Program PWSCF v.5.1.1 starts on 13Jun2016 at 6:32:40 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: ./Li4CO4.save/ 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 47 47 13 1733 1733 254 Max 48 48 14 1736 1736 258 Sum 2269 2269 637 83243 83243 12309 bravais-lattice index = 14 lattice parameter (alat) = 9.4618 a.u. unit-cell volume = 592.7008 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.461788 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.183672 celldm(5)= -0.183672 celldm(6)= -0.632657 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.632657 0.774432 0.000000 ) a(3) = ( -0.183672 -0.387216 0.903509 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.816930 0.553398 ) b(2) = ( 0.000000 1.291269 0.553398 ) b(3) = ( 0.000000 0.000000 1.106796 ) 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 Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops. (no inversion) 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 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0158114), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0316227), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0474341), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0632455), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0790568), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.0948682), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.1106796), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.1264910), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.1423023), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.1581137), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.1739251), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.1897364), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.2055478), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.2213592), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.2371705), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.2529819), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.2687933), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.2846047), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.3004160), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.3162274), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.3320388), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.3478501), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.3636615), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.3794729), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.3952842), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.4110956), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.4269070), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.4427184), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.4585297), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.4743411), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.4901525), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.5059638), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.5217752), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.5375866), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.5533979), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.5533979), wk = 0.0029851 k( 38) = ( -0.0142857 0.0067763 0.5533979), wk = 0.0029851 k( 39) = ( -0.0285714 0.0135525 0.5533979), wk = 0.0029851 k( 40) = ( -0.0428571 0.0203288 0.5533979), wk = 0.0029851 k( 41) = ( -0.0571429 0.0271051 0.5533979), wk = 0.0029851 k( 42) = ( -0.0714286 0.0338813 0.5533979), wk = 0.0029851 k( 43) = ( -0.0857143 0.0406576 0.5533979), wk = 0.0029851 k( 44) = ( -0.1000000 0.0474339 0.5533979), wk = 0.0029851 k( 45) = ( -0.1142857 0.0542101 0.5533979), wk = 0.0029851 k( 46) = ( -0.1285714 0.0609864 0.5533979), wk = 0.0029851 k( 47) = ( -0.1428571 0.0677627 0.5533979), wk = 0.0029851 k( 48) = ( -0.1571429 0.0745389 0.5533979), wk = 0.0029851 k( 49) = ( -0.1714286 0.0813152 0.5533979), wk = 0.0029851 k( 50) = ( -0.1857143 0.0880915 0.5533979), wk = 0.0029851 k( 51) = ( -0.2000000 0.0948677 0.5533979), wk = 0.0029851 k( 52) = ( -0.2142857 0.1016440 0.5533979), wk = 0.0029851 k( 53) = ( -0.2285714 0.1084203 0.5533979), wk = 0.0029851 k( 54) = ( -0.2428571 0.1151965 0.5533979), wk = 0.0029851 k( 55) = ( -0.2571429 0.1219728 0.5533979), wk = 0.0029851 k( 56) = ( -0.2714286 0.1287491 0.5533979), wk = 0.0029851 k( 57) = ( -0.2857143 0.1355253 0.5533979), wk = 0.0029851 k( 58) = ( -0.3000000 0.1423016 0.5533979), wk = 0.0029851 k( 59) = ( -0.3142857 0.1490778 0.5533979), wk = 0.0029851 k( 60) = ( -0.3285714 0.1558541 0.5533979), wk = 0.0029851 k( 61) = ( -0.3428571 0.1626304 0.5533979), wk = 0.0029851 k( 62) = ( -0.3571429 0.1694066 0.5533979), wk = 0.0029851 k( 63) = ( -0.3714286 0.1761829 0.5533979), wk = 0.0029851 k( 64) = ( -0.3857143 0.1829592 0.5533979), wk = 0.0029851 k( 65) = ( -0.4000000 0.1897354 0.5533979), wk = 0.0029851 k( 66) = ( -0.4142857 0.1965117 0.5533979), wk = 0.0029851 k( 67) = ( -0.4285714 0.2032880 0.5533979), wk = 0.0029851 k( 68) = ( -0.4428571 0.2100642 0.5533979), wk = 0.0029851 k( 69) = ( -0.4571429 0.2168405 0.5533979), wk = 0.0029851 k( 70) = ( -0.4714286 0.2236168 0.5533979), wk = 0.0029851 k( 71) = ( -0.4857143 0.2303930 0.5533979), wk = 0.0029851 k( 72) = ( -0.5000000 0.2371693 0.5533979), wk = 0.0029851 k( 73) = ( -0.5000000 0.2371693 0.5533979), wk = 0.0029851 k( 74) = ( -0.4900000 0.2324259 0.5423300), wk = 0.0029851 k( 75) = ( -0.4800000 0.2276825 0.5312620), wk = 0.0029851 k( 76) = ( -0.4700000 0.2229391 0.5201941), wk = 0.0029851 k( 77) = ( -0.4600000 0.2181958 0.5091261), wk = 0.0029851 k( 78) = ( -0.4500000 0.2134524 0.4980581), wk = 0.0029851 k( 79) = ( -0.4400000 0.2087090 0.4869902), wk = 0.0029851 k( 80) = ( -0.4300000 0.2039656 0.4759222), wk = 0.0029851 k( 81) = ( -0.4200000 0.1992222 0.4648543), wk = 0.0029851 k( 82) = ( -0.4100000 0.1944788 0.4537863), wk = 0.0029851 k( 83) = ( -0.4000000 0.1897354 0.4427184), wk = 0.0029851 k( 84) = ( -0.3900000 0.1849921 0.4316504), wk = 0.0029851 k( 85) = ( -0.3800000 0.1802487 0.4205824), wk = 0.0029851 k( 86) = ( -0.3700000 0.1755053 0.4095145), wk = 0.0029851 k( 87) = ( -0.3600000 0.1707619 0.3984465), wk = 0.0029851 k( 88) = ( -0.3500000 0.1660185 0.3873786), wk = 0.0029851 k( 89) = ( -0.3400000 0.1612751 0.3763106), wk = 0.0029851 k( 90) = ( -0.3300000 0.1565317 0.3652426), wk = 0.0029851 k( 91) = ( -0.3200000 0.1517884 0.3541747), wk = 0.0029851 k( 92) = ( -0.3100000 0.1470450 0.3431067), wk = 0.0029851 k( 93) = ( -0.3000000 0.1423016 0.3320388), wk = 0.0029851 k( 94) = ( -0.2900000 0.1375582 0.3209708), wk = 0.0029851 k( 95) = ( -0.2800000 0.1328148 0.3099028), wk = 0.0029851 k( 96) = ( -0.2700000 0.1280714 0.2988349), wk = 0.0029851 k( 97) = ( -0.2600000 0.1233280 0.2877669), wk = 0.0029851 k( 98) = ( -0.2500000 0.1185847 0.2766990), wk = 0.0029851 k( 99) = ( -0.2400000 0.1138413 0.2656310), wk = 0.0029851 k( 100) = ( -0.2300000 0.1090979 0.2545631), wk = 0.0029851 k( 101) = ( -0.2200000 0.1043545 0.2434951), wk = 0.0029851 k( 102) = ( -0.2100000 0.0996111 0.2324271), wk = 0.0029851 k( 103) = ( -0.2000000 0.0948677 0.2213592), wk = 0.0029851 k( 104) = ( -0.1900000 0.0901243 0.2102912), wk = 0.0029851 k( 105) = ( -0.1800000 0.0853809 0.1992233), wk = 0.0029851 k( 106) = ( -0.1700000 0.0806376 0.1881553), wk = 0.0029851 k( 107) = ( -0.1600000 0.0758942 0.1770873), wk = 0.0029851 k( 