 13.7379 13.7456 k = 0.5000 0.4612 0.3814 ( 2294 PWs) bands (ev): -17.3256 -17.3255 -16.3307 -16.3270 -15.0277 -15.0270 -15.0014 -14.9967 -5.5774 -5.5757 -5.2911 -5.2826 -3.1161 -3.1052 -3.0572 -3.0491 -0.5473 -0.5338 -0.3520 -0.3390 0.6422 0.6517 0.6895 0.6954 1.8168 1.8218 2.0455 2.0522 2.6802 2.6888 2.7692 2.7796 12.5089 12.5142 12.7118 12.7214 13.2839 13.2904 13.7172 13.7250 k = 0.5000 0.4612 0.3673 ( 2290 PWs) bands (ev): -17.3262 -17.3261 -16.3299 -16.3262 -15.0284 -15.0277 -15.0038 -14.9991 -5.5601 -5.5584 -5.2748 -5.2662 -3.1226 -3.1118 -3.0663 -3.0584 -0.5402 -0.5267 -0.3419 -0.3289 0.6420 0.6517 0.6866 0.6924 1.7879 1.7931 1.9988 2.0054 2.6944 2.7027 2.7733 2.7837 12.5028 12.5082 12.6956 12.7052 13.2975 13.3038 13.6954 13.7033 k = 0.5000 0.4612 0.3532 ( 2294 PWs) bands (ev): -17.3269 -17.3268 -16.3292 -16.3255 -15.0291 -15.0283 -15.0060 -15.0014 -5.5433 -5.5415 -5.2588 -5.2502 -3.1286 -3.1180 -3.0749 -3.0672 -0.5319 -0.5184 -0.3307 -0.3178 0.6416 0.6514 0.6837 0.6894 1.7568 1.7620 1.9509 1.9575 2.7085 2.7167 2.7784 2.7886 12.4980 12.5034 12.6805 12.6901 13.3097 13.3158 13.6728 13.6807 k = 0.5000 0.4612 0.3390 ( 2296 PWs) bands (ev): -17.3275 -17.3274 -16.3285 -16.3248 -15.0298 -15.0289 -15.0082 -15.0037 -5.5270 -5.5252 -5.2432 -5.2345 -3.1341 -3.1238 -3.0828 -3.0754 -0.5221 -0.5086 -0.3183 -0.3054 0.6409 0.6508 0.6808 0.6864 1.7235 1.7287 1.9022 1.9087 2.7227 2.7306 2.7844 2.7944 12.4945 12.4999 12.6666 12.6762 13.3204 13.3262 13.6493 13.6572 k = 0.5000 0.4612 0.3249 ( 2296 PWs) bands (ev): -17.3282 -17.3281 -16.3279 -16.3242 -15.0303 -15.0295 -15.0103 -15.0058 -5.5113 -5.5095 -5.2281 -5.2194 -3.1391 -3.1291 -3.0902 -3.0831 -0.5109 -0.4975 -0.3047 -0.2918 0.6399 0.6499 0.6779 0.6835 1.6880 1.6934 1.8528 1.8592 2.7367 2.7445 2.7911 2.8009 12.4923 12.4977 12.6541 12.6636 13.3294 13.3350 13.6250 13.6330 k = 0.5000 0.4612 0.3108 ( 2296 PWs) bands (ev): -17.3289 -17.3288 -16.3272 -16.3236 -15.0308 -15.0299 -15.0122 -15.0079 -5.4963 -5.4945 -5.2136 -5.2049 -3.1436 -3.1340 -3.0970 -3.0902 -0.4984 -0.4850 -0.2898 -0.2770 0.6386 0.6487 0.6751 0.6805 1.6506 1.6560 1.8028 1.8091 2.7507 2.7582 2.7984 2.8080 12.4915 12.4969 12.6430 12.6524 13.3365 13.3419 13.6001 13.6081 k = 0.5000 0.4612 0.2967 ( 2300 PWs) bands (ev): -17.3296 -17.3295 -16.3267 -16.3231 -15.0313 -15.0303 -15.0141 -15.0099 -5.4820 -5.4802 -5.1996 -5.1910 -3.1474 -3.1382 -3.1032 -3.0968 -0.4845 -0.4711 -0.2736 -0.2609 0.6370 0.6472 0.6723 0.6777 1.6113 1.6167 1.7523 1.7586 2.7645 2.7717 2.8063 2.8156 12.4920 12.4975 12.6334 12.6427 13.3417 13.3469 13.5746 13.5826 k = 0.5000 0.4612 0.2825 ( 2290 PWs) bands (ev): -17.3303 -17.3302 -16.3261 -16.3226 -15.0317 -15.0306 -15.0158 -15.0117 -5.4684 -5.4666 -5.1862 -5.1777 -3.1507 -3.1419 -3.1087 -3.1027 -0.4692 -0.4559 -0.2561 -0.2434 0.6351 0.6455 0.6697 0.6750 1.5703 1.5757 1.7016 1.7078 2.7781 2.7851 2.8147 2.8236 12.4939 12.4995 12.6253 12.6344 13.3449 13.3499 13.5487 13.5567 k = 0.5000 0.4612 0.2684 ( 2290 PWs) bands (ev): -17.3311 -17.3310 -16.3256 -16.3222 -15.0320 -15.0309 -15.0174 -15.0135 -5.4557 -5.4539 -5.1735 -5.1652 -3.1533 -3.1450 -3.1136 -3.1081 -0.4526 -0.4393 -0.2372 -0.2246 0.6329 0.6434 0.6672 0.6724 1.5276 1.5330 1.6509 1.6570 2.7914 2.7981 2.8233 2.8319 12.4972 12.5028 12.6187 12.6276 13.3461 13.3509 13.5225 13.5304 k = 0.5000 0.4612 0.2543 ( 2290 PWs) bands (ev): -17.3318 -17.3317 -16.3252 -16.3219 -15.0323 -15.0311 -15.0189 -15.0152 -5.4437 -5.4420 -5.1615 -5.1533 -3.1553 -3.1475 -3.1180 -3.1128 -0.4348 -0.4216 -0.2170 -0.2044 0.6304 0.6410 0.6648 0.6699 1.4833 1.4888 1.6003 1.6063 2.8043 2.8107 2.8321 2.8404 12.5018 12.5075 12.6136 12.6223 13.3452 13.3499 13.4961 13.5039 k = 0.5000 0.4612 0.2401 ( 2300 PWs) bands (ev): -17.3325 -17.3324 -16.3248 -16.3216 -15.0325 -15.0313 -15.0202 -15.0168 -5.4326 -5.4309 -5.1503 -5.1423 -3.1567 -3.1495 -3.1218 -3.1171 -0.4158 -0.4026 -0.1953 -0.1828 0.6277 0.6383 0.6625 0.6675 1.4378 1.4432 1.5502 1.5560 2.8169 2.8230 2.8410 2.8489 12.5076 12.5134 12.6100 12.6185 13.3423 13.3470 13.4696 13.4773 k = 0.5000 0.4612 0.2260 ( 2292 PWs) bands (ev): -17.3332 -17.3332 -16.3244 -16.3213 -15.0327 -15.0314 -15.0214 -15.0182 -5.4224 -5.4207 -5.1397 -5.1319 -3.1576 -3.1509 -3.1250 -3.1207 -0.3956 -0.3826 -0.1723 -0.1599 0.6248 0.6355 0.6603 0.6652 1.3910 1.3963 1.5007 1.5062 2.8291 2.8349 2.8500 2.8574 12.5147 12.5206 12.6079 12.6161 13.3375 13.3421 13.4433 13.4507 k = 0.5000 0.4612 0.2119 ( 2288 PWs) bands (ev): -17.3340 -17.3339 -16.3241 -16.3211 -15.0329 -15.0315 -15.0225 -15.0196 -5.4129 -5.4113 -5.1298 -5.1224 -3.1579 -3.1518 -3.1277 -3.1239 -0.3745 -0.3616 -0.1478 -0.1355 0.6218 0.6325 0.6580 0.6630 1.3432 1.3484 1.4520 1.4572 2.8408 2.8462 2.8588 2.8658 12.5229 12.5289 12.6072 12.6152 13.3307 13.3354 13.4173 13.4243 k = 0.5000 0.4612 0.1978 ( 2292 PWs) bands (ev): -17.3346 -17.3346 -16.3238 -16.3210 -15.0330 -15.0315 -15.0235 -15.0208 -5.4043 -5.4028 -5.1207 -5.1136 -3.1577 -3.1522 -3.1299 -3.1266 -0.3525 -0.3398 -0.1220 -0.1098 0.6186 0.6293 0.6557 0.6608 1.2946 1.2996 1.4044 1.4091 2.8520 2.8571 2.8675 2.8740 12.5322 12.5382 12.6079 12.6156 13.3219 13.3270 13.3918 13.3984 k = 0.5000 0.4612 0.1836 ( 2292 PWs) bands (ev): -17.3353 -17.3352 -16.3235 -16.3208 -15.0331 -15.0315 -15.0243 -15.0220 -5.3966 -5.3951 -5.1123 -5.1056 -3.1572 -3.1522 -3.1317 -3.1288 -0.3298 -0.3174 -0.0949 -0.0828 0.6154 0.6262 0.6533 0.6585 1.2454 1.2503 1.3580 1.3622 2.8626 2.8674 2.8759 2.8820 12.5424 12.5485 12.6099 12.6172 13.3112 13.3167 13.3672 13.3731 k = 0.5000 0.4612 0.1695 ( 2288 PWs) bands (ev): -17.3360 -17.3359 -16.3233 -16.3208 -15.0332 -15.0316 -15.0250 -15.0230 -5.3895 -5.3881 -5.1047 -5.0983 -3.1563 -3.1519 -3.1331 -3.1307 -0.3066 -0.2944 -0.0665 -0.0546 0.6122 0.6229 0.6508 0.6562 1.1961 1.2007 1.3130 1.3168 2.8727 2.8770 2.8841 2.8896 12.5534 12.5596 12.6131 12.6200 13.2984 13.3047 13.3440 13.3489 k = 0.5000 0.4612 0.1554 ( 2290 PWs) bands (ev): -17.3366 -17.3365 -16.3231 -16.3207 -15.0333 -15.0316 -15.0256 -15.0239 -5.3833 -5.3820 -5.0977 -5.0917 -3.1552 -3.1513 -3.1341 -3.1321 -0.2830 -0.2712 -0.0370 -0.0252 0.6091 0.6197 0.6480 0.6537 1.1468 1.1512 1.2697 1.2730 2.8821 2.8860 2.8918 2.8968 12.5650 12.5713 12.6174 12.6238 13.2834 13.2907 13.3226 13.3264 k = 0.5000 0.4612 0.1413 ( 2290 PWs) bands (ev): -17.3371 -17.3371 -16.3229 -16.3207 -15.0333 -15.0316 -15.0261 -15.0247 -5.3777 -5.3765 -5.0914 -5.0859 -3.1539 -3.1505 -3.1347 -3.1331 -0.2594 -0.2480 -0.0064 0.0051 0.6059 0.6165 0.6449 0.6510 1.0980 1.1023 1.2282 1.2311 2.8908 2.8943 2.8992 2.9036 12.5771 12.5835 12.6226 12.6285 13.2662 13.2745 13.3036 13.3062 k = 0.5000 0.4612 0.1271 ( 2294 PWs) bands (ev): -17.3377 -17.3376 -16.3227 -16.3207 -15.0334 -15.0316 -15.0265 -15.0255 -5.3728 -5.3717 -5.0858 -5.0808 -3.1525 -3.1496 -3.1352 -3.1338 -0.2360 -0.2252 0.0250 0.0363 0.6029 0.6133 0.6413 0.6480 1.0503 1.0544 1.1889 1.1914 2.8988 2.9019 2.9060 2.9099 12.5894 12.5959 12.6286 12.6339 13.2475 13.2562 13.2866 13.2886 k = 0.5000 0.4612 0.1130 ( 2294 PWs) bands (ev): -17.3382 -17.3381 -16.3225 -16.3208 -15.0334 -15.0317 -15.0268 -15.0260 -5.3686 -5.3676 -5.0808 -5.0763 -3.1511 -3.1486 -3.1354 -3.1341 -0.2132 -0.2030 0.0571 0.0681 0.6000 0.6101 0.6372 0.6445 1.0041 1.0081 1.1521 1.1543 2.9060 2.9088 2.9123 2.9157 12.6018 12.6082 12.6352 12.6398 13.2284 13.2370 13.2714 13.2730 k = 0.5000 0.4612 0.0989 ( 2298 PWs) bands (ev): -17.3386 -17.3386 -16.3224 -16.3208 -15.0335 -15.0318 -15.0271 -15.0265 -5.3649 -5.3641 -5.0765 -5.0724 -3.1498 -3.1476 -3.1355 -3.1342 -0.1913 -0.1819 0.0895 0.1001 0.5974 0.6069 0.6324 0.6402 0.9601 0.9640 1.1182 1.1202 2.9125 2.9148 2.9180 2.9208 12.6137 12.6202 12.6422 12.6460 13.2098 13.2178 13.2575 13.2588 k = 0.5000 0.4612 0.0848 ( 2302 PWs) bands (ev): -17.3390 -17.3390 -16.3222 -16.3209 -15.0335 -15.0319 -15.0273 -15.0269 -5.3619 -5.3611 -5.0727 -5.0692 -3.1487 -3.1467 -3.1354 -3.1340 -0.1708 -0.1623 0.1216 0.1318 0.5949 0.6039 0.6266 0.6350 0.9192 0.9231 1.0875 1.0893 2.9181 2.9201 2.9231 2.9254 12.6251 12.6314 12.6493 12.6524 13.1923 13.1996 13.2449 13.2459 k = 0.5000 0.4612 0.0706 ( 2292 PWs) bands (ev): -17.3393 -17.3393 -16.3221 -16.3210 -15.0335 -15.0320 -15.0274 -15.0272 -5.3593 -5.3587 -5.0695 -5.0665 -3.1477 -3.1459 -3.1352 -3.1337 -0.1522 -0.1447 0.1530 0.1625 0.5928 0.6009 0.6199 0.6285 0.8824 0.8863 1.0606 1.0623 2.9229 2.9246 2.9275 2.9293 12.6355 12.6415 12.6564 12.6587 13.1767 13.1831 13.2335 13.2344 k = 0.5000 0.4612 0.0565 ( 2296 PWs) bands (ev): -17.3396 -17.3396 -16.3220 -16.3211 -15.0334 -15.0322 -15.0275 -15.0274 -5.3572 -5.3567 -5.0668 -5.0645 -3.1468 -3.1453 -3.1348 -3.1334 -0.1358 -0.1296 0.1826 0.1911 0.5911 0.5980 0.6121 0.6207 0.8509 0.8546 1.0379 1.0393 2.9268 2.9283 2.9312 2.9326 12.6446 12.6499 12.6630 12.6647 13.1632 13.1686 13.2237 13.2245 k = 0.5000 0.4612 0.0424 ( 2300 PWs) bands (ev): -17.3398 -17.3398 -16.3219 -16.3212 -15.0333 -15.0324 -15.0276 -15.0275 -5.3557 -5.3553 -5.0647 -5.0630 -3.1461 -3.1449 -3.1343 -3.1331 -0.1223 -0.1174 0.2092 0.2163 0.5897 0.5952 0.6040 0.6118 0.8257 0.8290 1.0197 1.0209 2.9299 2.9310 2.9341 2.9352 12.6520 12.6564 12.6689 12.6700 13.1524 13.1566 13.2157 13.2163 k = 0.5000 0.4612 0.0283 ( 2296 PWs) bands (ev): -17.3400 -17.3400 -16.3217 -16.3213 -15.0333 -15.0326 -15.0276 -15.0276 -5.3545 -5.3543 -5.0631 -5.0620 -3.1456 -3.1447 -3.1338 -3.1330 -0.1120 -0.1087 0.2310 0.2363 0.5886 0.5925 0.5970 0.6030 0.8078 0.8103 1.0066 1.0075 2.9322 2.9330 2.9362 2.9370 12.6577 12.6607 12.6736 12.6743 13.1446 13.1475 13.2099 13.2103 k = 0.5000 0.4612 0.0141 ( 2282 PWs) bands (ev): -17.3401 -17.3400 -16.3216 -16.3214 -15.0331 -15.0328 -15.0276 -15.0276 -5.3538 -5.3537 -5.0621 -5.0615 -3.1451 -3.1447 -3.1334 -3.1330 -0.1053 -0.1036 0.2460 0.2489 0.5873 0.5896 0.5934 0.5965 0.7974 0.7988 0.9987 0.9991 2.9337 2.9341 2.9377 2.9380 12.6615 12.6630 12.6767 12.6771 13.1401 13.1416 13.2063 13.2065 k = 0.5000 0.4612 0.0000 ( 2286 PWs) bands (ev): -17.3401 -17.3401 -16.3215 -16.3215 -15.0330 -15.0330 -15.0276 -15.0276 -5.3535 -5.3535 -5.0615 -5.0615 -3.1448 -3.1448 -3.1331 -3.1331 -0.1024 -0.1024 0.2523 0.2523 0.5872 0.5872 0.5935 0.5935 0.7945 0.7945 0.9962 0.9962 2.9343 2.9343 2.9382 2.9382 12.6633 12.6633 12.6779 12.6779 13.1391 13.1391 13.2051 13.2051 k = 0.0000 0.0000 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3195 -16.3465 -16.3465 -15.0072 -15.0072 -14.9521 -14.9521 -5.8927 -5.8927 -5.5807 -5.5807 -2.9776 -2.9776 -2.8493 -2.8493 -0.4533 -0.4533 -0.4361 -0.4361 0.6227 0.6227 0.7151 0.7151 1.9919 