108) = ( -0.1500000 0.0711508 0.1660194), wk = 0.0029851 k( 109) = ( -0.1400000 0.0664074 0.1549514), wk = 0.0029851 k( 110) = ( -0.1300000 0.0616640 0.1438835), wk = 0.0029851 k( 111) = ( -0.1200000 0.0569206 0.1328155), wk = 0.0029851 k( 112) = ( -0.1100000 0.0521772 0.1217475), wk = 0.0029851 k( 113) = ( -0.1000000 0.0474339 0.1106796), wk = 0.0029851 k( 114) = ( -0.0900000 0.0426905 0.0996116), wk = 0.0029851 k( 115) = ( -0.0800000 0.0379471 0.0885437), wk = 0.0029851 k( 116) = ( -0.0700000 0.0332037 0.0774757), wk = 0.0029851 k( 117) = ( -0.0600000 0.0284603 0.0664078), wk = 0.0029851 k( 118) = ( -0.0500000 0.0237169 0.0553398), wk = 0.0029851 k( 119) = ( -0.0400000 0.0189735 0.0442718), wk = 0.0029851 k( 120) = ( -0.0300000 0.0142302 0.0332039), wk = 0.0029851 k( 121) = ( -0.0200000 0.0094868 0.0221359), wk = 0.0029851 k( 122) = ( -0.0100000 0.0047434 0.0110680), wk = 0.0029851 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 125) = ( 0.0067129 0.0141522 0.0000000), wk = 0.0029851 k( 126) = ( 0.0134259 0.0283044 0.0000000), wk = 0.0029851 k( 127) = ( 0.0201388 0.0424566 0.0000000), wk = 0.0029851 k( 128) = ( 0.0268518 0.0566088 0.0000000), wk = 0.0029851 k( 129) = ( 0.0335647 0.0707610 0.0000000), wk = 0.0029851 k( 130) = ( 0.0402776 0.0849132 0.0000000), wk = 0.0029851 k( 131) = ( 0.0469905 0.0990654 0.0000000), wk = 0.0029851 k( 132) = ( 0.0537035 0.1132176 0.0000000), wk = 0.0029851 k( 133) = ( 0.0604164 0.1273698 0.0000000), wk = 0.0029851 k( 134) = ( 0.0671294 0.1415220 0.0000000), wk = 0.0029851 k( 135) = ( 0.0738423 0.1556742 0.0000000), wk = 0.0029851 k( 136) = ( 0.0805552 0.1698264 0.0000000), wk = 0.0029851 k( 137) = ( 0.0872682 0.1839786 0.0000000), wk = 0.0029851 k( 138) = ( 0.0939811 0.1981308 0.0000000), wk = 0.0029851 k( 139) = ( 0.1006940 0.2122830 0.0000000), wk = 0.0029851 k( 140) = ( 0.1074070 0.2264352 0.0000000), wk = 0.0029851 k( 141) = ( 0.1141199 0.2405875 0.0000000), wk = 0.0029851 k( 142) = ( 0.1208329 0.2547396 0.0000000), wk = 0.0029851 k( 143) = ( 0.1275458 0.2688919 0.0000000), wk = 0.0029851 k( 144) = ( 0.1342587 0.2830441 0.0000000), wk = 0.0029851 k( 145) = ( 0.1409717 0.2971963 0.0000000), wk = 0.0029851 k( 146) = ( 0.1476846 0.3113485 0.0000000), wk = 0.0029851 k( 147) = ( 0.1543975 0.3255007 0.0000000), wk = 0.0029851 k( 148) = ( 0.1611105 0.3396529 0.0000000), wk = 0.0029851 k( 149) = ( 0.1678234 0.3538051 0.0000000), wk = 0.0029851 k( 150) = ( 0.1745363 0.3679573 0.0000000), wk = 0.0029851 k( 151) = ( 0.1812493 0.3821095 0.0000000), wk = 0.0029851 k( 152) = ( 0.1879622 0.3962617 0.0000000), wk = 0.0029851 k( 153) = ( 0.1946751 0.4104139 0.0000000), wk = 0.0029851 k( 154) = ( 0.2013881 0.4245661 0.0000000), wk = 0.0029851 k( 155) = ( 0.2081010 0.4387183 0.0000000), wk = 0.0029851 k( 156) = ( 0.2148140 0.4528705 0.0000000), wk = 0.0029851 k( 157) = ( 0.2215269 0.4670227 0.0000000), wk = 0.0029851 k( 158) = ( 0.2282398 0.4811749 0.0000000), wk = 0.0029851 k( 159) = ( 0.2349528 0.4953271 0.0000000), wk = 0.0029851 k( 160) = ( 0.2416657 0.5094793 0.0000000), wk = 0.0029851 k( 161) = ( 0.2483786 0.5236315 0.0000000), wk = 0.0029851 k( 162) = ( 0.2550916 0.5377837 0.0000000), wk = 0.0029851 k( 163) = ( 0.2618045 0.5519359 0.0000000), wk = 0.0029851 k( 164) = ( 0.2685174 0.5660881 0.0000000), wk = 0.0029851 k( 165) = ( 0.2752304 0.5802403 0.0000000), wk = 0.0029851 k( 166) = ( 0.2819433 0.5943925 0.0000000), wk = 0.0029851 k( 167) = ( 0.2886563 0.6085447 0.0000000), wk = 0.0029851 k( 168) = ( 0.2953692 0.6226969 0.0000000), wk = 0.0029851 k( 169) = ( 0.3020821 0.6368491 0.0000000), wk = 0.0029851 k( 170) = ( 0.3087951 0.6510013 0.0000000), wk = 0.0029851 k( 171) = ( 0.3155080 0.6651535 0.0000000), wk = 0.0029851 k( 172) = ( 0.3222209 0.6793057 0.0000000), wk = 0.0029851 k( 173) = ( 0.3289339 0.6934580 0.0000000), wk = 0.0029851 k( 174) = ( 0.3356468 0.7076101 0.0000000), wk = 0.0029851 k( 175) = ( 0.3423598 0.7217624 0.0000000), wk = 0.0029851 k( 176) = ( 0.3490727 0.7359146 0.0000000), wk = 0.0029851 k( 177) = ( 0.3557856 0.7500668 0.0000000), wk = 0.0029851 k( 178) = ( 0.3624986 0.7642190 0.0000000), wk = 0.0029851 k( 179) = ( 0.3624986 0.7642190 0.0000000), wk = 0.0029851 k( 180) = ( 0.3596140 0.7581377 0.0141897), wk = 0.0029851 k( 181) = ( 0.3567294 0.7520564 0.0283794), wk = 0.0029851 k( 182) = ( 0.3538448 0.7459752 0.0425691), wk = 0.0029851 k( 183) = ( 0.3509602 0.7398939 0.0567588), wk = 0.0029851 k( 184) = ( 0.3480757 0.7338126 0.0709485), wk = 0.0029851 k( 185) = ( 0.3451911 0.7277314 0.0851381), wk = 0.0029851 k( 186) = ( 0.3423065 0.7216501 0.0993278), wk = 0.0029851 k( 187) = ( 0.3394219 0.7155688 0.1135175), wk = 0.0029851 k( 188) = ( 0.3365374 0.7094876 0.1277072), wk = 0.0029851 k( 189) = ( 0.3336528 0.7034063 0.1418969), wk = 0.0029851 k( 190) = ( 0.3307682 0.6973251 0.1560866), wk = 0.0029851 k( 191) = ( 0.3278836 0.6912438 0.1702763), wk = 0.0029851 k( 192) = ( 0.3249990 0.6851625 0.1844660), wk = 0.0029851 k( 193) = ( 0.3221145 0.6790813 0.1986557), wk = 0.0029851 k( 194) = ( 0.3192299 0.6730000 0.2128454), wk = 0.0029851 k( 195) = ( 0.3163453 0.6669187 0.2270350), wk = 0.0029851 k( 196) = ( 0.3134607 0.6608375 0.2412247), wk = 0.0029851 k( 197) = ( 0.3105761 0.6547562 0.2554144), wk = 0.0029851 k( 198) = ( 0.3076916 0.6486749 0.2696041), wk = 0.0029851 k( 199) = ( 0.3048070 0.6425937 0.2837938), wk = 0.0029851 k( 200) = ( 0.3019224 0.6365124 0.2979835), wk = 0.0029851 k( 201) = ( 0.2990378 0.6304311 0.3121732), wk = 0.0029851 k( 202) = ( 0.2961532 0.6243499 0.3263629), wk = 0.0029851 k( 203) = ( 0.2932687 0.6182686 0.3405526), wk = 0.0029851 k( 204) = ( 0.2903841 0.6121874 0.3547423), wk = 0.0029851 k( 205) = ( 0.2874995 0.6061061 0.3689320), wk = 0.0029851 k( 206) = ( 0.2846149 0.6000248 0.3831217), wk = 0.0029851 k( 207) = ( 0.2817304 0.5939436 0.3973113), wk = 0.0029851 k( 208) = ( 0.2788458 0.5878623 0.4115010), wk = 0.0029851 k( 209) = ( 0.2759612 0.5817810 0.4256907), wk = 0.0029851 k( 210) = ( 0.2730766 0.5756998 0.4398804), wk = 0.0029851 k( 211) = ( 0.2701921 0.5696185 0.4540701), wk = 0.0029851 k( 212) = ( 0.2673075 0.5635372 0.4682598), wk = 0.0029851 k( 213) = ( 0.2644229 0.5574560 0.4824495), wk = 0.0029851 k( 214) = ( 0.2615383 0.5513747 0.4966392), wk = 0.0029851 k( 215) = ( 0.2586537 0.5452935 0.5108289), wk = 0.0029851 k( 216) = ( 0.2557692 0.5392122 0.5250186), wk = 0.0029851 k( 217) = ( 0.2528846 0.5331309 0.5392083), wk = 0.0029851 k( 218) = ( 0.2500000 0.5270497 0.5533979), wk = 0.0029851 k( 219) = ( 0.2500000 0.5270497 0.5533979), wk = 0.0029851 k( 220) = ( 0.2400000 0.5317930 0.5423300), wk = 0.0029851 k( 221) = ( 0.2300000 0.5365364 0.5312620), wk = 0.0029851 k( 222) = ( 0.2200000 0.5412798 0.5201941), wk = 0.0029851 k( 223) = ( 0.2100000 0.5460232 0.5091261), wk = 0.0029851 k( 224) = ( 0.2000000 0.5507666 0.4980581), wk = 0.0029851 k( 225) = ( 0.1900000 0.5555100 0.4869902), wk = 0.0029851 k( 226) = ( 0.1800000 0.5602534 0.4759222), wk = 0.0029851 k( 227) = ( 0.1700000 0.5649967 0.4648543), wk = 0.0029851 k( 228) = ( 0.1600000 0.5697401 0.4537863), wk = 0.0029851 k( 229) = ( 0.1500000 0.5744835 0.4427184), wk = 0.0029851 k( 230) = ( 0.1400000 0.5792269 0.4316504), wk = 0.0029851 k( 231) = ( 0.1300000 0.5839703 0.4205824), wk = 0.0029851 k( 232) = ( 0.1200000 0.5887137 0.4095145), wk = 0.0029851 k( 233) = ( 0.1100000 0.5934571 0.3984465), wk = 0.0029851 k( 234) = ( 0.1000000 0.5982004 0.3873786), wk = 0.0029851 k( 235) = ( 0.0900000 0.6029438 0.3763106), wk = 0.0029851 k( 236) = ( 0.0800000 0.6076872 0.3652426), wk = 0.0029851 k( 237) = ( 0.0700000 0.6124306 0.3541747), wk = 0.0029851 k( 238) = ( 0.0600000 0.6171740 0.3431067), wk = 0.0029851 k( 239) = ( 0.0500000 0.6219174 0.3320388), wk = 0.0029851 k( 240) = ( 0.0400000 0.6266608 0.3209708), wk = 0.0029851 k( 241) = ( 0.0300000 0.6314041 0.3099028), wk = 0.0029851 k( 242) = ( 0.0200000 0.6361475 0.2988349), wk = 0.0029851 k( 243) = ( 0.0100000 0.6408909 0.2877669), wk = 0.0029851 k( 244) = ( 0.0000000 0.6456343 0.2766990), wk = 0.0029851 k( 245) = ( 0.0000000 0.6456343 0.2766990), wk = 0.0029851 k( 246) = ( -0.0120833 0.6416815 0.2859223), wk = 0.0029851 k( 247) = ( -0.0241666 0.6377287 0.2951456), wk = 0.0029851 k( 248) = ( -0.0362499 0.6337758 0.3043689), wk = 0.0029851 k( 249) = ( -0.0483331 0.6298230 0.3135922), wk = 0.0029851 k( 250) = ( -0.0604164 0.6258702 0.3228155), wk = 0.0029851 k( 251) = ( -0.0724997 0.6219174 0.3320388), wk = 0.0029851 k( 252) = ( -0.0845830 0.6179646 0.3412621), wk = 0.0029851 k( 253) = ( -0.0966663 0.6140117 0.3504854), wk = 0.0029851 k( 254) = ( -0.1087496 0.6100589 0.3597087), wk = 0.0029851 k( 255) = ( -0.1208329 0.6061061 0.3689320), wk = 0.0029851 k( 256) = ( -0.1329161 0.6021533 0.3781553), wk = 0.0029851 k( 257) = ( -0.1449994 0.5982005 0.3873786), wk = 0.0029851 k( 258) = ( -0.1570827 0.5942476 0.3966019), wk = 0.0029851 k( 259) = ( -0.1691660 0.5902948 0.4058252), wk = 0.0029851 k( 260) = ( -0.1812493 0.5863420 0.4150485), wk = 0.0029851 k( 261) = ( -0.1933326 0.5823892 0.4242717), wk = 0.0029851 k( 262) = ( -0.2054159 0.5784363 0.4334951), wk = 0.0029851 k( 263) = ( -0.2174991 0.5744835 0.4427184), wk = 0.0029851 k( 264) = ( -0.2295824 0.5705307 0.4519417), wk = 0.0029851 k( 265) = ( -0.2416657 0.5665779 0.4611650), wk = 0.0029851 k( 266) = ( -0.2537490 0.5626251 0.4703882), wk = 0.0029851 k( 267) = ( -0.2658323 0.5586722 0.4796115), wk = 0.0029851 k( 268) = ( -0.2779156 0.5547194 0.4888348), wk = 0.0029851 k( 269) = ( -0.2899988 0.5507666 0.4980581), wk = 0.0029851 k( 270) = ( -0.3020821 0.5468138 0.5072814), wk = 0.0029851 k( 271) = ( -0.3141654 0.5428609 0.5165047), wk = 0.0029851 k( 272) = ( -0.3262487 0.5389081 0.5257280), wk = 0.0029851 k( 273) = ( -0.3383320 0.5349553 0.5349513), wk = 0.0029851 k( 274) = ( -0.3504153 0.5310025 0.5441746), wk = 0.0029851 k( 275) = ( -0.3624986 0.5270497 0.5533979), wk = 0.0029851 k( 276) = ( -0.3624986 0.5270497 0.5533979), wk = 0.0029851 k( 277) = ( -0.3690463 0.5132458 0.5533979), wk = 0.0029851 k( 278) = ( -0.3755939 0.4994420 0.5533979), wk = 0.0029851 k( 279) = ( -0.3821416 0.4856382 0.5533979), wk = 0.0029851 k( 280) = ( -0.3886893 0.4718343 0.5533979), wk = 0.0029851 k( 281) = ( -0.3952370 0.4580305 0.5533979), wk = 0.0029851 k( 282) = ( -0.4017847 0.4442267 0.5533979), wk = 0.0029851 k( 283) = ( -0.4083324 0.4304229 0.5533979), wk = 0.0029851 k( 284) = ( -0.4148801 0.4166190 0.5533979), wk = 0.0029851 k( 285) = ( -0.4214277 0.4028152 0.5533979), wk = 0.0029851 k( 286) = ( -0.4279754 0.3890114 0.5533979), wk = 0.0029851 k( 287) = ( -0.4345231 0.3752076 0.5533979), wk = 0.0029851 k( 288) = ( -0.4410708 0.3614037 0.5533979), wk = 0.0029851 k( 289) = ( -0.4476185 0.3475999 0.5533979), wk = 0.0029851 k( 290) = ( -0.4541662 0.3337961 0.5533979), wk = 0.0029851 k( 291) = ( -0.4607139 0.3199923 0.5533979), wk = 0.0029851 k( 292) = ( -0.4672616 0.3061884 0.5533979), wk = 0.0029851 k( 293) = ( -0.4738093 0.2923846 0.5533979), wk = 0.0029851 k( 294) = ( -0.4803569 0.2785808 0.5533979), wk = 0.0029851 k( 295) = ( -0.4869046 0.2647770 0.5533979), wk = 0.0029851 k( 296) = ( -0.4934523 0.2509731 0.5533979), wk = 0.0029851 k( 297) = ( -0.5000000 0.2371693 0.5533979), wk = 0.0029851 k( 298) = ( 0.0000000 0.0000000 0.5533979), wk = 0.0029851 k( 299) = ( 0.0067568 0.0142446 0.5533979), wk = 0.0029851 k( 300) = ( 0.0135135 0.0284892 0.5533979), wk = 0.0029851 k( 301) = ( 0.0202703 0.0427338 0.5533979), wk = 0.0029851 k( 302) = ( 0.0270270 0.0569783 0.5533979), wk = 0.0029851 k( 303) = ( 0.0337838 0.0712229 0.5533979), wk = 0.0029851 k( 304) = ( 0.0405405 0.0854675 0.5533979), wk = 0.0029851 k( 305) = ( 0.0472973 0.0997121 0.5533979), wk = 0.0029851 k( 306) = ( 0.0540540 0.1139567 0.5533979), wk = 0.0029851 k( 307) = ( 0.0608108 0.1282013 0.5533979), wk = 0.0029851 k( 308) = ( 0.0675676 0.1424459 0.5533979), wk = 0.0029851 k( 309) = ( 0.0743243 0.1566904 0.5533979), wk = 0.0029851 k( 310) = ( 0.0810811 0.1709350 0.5533979), wk = 0.0029851 k( 311) = ( 0.0878378 0.1851796 0.5533979), wk = 0.0029851 k( 312) = ( 0.0945946 0.1994242 0.5533979), wk = 0.0029851 k( 313) = ( 0.1013514 0.2136688 0.5533979), wk = 0.0029851 k( 314) = ( 0.1081081 0.2279134 0.5533979), wk = 0.0029851 k( 315) = ( 0.1148649 0.2421579 0.5533979), wk = 0.0029851 k( 316) = ( 0.1216216 0.2564025 0.5533979), wk = 0.0029851 k( 317) = ( 0.1283784 0.2706471 0.5533979), wk = 0.0029851 k( 318) = ( 0.1351351 0.2848917 0.5533979), wk = 0.0029851 k( 319) = ( 0.1418919 0.2991363 0.5533979), wk = 0.0029851 k( 320) = ( 0.1486486 0.3133809 0.5533979), wk = 0.0029851 k( 321) = ( 0.1554054 0.3276255 0.5533979), wk = 0.0029851 k( 322) = ( 0.1621622 0.3418700 0.5533979), wk = 0.0029851 k( 323) = ( 0.1689189 0.3561146 0.5533979), wk = 0.0029851 k( 324) = ( 0.1756757 0.3703592 0.5533979), wk = 0.0029851 k( 325) = ( 0.1824324 0.3846038 0.5533979), wk = 0.0029851 k( 326) = ( 0.1891892 0.3988484 0.5533979), wk = 0.0029851 k( 327) = ( 0.1959460 0.4130930 0.5533979), wk = 0.0029851 k( 328) = ( 0.2027027 0.4273376 0.5533979), wk = 0.0029851 k( 329) = ( 0.2094595 0.4415821 0.5533979), wk = 0.0029851 k( 330) = ( 0.2162162 0.4558267 0.5533979), wk = 0.0029851 k( 331) = ( 0.2229730 0.4700713 0.5533979), wk = 0.0029851 k( 332) = ( 0.2297297 0.4843159 0.5533979), wk = 0.0029851 k( 333) = ( 0.2364865 0.4985605 0.5533979), wk = 0.0029851 k( 334) = ( 0.2432432 0.5128051 0.5533979), wk = 0.0029851 k( 335) = ( 0.2500000 0.5270497 0.5533979), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 38) = ( -0.0142857 0.0142857 0.5000000), wk = 0.0029851 k( 39) = ( -0.0285714 0.0285714 0.5000000), wk = 0.0029851 k( 40) = ( -0.0428571 0.0428571 0.5000000), wk = 0.0029851 k( 41) = ( -0.0571429 0.0571429 0.5000000), wk = 0.0029851 k( 42) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0029851 k( 43) = ( -0.0857143 0.0857143 0.5000000), wk = 0.0029851 k( 44) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0029851 k( 45) = ( -0.1142857 0.1142857 0.5000000), wk = 0.0029851 k( 46) = ( -0.1285714 0.1285714 0.5000000), wk = 0.0029851 k( 47) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0029851 k( 48) = ( -0.1571429 0.1571429 0.5000000), wk = 0.0029851 k( 49) = ( -0.1714286 0.1714286 0.5000000), wk = 0.0029851 k( 50) = ( -0.1857143 0.1857143 0.5000000), wk = 0.0029851 k( 51) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0029851 k( 52) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0029851 k( 53) = ( -0.2285714 0.2285714 0.5000000), wk = 0.0029851 k( 54) = ( -0.2428571 0.2428571 0.5000000), wk = 0.0029851 k( 55) = ( -0.2571429 0.2571429 0.5000000), wk = 0.0029851 k( 56) = ( -0.2714286 0.2714286 0.5000000), wk = 0.0029851 k( 57) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0029851 k( 58) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0029851 k( 59) = ( -0.3142857 