1.9919 2.4097 2.4097 2.7793 2.7793 2.8164 2.8164 12.7515 12.7515 12.9838 12.9838 13.0861 13.0861 13.8987 13.8987 k = 0.0104 0.0096 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3195 -16.3466 -16.3464 -15.0074 -15.0070 -14.9522 -14.9521 -5.8925 -5.8924 -5.5807 -5.5801 -2.9787 -2.9783 -2.8502 -2.8500 -0.4540 -0.4525 -0.4360 -0.4353 0.6234 0.6246 0.7158 0.7165 1.9914 1.9916 2.4095 2.4097 2.7786 2.7790 2.8156 2.8161 12.7513 12.7516 12.9791 12.9838 13.0856 13.0895 13.8957 13.8961 k = 0.0208 0.0192 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3195 -16.3467 -16.3462 -15.0076 -15.0069 -14.9522 -14.9522 -5.8916 -5.8914 -5.5802 -5.5790 -2.9819 -2.9811 -2.8526 -2.8521 -0.4549 -0.4519 -0.4351 -0.4337 0.6266 0.6289 0.7185 0.7199 1.9902 1.9906 2.4091 2.4096 2.7768 2.7776 2.8137 2.8147 12.7510 12.7517 12.9707 12.9793 13.0879 13.0949 13.8874 13.8882 k = 0.0312 0.0288 0.7375 ( 2320 PWs) bands (ev): -17.3195 -17.3194 -16.3468 -16.3461 -15.0079 -15.0068 -14.9523 -14.9523 -5.8901 -5.8898 -5.5791 -5.5773 -2.9869 -2.9857 -2.8564 -2.8557 -0.4559 -0.4516 -0.4333 -0.4311 0.6323 0.6358 0.7233 0.7252 1.9881 1.9888 2.4086 2.4093 2.7741 2.7753 2.8108 2.8122 12.7506 12.7516 12.9594 12.9710 13.0924 13.1015 13.8742 13.8754 k = 0.0417 0.0384 0.7375 ( 2320 PWs) bands (ev): -17.3194 -17.3194 -16.3468 -16.3459 -15.0082 -15.0067 -14.9524 -14.9524 -5.8880 -5.8877 -5.5775 -5.5751 -2.9937 -2.9921 -2.8617 -2.8607 -0.4571 -0.4515 -0.4306 -0.4276 0.6403 0.6449 0.7299 0.7326 1.9854 1.9863 2.4079 2.4088 2.7704 2.7720 2.8068 2.8088 12.7502 12.7515 12.9461 12.9598 13.0982 13.1086 13.8568 13.8583 k = 0.0521 0.0480 0.7375 ( 2320 PWs) bands (ev): -17.3194 -17.3194 -16.3469 -16.3456 -15.0086 -15.0067 -14.9525 -14.9525 -5.8853 -5.8849 -5.5754 -5.5724 -3.0022 -3.0002 -2.8682 -2.8670 -0.4586 -0.4517 -0.4270 -0.4232 0.6506 0.6563 0.7385 0.7418 1.9818 1.9830 2.4070 2.4082 2.7658 2.7677 2.8019 2.8043 12.7497 12.7514 12.9315 12.9466 13.1045 13.1156 13.8359 13.8377 k = 0.0625 0.0576 0.7375 ( 2316 PWs) bands (ev): -17.3193 -17.3193 -16.3469 -16.3454 -15.0089 -15.0067 -14.9527 -14.9527 -5.8822 -5.8817 -5.5728 -5.5692 -3.0121 -3.0098 -2.8759 -2.8744 -0.4602 -0.4523 -0.4226 -0.4181 0.6629 0.6696 0.7490 0.7528 1.9776 1.9790 2.4060 2.4074 2.7604 2.7627 2.7961 2.7989 12.7493 12.7514 12.9159 12.9321 13.1109 13.1223 13.8123 13.8143 k = 0.0729 0.0673 0.7375 ( 2312 PWs) bands (ev): -17.3193 -17.3192 -16.3469 -16.3452 -15.0093 -15.0068 -14.9529 -14.9528 -5.8786 -5.8780 -5.5698 -5.5656 -3.0234 -3.0207 -2.8847 -2.8829 -0.4621 -0.4531 -0.4176 -0.4122 0.6771 0.6848 0.7611 0.7656 1.9726 1.9742 2.4048 2.4065 2.7542 2.7569 2.7894 2.7928 