0.3142857 0.5000000), wk = 0.0029851 k( 60) = ( -0.3285714 0.3285714 0.5000000), wk = 0.0029851 k( 61) = ( -0.3428571 0.3428571 0.5000000), wk = 0.0029851 k( 62) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0029851 k( 63) = ( -0.3714286 0.3714286 0.5000000), wk = 0.0029851 k( 64) = ( -0.3857143 0.3857143 0.5000000), wk = 0.0029851 k( 65) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0029851 k( 66) = ( -0.4142857 0.4142857 0.5000000), wk = 0.0029851 k( 67) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0029851 k( 68) = ( -0.4428571 0.4428571 0.5000000), wk = 0.0029851 k( 69) = ( -0.4571429 0.4571429 0.5000000), wk = 0.0029851 k( 70) = ( -0.4714286 0.4714286 0.5000000), wk = 0.0029851 k( 71) = ( -0.4857143 0.4857143 0.5000000), wk = 0.0029851 k( 72) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 73) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 74) = ( -0.4900000 0.4900000 0.4900000), wk = 0.0029851 k( 75) = ( -0.4800000 0.4800000 0.4800000), wk = 0.0029851 k( 76) = ( -0.4700000 0.4700000 0.4700000), wk = 0.0029851 k( 77) = ( -0.4600000 0.4600000 0.4600000), wk = 0.0029851 k( 78) = ( -0.4500000 0.4500000 0.4500000), wk = 0.0029851 k( 79) = ( -0.4400000 0.4400000 0.4400000), wk = 0.0029851 k( 80) = ( -0.4300000 0.4300000 0.4300000), wk = 0.0029851 k( 81) = ( -0.4200000 0.4200000 0.4200000), wk = 0.0029851 k( 82) = ( -0.4100000 0.4100000 0.4100000), wk = 0.0029851 k( 83) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0029851 k( 84) = ( -0.3900000 0.3900000 0.3900000), wk = 0.0029851 k( 85) = ( -0.3800000 0.3800000 0.3800000), wk = 0.0029851 k( 86) = ( -0.3700000 0.3700000 0.3700000), wk = 0.0029851 k( 87) = ( -0.3600000 0.3600000 0.3600000), wk = 0.0029851 k( 88) = ( -0.3500000 0.3500000 0.3500000), wk = 0.0029851 k( 89) = ( -0.3400000 0.3400000 0.3400000), wk = 0.0029851 k( 90) = ( -0.3300000 0.3300000 0.3300000), wk = 0.0029851 k( 91) = ( -0.3200000 0.3200000 0.3200000), wk = 0.0029851 k( 92) = ( -0.3100000 0.3100000 0.3100000), wk = 0.0029851 k( 93) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0029851 k( 94) = ( -0.2900000 0.2900000 0.2900000), wk = 0.0029851 k( 95) = ( -0.2800000 0.2800000 0.2800000), wk = 0.0029851 k( 96) = ( -0.2700000 0.2700000 0.2700000), wk = 0.0029851 k( 97) = ( -0.2600000 0.2600000 0.2600000), wk = 0.0029851 k( 98) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 99) = ( -0.2400000 0.2400000 0.2400000), wk = 0.0029851 k( 100) = ( -0.2300000 0.2300000 0.2300000), wk = 0.0029851 k( 101) = ( -0.2200000 0.2200000 0.2200000), wk = 0.0029851 k( 102) = ( -0.2100000 0.2100000 0.2100000), wk = 0.0029851 k( 103) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0029851 k( 104) = ( -0.1900000 0.1900000 0.1900000), wk = 0.0029851 k( 105) = ( -0.1800000 0.1800000 0.1800000), wk = 0.0029851 k( 106) = ( -0.1700000 0.1700000 0.1700000), wk = 0.0029851 k( 107) = ( -0.1600000 0.1600000 0.1600000), wk = 0.0029851 k( 108) = ( -0.1500000 0.1500000 0.1500000), wk = 0.0029851 k( 109) = ( -0.1400000 0.1400000 0.1400000), wk = 0.0029851 k( 110) = ( -0.1300000 0.1300000 0.1300000), wk = 0.0029851 k( 111) = ( -0.1200000 0.1200000 0.1200000), wk = 0.0029851 k( 112) = ( -0.1100000 0.1100000 0.1100000), wk = 0.0029851 k( 113) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0029851 k( 114) = ( -0.0900000 0.0900000 0.0900000), wk = 0.0029851 k( 115) = ( -0.0800000 0.0800000 0.0800000), wk = 0.0029851 k( 116) = ( -0.0700000 0.0700000 0.0700000), wk = 0.0029851 k( 117) = ( -0.0600000 0.0600000 0.0600000), wk = 0.0029851 k( 118) = ( -0.0500000 0.0500000 0.0500000), wk = 0.0029851 k( 119) = ( -0.0400000 0.0400000 0.0400000), wk = 0.0029851 k( 120) = ( -0.0300000 0.0300000 0.0300000), wk = 0.0029851 k( 121) = ( -0.0200000 0.0200000 0.0200000), wk = 0.0029851 k( 122) = ( -0.0100000 0.0100000 0.0100000), wk = 0.0029851 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 125) = ( 0.0067129 0.0067129 -0.0067129), wk = 0.0029851 k( 126) = ( 0.0134259 0.0134259 -0.0134259), wk = 0.0029851 k( 127) = ( 0.0201388 0.0201388 -0.0201388), wk = 0.0029851 k( 128) = ( 0.0268518 0.0268518 -0.0268517), wk = 0.0029851 k( 129) = ( 0.0335647 0.0335647 -0.0335647), wk = 0.0029851 k( 130) = ( 0.0402776 0.0402776 -0.0402776), wk = 0.0029851 k( 131) = ( 0.0469905 0.0469906 -0.0469906), wk = 0.0029851 k( 132) = ( 0.0537035 0.0537035 -0.0537035), wk = 0.0029851 k( 133) = ( 0.0604164 0.0604164 -0.0604164), wk = 0.0029851 k( 134) = ( 0.0671294 0.0671294 -0.0671294), wk = 0.0029851 k( 135) = ( 0.0738423 0.0738423 -0.0738423), wk = 0.0029851 k( 136) = ( 0.0805552 0.0805552 -0.0805552), wk = 0.0029851 k( 137) = ( 0.0872682 0.0872682 -0.0872682), wk = 0.0029851 k( 138) = ( 0.0939811 0.0939811 -0.0939811), wk = 0.0029851 k( 139) = ( 0.1006940 0.1006940 -0.1006940), wk = 0.0029851 k( 140) = ( 0.1074070 0.1074070 -0.1074070), wk = 0.0029851 k( 141) = ( 0.1141199 0.1141199 -0.1141199), wk = 0.0029851 k( 142) = ( 0.1208329 0.1208329 -0.1208328), wk = 0.0029851 k( 143) = ( 0.1275458 0.1275458 -0.1275458), wk = 0.0029851 k( 144) = ( 0.1342587 0.1342587 -0.1342587), wk = 0.0029851 k( 145) = ( 0.1409717 0.1409717 -0.1409717), wk = 0.0029851 k( 146) = ( 0.1476846 0.1476846 -0.1476846), wk = 0.0029851 k( 147) = ( 0.1543975 0.1543975 -0.1543975), wk = 0.0029851 k( 148) = ( 0.1611105 0.1611105 -0.1611105), wk = 0.0029851 k( 149) = ( 0.1678234 0.1678234 -0.1678234), wk = 0.0029851 k( 150) = ( 0.1745363 0.1745363 -0.1745363), wk = 0.0029851 k( 151) = ( 0.1812493 0.1812493 -0.1812493), wk = 0.0029851 k( 152) = ( 0.1879622 0.1879622 -0.1879622), wk = 0.0029851 k( 153) = ( 0.1946751 0.1946752 -0.1946752), wk = 0.0029851 k( 154) = ( 0.2013881 0.2013881 -0.2013881), wk = 0.0029851 k( 155) = ( 0.2081010 0.2081010 -0.2081010), wk = 0.0029851 k( 156) = ( 0.2148140 0.2148140 -0.2148140), wk = 0.0029851 k( 157) = ( 0.2215269 0.2215269 -0.2215269), wk = 0.0029851 k( 158) = ( 0.2282398 0.2282398 -0.2282398), wk = 0.0029851 k( 159) = ( 0.2349528 0.2349528 -0.2349528), wk = 0.0029851 k( 160) = ( 0.2416657 0.2416657 -0.2416657), wk = 0.0029851 k( 161) = ( 0.2483786 0.2483786 -0.2483786), wk = 0.0029851 k( 162) = ( 0.2550916 0.2550916 -0.2550916), wk = 0.0029851 k( 163) = ( 0.2618045 0.2618045 -0.2618045), wk = 0.0029851 k( 164) = ( 0.2685174 0.2685175 -0.2685174), wk = 0.0029851 k( 165) = ( 0.2752304 0.2752304 -0.2752304), wk = 0.0029851 k( 166) = ( 0.2819433 0.2819433 -0.2819433), wk = 0.0029851 k( 167) = ( 0.2886563 0.2886563 -0.2886563), wk = 0.0029851 k( 168) = ( 0.2953692 0.2953692 -0.2953692), wk = 0.0029851 k( 169) = ( 0.3020821 0.3020821 -0.3020821), wk = 0.0029851 k( 170) = ( 0.3087951 0.3087951 -0.3087951), wk = 0.0029851 k( 171) = ( 0.3155080 0.3155080 -0.3155080), wk = 0.0029851 k( 172) = ( 0.3222209 0.3222209 -0.3222209), wk = 0.0029851 k( 173) = ( 0.3289339 0.3289339 -0.3289339), wk = 0.0029851 k( 174) = ( 0.3356468 0.3356468 -0.3356468), wk = 0.0029851 k( 175) = ( 0.3423598 0.3423597 -0.3423598), wk = 0.0029851 k( 176) = ( 0.3490727 0.3490727 -0.3490727), wk = 0.0029851 k( 177) = ( 0.3557856 0.3557856 -0.3557856), wk = 0.0029851 k( 178) = ( 0.3624986 0.3624986 -0.3624986), wk = 0.0029851 k( 179) = ( 0.3624986 0.3624986 -0.3624986), wk = 0.0029851 k( 180) = ( 0.3596140 0.3596140 -0.3467935), wk = 0.0029851 k( 181) = ( 0.3567294 0.3567294 -0.3310884), wk = 0.0029851 k( 182) = ( 0.3538448 0.3538448 -0.3153833), wk = 0.0029851 k( 183) = ( 0.3509602 0.3509602 -0.2996782), wk = 0.0029851 k( 184) = ( 0.3480757 0.3480757 -0.2839731), wk = 0.0029851 k( 185) = ( 0.3451911 0.3451911 -0.2682680), wk = 0.0029851 k( 186) = ( 0.3423065 0.3423065 -0.2525629), wk = 0.0029851 k( 187) = ( 0.3394219 0.3394219 -0.2368578), wk = 0.0029851 k( 188) = ( 0.3365374 0.3365374 -0.2211527), wk = 0.0029851 k( 189) = ( 0.3336528 0.3336528 -0.2054476), wk = 0.0029851 k( 190) = ( 0.3307682 0.3307682 -0.1897425), wk = 0.0029851 k( 191) = ( 0.3278836 0.3278836 -0.1740375), wk = 0.0029851 k( 192) = ( 0.3249990 0.3249990 -0.1583324), wk = 0.0029851 k( 193) = ( 0.3221145 0.3221145 -0.1426273), wk = 0.0029851 k( 194) = ( 0.3192299 0.3192299 -0.1269222), wk = 0.0029851 k( 195) = ( 0.3163453 0.3163453 -0.1112171), wk = 0.0029851 k( 196) = ( 0.3134607 0.3134607 -0.0955120), wk = 0.0029851 k( 197) = ( 0.3105761 0.3105761 -0.0798069), wk = 0.0029851 k( 198) = ( 0.3076916 0.3076916 -0.0641018), wk = 0.0029851 k( 199) = ( 0.3048070 0.3048070 -0.0483967), wk = 0.0029851 k( 200) = ( 0.3019224 0.3019224 -0.0326916), wk = 0.0029851 k( 201) = ( 0.2990378 0.2990378 -0.0169865), wk = 0.0029851 k( 202) = ( 0.2961532 0.2961532 -0.0012815), wk = 0.0029851 k( 203) = ( 0.2932687 0.2932687 0.0144236), wk = 0.0029851 k( 204) = ( 0.2903841 0.2903841 0.0301287), wk = 0.0029851 k( 205) = ( 0.2874995 0.2874995 0.0458338), wk = 0.0029851 k( 206) = ( 0.2846149 0.2846149 0.0615389), wk = 0.0029851 k( 207) = ( 0.2817304 0.2817304 0.0772440), wk = 0.0029851 k( 208) = ( 0.2788458 0.2788458 0.0929491), wk = 0.0029851 k( 209) = ( 0.2759612 0.2759612 0.1086542), wk = 0.0029851 k( 210) = ( 0.2730766 0.2730766 0.1243593), wk = 0.0029851 k( 211) = ( 0.2701921 0.2701921 0.1400644), wk = 0.0029851 k( 212) = ( 0.2673075 0.2673075 0.1557694), wk = 0.0029851 k( 213) = ( 0.2644229 0.2644229 0.1714745), wk = 0.0029851 k( 214) = ( 0.2615383 0.2615383 0.1871796), wk = 0.0029851 k( 215) = ( 0.2586537 0.2586537 0.2028847), wk = 0.0029851 k( 216) = ( 0.2557692 0.2557692 0.2185898), wk = 0.0029851 k( 217) = ( 0.2528846 0.2528846 0.2342949), wk = 0.0029851 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 220) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0029851 k( 221) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0029851 k( 222) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0029851 k( 223) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0029851 k( 224) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0029851 k( 225) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0029851 k( 226) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0029851 k( 227) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0029851 k( 228) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0029851 k( 229) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0029851 k( 230) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0029851 k( 231) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0029851 k( 232) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0029851 k( 233) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0029851 k( 234) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0029851 k( 235) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0029851 k( 236) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0029851 k( 237) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0029851 k( 238) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0029851 k( 239) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0029851 k( 240) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0029851 k( 241) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0029851 k( 242) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0029851 k( 243) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0029851 k( 244) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 245) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 246) = ( -0.0120833 0.5045834 0.0120833), wk = 0.0029851 k( 247) = ( -0.0241666 0.5091668 0.0241666), wk = 0.0029851 k( 248) = ( -0.0362499 0.5137501 0.0362499), wk = 0.0029851 k( 249) = ( -0.0483331 0.5183335 0.0483331), wk = 0.0029851 k( 250) = ( -0.0604164 0.5229169 0.0604164), wk = 0.0029851 k( 251) = ( -0.0724997 0.5275003 0.0724997), wk = 0.0029851 k( 252) = ( -0.0845830 0.5320837 0.0845830), wk = 0.0029851 k( 253) = ( -0.0966663 0.5366671 0.0966663), wk = 0.0029851 k( 254) = ( -0.1087496 0.5412504 0.1087496), wk = 0.0029851 k( 255) = ( -0.1208329 0.5458338 0.1208328), wk = 0.0029851 k( 256) = ( -0.1329161 0.5504172 0.1329161), wk = 0.0029851 k( 257) = ( -0.1449994 0.5550006 0.1449994), wk = 0.0029851 k( 258) = ( -0.1570827 0.5595840 0.1570827), wk = 0.0029851 k( 259) = ( -0.1691660 0.5641673 0.1691660), wk = 0.0029851 k( 260) = ( -0.1812493 0.5687507 0.1812493), wk = 0.0029851 k( 261) = ( -0.1933326 0.5733341 0.1933326), wk = 0.0029851 k( 262) = ( -0.2054159 0.5779175 0.2054158), wk = 0.0029851 k( 263) = ( -0.2174991 0.5825009 0.2174991), wk = 0.0029851 k( 264) = ( -0.2295824 0.5870842 0.2295824), wk = 0.0029851 k( 265) = ( -0.2416657 0.5916676 0.2416657), wk = 0.0029851 k( 266) = ( -0.2537490 0.5962510 0.2537490), wk = 0.0029851 k( 267) = ( -0.2658323 0.6008344 0.2658323), wk = 0.0029851 k( 268) = ( -0.2779156 0.6054178 0.2779156), wk = 0.0029851 k( 269) = ( -0.2899988 0.6100011 0.2899988), wk = 0.0029851 k( 270) = ( -0.3020821 0.6145845 0.3020821), wk = 0.0029851 k( 271) = ( -0.3141654 0.6191679 0.3141654), wk = 0.0029851 k( 272) = ( -0.3262487 0.6237513 0.3262487), wk = 0.0029851 k( 273) = ( -0.3383320 0.6283347 0.3383320), wk = 0.0029851 k( 274) = ( -0.3504153 0.6329181 0.3504153), wk = 0.0029851 k( 275) = ( -0.3624986 0.6375014 0.3624986), wk = 0.0029851 k( 276) = ( -0.3624986 0.6375014 0.3624986), wk = 0.0029851 k( 277) = ( -0.3690463 0.6309537 0.3690462), wk = 0.0029851 k( 278) = ( -0.3755939 0.6244061 0.3755939), wk = 0.0029851 k( 279) = ( -0.3821416 0.6178584 0.3821416), wk = 0.0029851 k( 280) = ( -0.3886893 0.6113107 0.3886893), wk = 0.0029851 k( 281) = ( -0.3952370 0.6047630 0.3952370), wk = 0.0029851 k( 282) = ( -0.4017847 0.5982153 0.4017847), wk = 0.0029851 k( 283) = ( -0.4083324 0.5916676 0.4083324), wk = 0.0029851 k( 284) = ( -0.4148801 0.5851199 0.4148801), wk = 0.0029851 k( 285) = ( -0.4214277 0.5785722 0.4214277), wk = 0.0029851 k( 286) = ( -0.4279754 0.5720246 0.4279754), wk = 0.0029851 k( 287) = ( -0.4345231 0.5654769 0.4345231), wk = 0.0029851 k( 288) = ( -0.4410708 0.5589292 0.4410708), wk = 0.0029851 k( 289) = ( -0.4476185 0.5523815 0.4476185), wk = 0.0029851 k( 290) = ( -0.4541662 0.5458338 0.4541662), wk = 0.0029851 k( 291) = ( -0.4607139 0.5392861 0.4607139), wk = 0.0029851 k( 292) = ( -0.4672616 0.5327384 0.4672616), wk = 0.0029851 k( 293) = ( -0.4738093 0.5261907 0.4738093), wk = 0.0029851 k( 294) = ( -0.4803569 0.5196431 0.4803569), wk = 0.0029851 k( 295) = ( -0.4869046 0.5130954 0.4869046), wk = 0.0029851 k( 296) = ( -0.4934523 0.5065477 0.4934523), wk = 0.0029851 k( 297) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 298) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 299) = ( 0.0067568 0.0067568 0.4932432), wk = 0.0029851 k( 300) = ( 0.0135135 0.0135135 0.4864865), wk = 0.0029851 k( 301) = ( 0.0202703 0.0202703 0.4797297), wk = 0.0029851 k( 302) = ( 0.0270270 0.0270270 0.4729730), wk = 0.0029851 k( 303) = ( 0.0337838 0.0337838 0.4662162), wk = 0.0029851 k( 304) = ( 0.0405405 0.0405405 0.4594595), wk = 0.0029851 k( 305) = ( 0.0472973 0.0472973 0.4527027), wk = 0.0029851 k( 306) = ( 0.0540540 0.0540540 0.4459459), wk = 0.0029851 k( 307) = ( 0.0608108 0.0608108 0.4391892), wk = 0.0029851 k( 308) = ( 0.0675676 0.0675676 0.4324324), wk = 0.0029851 k( 309) = ( 0.0743243 0.0743243 0.4256757), wk = 0.0029851 k( 310) = ( 0.0810811 0.0810811 0.4189189), wk = 0.0029851 k( 311) = ( 0.0878378 0.0878378 0.4121622), wk = 0.0029851 k( 312) = ( 0.0945946 0.0945946 0.4054054), wk = 0.0029851 k( 313) = ( 0.1013514 0.1013513 0.3986486), wk = 0.0029851 k( 314) = ( 0.1081081 0.1081081 0.3918919), wk = 0.0029851 k( 315) = ( 0.1148649 0.1148649 0.3851351), wk = 0.0029851 k( 316) = ( 0.1216216 0.1216216 0.3783784), wk = 0.0029851 k( 317) = ( 0.1283784 0.1283784 0.3716216), wk = 0.0029851 k( 318) = ( 0.1351351 0.1351351 0.3648649), wk = 0.0029851 k( 319) = ( 0.1418919 0.1418919 0.3581081), wk = 0.0029851 k( 320) = ( 0.1486486 0.1486486 0.3513513), wk = 0.0029851 k( 321) = ( 0.1554054 0.1554054 0.3445946), wk = 0.0029851 k( 322) = ( 0.1621622 0.1621622 0.3378378), wk = 0.0029851 k( 323) = ( 0.1689189 0.1689189 0.3310811), wk = 0.0029851 k( 324) = ( 0.1756757 0.1756757 0.3243243), wk = 0.0029851 k( 325) = ( 0.1824324 0.1824324 0.3175676), wk = 0.0029851 k( 326) = ( 0.1891892 0.1891892 0.3108108), wk = 0.0029851 k( 327) = ( 0.1959460 0.1959460 0.3040541), wk = 0.0029851 k( 328) = ( 0.2027027 0.2027027 0.2972973), wk = 0.0029851 k( 329) = ( 0.2094595 0.2094595 0.2905405), wk = 0.0029851 k( 330) = ( 0.2162162 0.2162162 0.2837838), wk = 0.0029851 k( 331) = ( 0.2229730 0.2229730 0.2770270), wk = 0.0029851 k( 332) = ( 0.2297297 0.2297297 0.2702703), wk = 0.0029851 k( 333) = ( 0.2364865 0.2364865 0.2635135), wk = 0.0029851 k( 334) = ( 0.2432432 0.2432432 0.2567568), wk = 0.0029851 k( 335) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 Dense grid: 83243 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 444, 48) NL pseudopotentials 0.43 Mb ( 222, 126) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1734) G-vector shells 0.01 Mb ( 793) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 444, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 126, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Li4CO4.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 49.6 secs Computing kpt #: 4 total cpu time spent up to now is 53.4 secs Computing kpt #: 5 total cpu time spent up to now is 57.2 secs Computing kpt #: 6 total cpu time spent up to now is 61.3 secs Computing kpt #: 7 total cpu time spent up to now is 65.0 secs Computing kpt #: 8 total cpu time spent up to now is 68.8 secs Computing kpt #: 9 total cpu time spent up to now is 73.3 secs Computing kpt #: 10 total cpu time spent up to now is 77.2 secs Computing kpt #: 11 total cpu time spent up to now is 81.2 secs Computing kpt #: 12 total cpu time spent up to now is 86.1 secs Computing kpt #: 13 total cpu time spent up to now is 90.3 secs Computing kpt #: 14 total cpu time spent up to now is 94.2 secs Computing kpt #: 15 total cpu time spent up to now is 98.6 secs Computing kpt #: 16 total cpu time spent up to now is 102.7 secs Computing kpt #: 17 total cpu time spent up to now is 107.1 secs Computing kpt #: 18 total cpu time spent up to now is 111.1 secs Computing kpt #: 19 total cpu time spent up to now is 115.0 secs Computing kpt #: 20 total cpu time spent up to now is 118.8 secs Computing kpt #: 21 total cpu time spent up to now is 122.7 secs Computing kpt #: 22 total cpu time spent up to now is 126.4 secs Computing kpt #: 23 total cpu time spent up to now is 130.3 secs Computing kpt #: 24 total cpu time spent up to now is 134.1 secs Computing kpt #: 25 total cpu time spent up to now is 137.9 secs Computing kpt #: 26 total cpu time spent up to now is 141.7 secs Computing kpt #: 27 total cpu time spent up to now is 145.5 secs Computing kpt #: 28 total cpu time spent up to now is 149.3 secs Computing kpt #: 29 total cpu time spent up to now is 153.0 secs Computing kpt #: 30 total cpu time spent up to now is 156.8 secs Computing kpt #: 31 total cpu time spent up to now is 160.5 secs Computing kpt #: 32 total cpu time spent up to now is 164.3 secs Computing kpt #: 33 total cpu time spent up to now is 168.1 secs Computing kpt #: 34 total cpu time spent up to now is 172.5 secs Computing kpt #: 35 total cpu time spent up to now is 176.3 secs Computing kpt #: 36 total cpu time spent up to now is 180.2 secs Computing kpt #: 37 total cpu time spent up to now is 184.1 secs Computing kpt #: 38 total cpu time spent up to now is 188.4 secs Computing kpt #: 39 total cpu time spent up to now is 192.9 secs Computing kpt #: 40 total cpu time spent up to now is 197.1 secs Computing kpt #: 41 total cpu time spent up to now is 201.2 secs Computing kpt #: 42 total cpu time spent up to now is 205.1 secs Computing kpt #: 43 total cpu time spent up to now is 209.0 secs Computing kpt #: 44 total cpu time spent up to now is 212.8 secs Computing kpt #: 45 total cpu time spent up to now is 216.6 secs Computing kpt #: 46 total cpu time spent up to now is 220.4 secs Computing kpt #: 47 total cpu time spent up to now is 223.9 secs Computing kpt #: 48 total cpu time spent up to now is 227.4 secs Computing kpt #: 49 total cpu time spent up to now is 231.1 secs Computing kpt #: 50 total cpu time spent up to now is 234.9 secs Computing kpt #: 51 total cpu time spent up to now is 238.5 secs Computing kpt #: 52 total cpu time spent up to now is 241.9 secs Computing kpt #: 53 total cpu time spent up to now is 245.5 secs Computing kpt #: 54 total cpu time spent up to now is 249.1 secs Computing kpt #: 55 total cpu time spent up to now is 252.9 secs Computing kpt #: 56 total cpu time spent up to now is 256.3 secs Computing kpt #: 57 total cpu time spent up to now is 259.8 secs Computing kpt #: 58 total cpu time spent up to now is 263.3 secs Computing kpt #: 59 total cpu time spent up to now is 266.8 secs Computing kpt #: 60 total cpu time spent up to now is 270.4 secs Computing kpt #: 61 total cpu time spent up to now is 274.1 secs Computing kpt #: 62 total cpu time spent up to now is 277.7 secs Computing kpt #: 63 total cpu time spent up to now is 281.1 secs Computing kpt #: 64 total cpu time spent up to now is 284.7 secs Computing kpt #: 65 total cpu time spent up to now is 288.1 secs Computing kpt #: 66 total cpu time spent up to now is 291.6 secs Computing kpt #: 67 total cpu time spent up to now is 295.1 secs Computing kpt #: 68 total cpu time spent up to now is 298.7 secs Computing kpt #: 69 total cpu time spent up to now is 302.5 secs Computing kpt #: 70 total cpu time spent up to now is 306.3 secs Computing kpt #: 71 total cpu time spent up to now is 310.0 secs Computing kpt #: 72 total cpu time spent up to now is 313.7 secs Computing kpt #: 73 total cpu time spent up to now is 317.5 secs Computing kpt #: 74 total cpu time spent up to now is 321.0 secs Computing kpt #: 75 total cpu time spent up to now is 325.0 secs Computing kpt #: 76 total cpu time spent up to now is 328.8 secs Computing kpt #: 77 total cpu time spent up to now is 332.5 secs Computing kpt #: 78 total cpu time spent up to now is 336.2 secs Computing kpt #: 79 total cpu time spent up to now is 340.0 secs Computing kpt #: 80 total cpu time spent up to now is 343.7 secs Computing kpt #: 81 total cpu time spent up to now is 347.5 secs Computing kpt #: 82 total cpu time spent up to now is 351.3 secs Computing kpt #: 