12.7488 12.7513 12.8996 12.9168 13.1169 13.1285 13.7869 13.7890 k = 0.0833 0.0769 0.7375 ( 2312 PWs) bands (ev): -17.3192 -17.3192 -16.3468 -16.3449 -15.0097 -15.0069 -14.9531 -14.9530 -5.8746 -5.8739 -5.5664 -5.5617 -3.0358 -3.0328 -2.8944 -2.8923 -0.4640 -0.4541 -0.4120 -0.4059 0.6929 0.7014 0.7749 0.7798 1.9669 1.9688 2.4034 2.4054 2.7474 2.7505 2.7820 2.7859 12.7485 12.7512 12.8831 12.9010 13.1224 13.1341 13.7602 13.7623 k = 0.0938 0.0865 0.7375 ( 2316 PWs) bands (ev): -17.3191 -17.3191 -16.3468 -16.3447 -15.0102 -15.0070 -14.9533 -14.9532 -5.8702 -5.8695 -5.5627 -5.5575 -3.0491 -3.0457 -2.9048 -2.9025 -0.4660 -0.4553 -0.4060 -0.3992 0.7100 0.7194 0.7901 0.7955 1.9605 1.9626 2.4019 2.4042 2.7400 2.7435 2.7739 2.7783 12.7482 12.7513 12.8664 12.8849 13.1274 13.1390 13.7328 13.7350 k = 0.1042 0.0961 0.7375 ( 2304 PWs) bands (ev): -17.3190 -17.3190 -16.3467 -16.3444 -15.0106 -15.0071 -14.9535 -14.9535 -5.8656 -5.8648 -5.5587 -5.5530 -3.0630 -3.0594 -2.9157 -2.9132 -0.4680 -0.4566 -0.3998 -0.3923 0.7281 0.7383 0.8066 0.8125 1.9535 1.9558 2.4002 2.4028 2.7322 2.7361 2.7654 2.7703 12.7480 12.7516 12.8498 12.8689 13.1319 13.1433 13.7053 13.7075 k = 0.1146 0.1057 0.7375 ( 2306 PWs) bands (ev): -17.3189 -17.3189 -16.3467 -16.3442 -15.0110 -15.0072 -14.9538 -14.9537 -5.8607 -5.8598 -5.5546 -5.5484 -3.0774 -3.0735 -2.9271 -2.9242 -0.4701 -0.4579 -0.3935 -0.3854 0.7470 0.7579 0.8241 0.8304 1.9458 1.9484 2.3983 2.4013 2.7241 2.7284 2.7565 2.7619 12.7480 12.7519 12.8336 12.8531 13.1357 13.1470 13.6780 13.6802 k = 0.1250 0.1153 0.7375 ( 2306 PWs) bands (ev): -17.3189 -17.3188 -16.3466 -16.3439 -15.0115 -15.0074 -14.9540 -14.9539 -5.8558 -5.8548 -5.5504 -5.5436 -3.0919 -3.0877 -2.9386 -2.9355 -0.4720 -0.4593 -0.3872 -0.3785 0.7663 0.7779 0.8424 0.8491 1.9377 1.9405 2.3964 2.3996 2.7158 2.7206 2.7474 2.7533 12.7481 12.7524 12.8178 12.8377 13.1389 13.1502 13.6514 13.6536 k = 0.1354 0.1249 0.7375 ( 2310 PWs) bands (ev): -17.3188 -17.3187 -16.3465 -16.3437 -15.0119 -15.0076 -14.9543 -14.9542 -5.8508 -5.8498 -5.5461 -5.5389 -3.1063 -3.1020 -2.9500 -2.9467 -0.4739 -0.4606 -0.3810 -0.3719 0.7857 0.7979 0.8612 0.8683 1.9291 1.9322 2.3943 2.3978 2.7076 2.7127 2.7382 2.7446 12.7484 12.7531 12.8027 12.8229 13.1417 13.1528 13.6258 13.6278 k = 0.1458 0.1345 0.7375 ( 2310 PWs) bands (ev): -17.3187 -17.3187 -16.3464 -16.3434 -15.0123 -15.0077 -14.9545 -14.9544 -5.8459 -5.8448 -5.5419 -5.5342 -3.1205 -3.1159 -2.9613 -2.9577 -0.4757 -0.4619 -0.3750 -0.3655 0.8049 0.8176 0.8803 0.8877 1.9202 1.9235 2.3921 2.3960 2.6994 2.7050 2.7292 2.7360 12.7488 12.7539 12.7885 12.8089 13.1439 13.1549 13.6015 13.6034 