83 total cpu time spent up to now is 355.2 secs Computing kpt #: 84 total cpu time spent up to now is 359.0 secs Computing kpt #: 85 total cpu time spent up to now is 362.8 secs Computing kpt #: 86 total cpu time spent up to now is 366.6 secs Computing kpt #: 87 total cpu time spent up to now is 370.3 secs Computing kpt #: 88 total cpu time spent up to now is 373.8 secs Computing kpt #: 89 total cpu time spent up to now is 377.2 secs Computing kpt #: 90 total cpu time spent up to now is 381.0 secs Computing kpt #: 91 total cpu time spent up to now is 384.9 secs Computing kpt #: 92 total cpu time spent up to now is 389.1 secs Computing kpt #: 93 total cpu time spent up to now is 392.6 secs Computing kpt #: 94 total cpu time spent up to now is 396.1 secs Computing kpt #: 95 total cpu time spent up to now is 399.6 secs Computing kpt #: 96 total cpu time spent up to now is 403.1 secs Computing kpt #: 97 total cpu time spent up to now is 406.6 secs Computing kpt #: 98 total cpu time spent up to now is 410.3 secs Computing kpt #: 99 total cpu time spent up to now is 413.8 secs Computing kpt #: 100 total cpu time spent up to now is 417.3 secs Computing kpt #: 101 total cpu time spent up to now is 420.9 secs Computing kpt #: 102 total cpu time spent up to now is 424.3 secs Computing kpt #: 103 total cpu time spent up to now is 427.8 secs Computing kpt #: 104 total cpu time spent up to now is 431.3 secs Computing kpt #: 105 total cpu time spent up to now is 434.8 secs Computing kpt #: 106 total cpu time spent up to now is 438.5 secs Computing kpt #: 107 total cpu time spent up to now is 442.0 secs Computing kpt #: 108 total cpu time spent up to now is 445.8 secs Computing kpt #: 109 total cpu time spent up to now is 449.5 secs Computing kpt #: 110 total cpu time spent up to now is 453.2 secs Computing kpt #: 111 total cpu time spent up to now is 457.1 secs Computing kpt #: 112 total cpu time spent up to now is 460.9 secs Computing kpt #: 113 total cpu time spent up to now is 464.7 secs Computing kpt #: 114 total cpu time spent up to now is 468.5 secs Computing kpt #: 115 total cpu time spent up to now is 472.3 secs Computing kpt #: 116 total cpu time spent up to now is 476.0 secs Computing kpt #: 117 total cpu time spent up to now is 479.8 secs Computing kpt #: 118 total cpu time spent up to now is 483.5 secs Computing kpt #: 119 total cpu time spent up to now is 487.5 secs Computing kpt #: 120 total cpu time spent up to now is 491.3 secs Computing kpt #: 121 total cpu time spent up to now is 495.0 secs Computing kpt #: 122 total cpu time spent up to now is 498.8 secs Computing kpt #: 123 total cpu time spent up to now is 502.6 secs Computing kpt #: 124 total cpu time spent up to now is 506.3 secs Computing kpt #: 125 total cpu time spent up to now is 510.2 secs Computing kpt #: 126 total cpu time spent up to now is 514.0 secs Computing kpt #: 127 total cpu time spent up to now is 517.8 secs Computing kpt #: 128 total cpu time spent up to now is 521.7 secs Computing kpt #: 129 total cpu time spent up to now is 525.4 secs Computing kpt #: 130 total cpu time spent up to now is 529.2 secs Computing kpt #: 131 total cpu time spent up to now is 533.0 secs Computing kpt #: 132 total cpu time spent up to now is 536.7 secs Computing kpt #: 133 total cpu time spent up to now is 540.4 secs Computing kpt #: 134 total cpu time spent up to now is 543.9 secs Computing kpt #: 135 total cpu time spent up to now is 547.3 secs Computing kpt #: 136 total cpu time spent up to now is 550.8 secs Computing kpt #: 137 total cpu time spent up to now is 554.5 secs Computing kpt #: 138 total cpu time spent up to now is 557.8 secs Computing kpt #: 139 total cpu time spent up to now is 561.2 secs Computing kpt #: 140 total cpu time spent up to now is 564.7 secs Computing kpt #: 141 total cpu time spent up to now is 568.0 secs Computing kpt #: 142 total cpu time spent up to now is 571.3 secs Computing kpt #: 143 total cpu time spent up to now is 574.6 secs Computing kpt #: 144 total cpu time spent up to now is 578.0 secs Computing kpt #: 145 total cpu time spent up to now is 581.2 secs Computing kpt #: 146 total cpu time spent up to now is 584.4 secs Computing kpt #: 147 total cpu time spent up to now is 587.6 secs Computing kpt #: 148 total cpu time spent up to now is 590.9 secs Computing kpt #: 149 total cpu time spent up to now is 594.1 secs Computing kpt #: 150 total cpu time spent up to now is 597.3 secs Computing kpt #: 151 total cpu time spent up to now is 600.4 secs Computing kpt #: 152 total cpu time spent up to now is 603.6 secs Computing kpt #: 153 total cpu time spent up to now is 606.7 secs Computing kpt #: 154 total cpu time spent up to now is 609.8 secs Computing kpt #: 155 total cpu time spent up to now is 612.9 secs Computing kpt #: 156 total cpu time spent up to now is 616.0 secs Computing kpt #: 157 total cpu time spent up to now is 619.1 secs Computing kpt #: 158 total cpu time spent up to now is 622.2 secs Computing kpt #: 159 total cpu time spent up to now is 625.4 secs Computing kpt #: 160 total cpu time spent up to now is 628.6 secs Computing kpt #: 161 total cpu time spent up to now is 631.6 secs Computing kpt #: 162 total cpu time spent up to now is 634.7 secs Computing kpt #: 163 total cpu time spent up to now is 637.9 secs Computing kpt #: 164 total cpu time spent up to now is 641.1 secs Computing kpt #: 165 total cpu time spent up to now is 644.2 secs Computing kpt #: 166 total cpu time spent up to now is 647.4 secs Computing kpt #: 167 total cpu time spent up to now is 650.6 secs Computing kpt #: 168 total cpu time spent up to now is 654.0 secs Computing kpt #: 169 total cpu time spent up to now is 657.2 secs Computing kpt #: 170 total cpu time spent up to now is 660.5 secs Computing kpt #: 171 total cpu time spent up to now is 663.8 secs Computing kpt #: 172 total cpu time spent up to now is 667.0 secs Computing kpt #: 173 total cpu time spent up to now is 670.3 secs Computing kpt #: 174 total cpu time spent up to now is 673.6 secs Computing kpt #: 175 total cpu time spent up to now is 676.8 secs Computing kpt #: 176 total cpu time spent up to now is 680.2 secs Computing kpt #: 177 total cpu time spent up to now is 683.5 secs Computing kpt #: 178 total cpu time spent up to now is 689.0 secs Computing kpt #: 179 total cpu time spent up to now is 692.9 secs Computing kpt #: 180 total cpu time spent up to now is 696.3 secs Computing kpt #: 181 total cpu time spent up to now is 699.7 secs Computing kpt #: 182 total cpu time spent up to now is 703.1 secs Computing kpt #: 183 total cpu time spent up to now is 706.6 secs Computing kpt #: 184 total cpu time spent up to now is 710.2 secs Computing kpt #: 185 total cpu time spent up to now is 713.6 secs Computing kpt #: 186 total cpu time spent up to now is 717.2 secs Computing kpt #: 187 total cpu time spent up to now is 720.7 secs Computing kpt #: 188 total cpu time spent up to now is 724.3 secs Computing kpt #: 189 total cpu time spent up to now is 727.7 secs Computing kpt #: 190 total cpu time spent up to now is 731.5 secs Computing kpt #: 191 total cpu time spent up to now is 735.2 secs Computing kpt #: 192 total cpu time spent up to now is 738.9 secs Computing kpt #: 193 total cpu time spent up to now is 742.7 secs Computing kpt #: 194 total cpu time spent up to now is 746.4 secs Computing kpt #: 195 total cpu time spent