k = 0.1562 0.1441 0.7375 ( 2310 PWs) bands (ev): -17.3186 -17.3186 -16.3463 -16.3432 -15.0127 -15.0079 -14.9547 -14.9546 -5.8411 -5.8399 -5.5377 -5.5297 -3.1340 -3.1292 -2.9721 -2.9683 -0.4774 -0.4632 -0.3694 -0.3595 0.8235 0.8367 0.8993 0.9069 1.9111 1.9147 2.3898 2.3940 2.6916 2.6975 2.7204 2.7277 12.7493 12.7548 12.7753 12.7958 13.1458 13.1567 13.5786 13.5804 k = 0.1667 0.1537 0.7375 ( 2306 PWs) bands (ev): -17.3185 -17.3185 -16.3463 -16.3430 -15.0131 -15.0081 -14.9550 -14.9549 -5.8365 -5.8353 -5.5338 -5.5254 -3.1468 -3.1419 -2.9824 -2.9783 -0.4789 -0.4643 -0.3642 -0.3540 0.8413 0.8549 0.9178 0.9257 1.9021 1.9058 2.3876 2.3921 2.6841 2.6904 2.7120 2.7198 12.7496 12.7559 12.7634 12.7837 13.1472 13.1580 13.5575 13.5591 k = 0.1771 0.1633 0.7375 ( 2306 PWs) bands (ev): -17.3185 -17.3184 -16.3462 -16.3428 -15.0134 -15.0082 -14.9552 -14.9551 -5.8322 -5.8310 -5.5301 -5.5214 -3.1587 -3.1535 -2.9918 -2.9876 -0.4802 -0.4654 -0.3595 -0.3489 0.8579 0.8719 0.9355 0.9435 1.8933 1.8972 2.3854 2.3902 2.6772 2.6839 2.7042 2.7124 12.7479 12.7548 12.7570 12.7728 13.1484 13.1591 13.5383 13.5398 k = 0.1875 0.1729 0.7375 ( 2312 PWs) bands (ev): -17.3184 -17.3184 -16.3461 -16.3426 -15.0137 -15.0084 -14.9554 -14.9552 -5.8284 -5.8271 -5.5268 -5.5178 -3.1693 -3.1641 -3.0004 -2.9960 -0.4815 -0.4663 -0.3553 -0.3445 0.8729 0.8873 0.9519 0.9601 1.8849 1.8890 2.3833 2.3884 2.6709 2.6779 2.6971 2.7056 12.7404 12.7533 12.7581 12.7632 13.1492 13.1599 13.5212 13.5226 k = 0.1979 0.1825 0.7375 ( 2308 PWs) bands (ev): -17.3183 -17.3183 -16.3461 -16.3425 -15.0140 -15.0085 -14.9555 -14.9554 -5.8250 -5.8236 -5.5238 -5.5146 -3.1786 -3.1733 -3.0079 -3.0034 -0.4825 -0.4671 -0.3516 -0.3407 0.8862 0.9008 0.9667 0.9751 1.8772 1.8814 2.3814 2.3867 2.6654 2.6727 2.6909 2.6997 12.7324 12.7537 12.7547 12.7595 13.1499 13.1605 13.5064 13.5077 k = 0.2083 0.1922 0.7375 ( 2306 PWs) bands (ev): -17.3183 -17.3182 -16.3460 -16.3423 -15.0142 -15.0086 -14.9556 -14.9555 -5.8221 -5.8207 -5.5213 -5.5119 -3.1865 -3.1810 -3.0142 -3.0096 -0.4833 -0.4678 -0.3486 -0.3375 0.8974 0.9123 0.9794 0.9879 1.8704 1.8748 2.3797 2.3852 2.6608 2.6683 2.6857 2.6947 12.7255 12.7478 12.7544 12.7604 13.1504 13.1609 13.4941 13.4953 k = 0.2188 0.2018 0.7375 ( 2308 PWs) bands (ev): -17.3183 -17.3182 -16.3460 -16.3422 -15.0144 -15.0087 -14.9558 -14.9556 -5.8198 -5.8184 -5.5194 -5.5097 -3.1927 -3.1872 -3.0193 -3.0145 -0.4840 -0.4683 -0.3463 -0.3350 0.9064 0.9215 0.9898 0.9983 1.8649 1.8693 2.3783 2.3840 2.6570 2.6648 2.6815 2.6908 12.7200 12.7424 12.7550 12.7613 13.1507 13.1612 13.4844 13.4855 k = 0.2292 0.2114 0.7375 ( 2308 PWs) bands (ev): -17.3182 -17.3182 -16.3459 -16.3422 -15.0145 -15.0088 -14.9558 -14.9557 -5.8181 -5.8167 -5.5179 -5.5082 -3.1972 -3.1916 -3.0229 -3.0181 -0.4845 -0.4687 -0.3446 -0.3332 0.9130 0.9282 0.9974 1.0060 1.8607 1.8652 2.3772 2.3830 2.6543 2.6623 2.6784 2.6879 12.7160 12.7384 12.7555 12.7619 13.1510 13.1614 13.4774 13.4784 k = 0.2396 0.2210 0.7375 ( 2308 PWs) bands (ev): -17.3182 -17.3182 -16.3459 -16.3421 -15.0146 -15.0088 -14.9559 -14.9558 -5.8171 -5.8156 -5.5170 -5.5072 -3.1999 -3.1943 -3.0251 -3.0202 -0.4847 -0.4690 -0.3435 -0.3321 0.9169 0.9323 1.0021 1.0108 1.8581 1.8627 2.3766 2.3825 2.6527 2.6607 2.6766 2.6861 12.7137 12.7361 12.7558 12.7624 13.1511 13.1615 13.4731 13.4741 k = 0.2500 0.2306 0.7375 ( 2304 PWs) bands (ev): -17.3182 -17.3182 -16.3459 -16.3421 -15.0146 -15.0088 -14.9559 -14.9558 -5.8167 -5.8153 -5.5167 -5.5069 -3.2008 -3.1952 -3.0259 -3.0210 -0.4848 -0.4690 -0.3432 -0.3318 0.9183 0.9336 1.0037 1.0123 1.8573 1.8619 2.3764 2.3823 2.6522 2.6602 2.6760 2.6855 12.7129 12.7353 12.7560 12.7625 13.1511 13.1616 13.4717 13.4727 Writing output data file BPO4.save init_run : 3.48s CPU 12.29s WALL ( 1 calls) electrons : 438.57s CPU 445.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.92s WALL ( 1 calls) Called by electrons: c_bands : 438.54s CPU 444.77s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.94s WALL ( 1 calls) v_h : 0.03s CPU 0.10s WALL ( 1 calls) v_xc : 0.05s CPU 0.60s WALL ( 1 calls) newd : 0.22s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 380 calls) cegterg : 400.18s CPU 403.72s WALL ( 760 calls) Called by sum_band: Called by *egterg: h_psi : 179.76s CPU 187.14s WALL ( 13940 calls) s_psi : 12.93s CPU 13.91s WALL ( 13940 calls) g_psi : 0.33s CPU 0.37s WALL ( 12800 calls) cdiaghg : 155.87s CPU 154.01s WALL ( 13180 calls) cegterg:over : 34.45s CPU 30.24s WALL ( 12800 calls) cegterg:upda : 2.95s CPU 5.95s WALL ( 12800 calls) cegterg:last : 3.24s CPU 4.11s WALL ( 2289 calls) Called by h_psi: h_psi:vloc : 146.56s CPU 153.51s WALL ( 13940 calls) h_psi:vnl : 33.11s CPU 33.21s WALL ( 13940 calls) add_vuspsi : 6.81s CPU 10.92s WALL ( 13940 calls) General routines calbec : 26.26s CPU 22.17s WALL ( 13940 calls) fft : 0.22s CPU 1.01s WALL ( 19 calls) ffts : 0.01s CPU 0.50s WALL ( 4 calls) fftw : 138.19s CPU 143.44s WALL ( 1169616 calls) interpolate : 0.06s CPU 0.56s WALL ( 4 calls) davcio : 0.02s CPU 1.40s WALL ( 760 calls) Parallel routines fft_scatter : 94.35s CPU 97.93s WALL ( 1169639 calls) PWSCF : 8m 3.68s CPU 9m46.44s WALL This run was terminated on: 12:59:36 18Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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