up to now is 750.2 secs Computing kpt #: 196 total cpu time spent up to now is 754.0 secs Computing kpt #: 197 total cpu time spent up to now is 757.7 secs Computing kpt #: 198 total cpu time spent up to now is 761.6 secs Computing kpt #: 199 total cpu time spent up to now is 765.6 secs Computing kpt #: 200 total cpu time spent up to now is 769.6 secs Computing kpt #: 201 total cpu time spent up to now is 774.0 secs Computing kpt #: 202 total cpu time spent up to now is 778.0 secs Computing kpt #: 203 total cpu time spent up to now is 781.7 secs Computing kpt #: 204 total cpu time spent up to now is 785.4 secs Computing kpt #: 205 total cpu time spent up to now is 789.4 secs Computing kpt #: 206 total cpu time spent up to now is 793.1 secs Computing kpt #: 207 total cpu time spent up to now is 796.5 secs Computing kpt #: 208 total cpu time spent up to now is 800.0 secs Computing kpt #: 209 total cpu time spent up to now is 803.4 secs Computing kpt #: 210 total cpu time spent up to now is 806.8 secs Computing kpt #: 211 total cpu time spent up to now is 810.3 secs Computing kpt #: 212 total cpu time spent up to now is 813.6 secs Computing kpt #: 213 total cpu time spent up to now is 817.0 secs Computing kpt #: 214 total cpu time spent up to now is 820.3 secs Computing kpt #: 215 total cpu time spent up to now is 823.7 secs Computing kpt #: 216 total cpu time spent up to now is 827.0 secs Computing kpt #: 217 total cpu time spent up to now is 830.2 secs Computing kpt #: 218 total cpu time spent up to now is 833.4 secs Computing kpt #: 219 total cpu time spent up to now is 836.6 secs Computing kpt #: 220 total cpu time spent up to now is 839.8 secs Computing kpt #: 221 total cpu time spent up to now is 843.1 secs Computing kpt #: 222 total cpu time spent up to now is 846.4 secs Computing kpt #: 223 total cpu time spent up to now is 849.8 secs Computing kpt #: 224 total cpu time spent up to now is 853.3 secs Computing kpt #: 225 total cpu time spent up to now is 856.6 secs Computing kpt #: 226 total cpu time spent up to now is 859.9 secs Computing kpt #: 227 total cpu time spent up to now is 863.3 secs Computing kpt #: 228 total cpu time spent up to now is 866.7 secs Computing kpt #: 229 total cpu time spent up to now is 870.0 secs Computing kpt #: 230 total cpu time spent up to now is 873.3 secs Computing kpt #: 231 total cpu time spent up to now is 876.8 secs Computing kpt #: 232 total cpu time spent up to now is 880.2 secs Computing kpt #: 233 total cpu time spent up to now is 883.6 secs Computing kpt #: 234 total cpu time spent up to now is 887.3 secs Computing kpt #: 235 total cpu time spent up to now is 891.0 secs Computing kpt #: 236 total cpu time spent up to now is 894.7 secs Computing kpt #: 237 total cpu time spent up to now is 898.4 secs Computing kpt #: 238 total cpu time spent up to now is 902.1 secs Computing kpt #: 239 total cpu time spent up to now is 905.9 secs Computing kpt #: 240 total cpu time spent up to now is 909.7 secs Computing kpt #: 241 total cpu time spent up to now is 913.6 secs Computing kpt #: 242 total cpu time spent up to now is 917.3 secs Computing kpt #: 243 total cpu time spent up to now is 921.0 secs Computing kpt #: 244 total cpu time spent up to now is 924.8 secs Computing kpt #: 245 total cpu time spent up to now is 928.6 secs Computing kpt #: 246 total cpu time spent up to now is 932.7 secs Computing kpt #: 247 total cpu time spent up to now is 937.1 secs Computing kpt #: 248 total cpu time spent up to now is 941.5 secs Computing kpt #: 249 total cpu time spent up to now is 945.8 secs Computing kpt #: 250 total cpu time spent up to now is 950.0 secs Computing kpt #: 251 total cpu time spent up to now is 954.0 secs Computing kpt #: 252 total cpu time spent up to now is 958.4 secs Computing kpt #: 253 total cpu time spent up to now is 963.0 secs Computing kpt #: 254 total cpu time spent up to now is 966.9 secs Computing kpt #: 255 total cpu time spent up to now is 971.0 secs Computing kpt #: 256 total cpu time spent up to now is 974.7 secs Computing kpt #: 257 total cpu time spent up to now is 978.8 secs Computing kpt #: 258 total cpu time spent up to now is 982.7 secs Computing kpt #: 259 total cpu time spent up to now is 988.9 secs Computing kpt #: 260 total cpu time spent up to now is 993.1 secs Computing kpt #: 261 total cpu time spent up to now is 997.0 secs Computing kpt #: 262 total cpu time spent up to now is 1000.9 secs Computing kpt #: 263 total cpu time spent up to now is 1004.7 secs Computing kpt #: 264 total cpu time spent up to now is 1008.4 secs Computing kpt #: 265 total cpu time spent up to now is 1012.3 secs Computing kpt #: 266 total cpu time spent up to now is 1016.0 secs Computing kpt #: 267 total cpu time spent up to now is 1019.8 secs Computing kpt #: 268 total cpu time spent up to now is 1023.3 secs Computing kpt #: 269 total cpu time spent up to now is 1026.8 secs Computing kpt #: 270 total cpu time spent up to now is 1030.4 secs Computing kpt #: 271 total cpu time spent up to now is 1033.8 secs Computing kpt #: 272 total cpu time spent up to now is 1037.2 secs Computing kpt #: 273 total cpu time spent up to now is 1040.7 secs Computing kpt #: 274 total cpu time spent up to now is 1044.1 secs Computing kpt #: 275 total cpu time spent up to now is 1047.4 secs Computing kpt #: 276 total cpu time spent up to now is 1050.8 secs Computing kpt #: 277 total cpu time spent up to now is 1054.2 secs Computing kpt #: 278 total cpu time spent up to now is 1057.4 secs Computing kpt #: 279 total cpu time spent up to now is 1060.7 secs Computing kpt #: 280 total cpu time spent up to now is 1064.1 secs Computing kpt #: 281 total cpu time spent up to now is 1067.5 secs Computing kpt #: 282 total cpu time spent up to now is 1070.9 secs Computing kpt #: 283 total cpu time spent up to now is 1074.4 secs Computing kpt #: 284 total cpu time spent up to now is 1077.8 secs Computing kpt #: 285 total cpu time spent up to now is 1081.2 secs Computing kpt #: 286 total cpu time spent up to now is 1084.6 secs Computing kpt #: 287 total cpu time spent up to now is 1088.0 secs Computing kpt #: 288 total cpu time spent up to now is 1091.5 secs Computing kpt #: 289 total cpu time spent up to now is 1094.9 secs Computing kpt #: 290 total cpu time spent up to now is 1098.3 secs Computing kpt #: 291 total cpu time spent up to now is 1101.8 secs Computing kpt #: 292 total cpu time spent up to now is 1105.2 secs Computing kpt #: 293 total cpu time spent up to now is 1108.6 secs Computing kpt #: 294 total cpu time spent up to now is 1112.3 secs Computing kpt #: 295 total cpu time spent up to now is 1115.7 secs Computing kpt #: 296 total cpu time spent up to now is 1119.2 secs Computing kpt #: 297 total cpu time spent up to now is 1122.9 secs Computing kpt #: 298 total cpu time spent up to now is 1126.9 secs Computing kpt #: 299 total cpu time spent up to now is 1130.8 secs Computing kpt #: 300 total cpu time spent up to now is 1134.9 secs Computing kpt #: 301 total cpu time spent up to now is 1138.9 secs Computing kpt #: 302 total cpu time spent up to now is 1142.5 secs Computing kpt #: 303 total cpu time spent up to now is 1146.3 secs Computing kpt #: 304 total cpu time spent up to now is 1150.0 secs Computing kpt #: 305 total cpu time spent up to now is 1153.8 secs Computing kpt #: 306 total cpu time spent up to now is 1157.4 secs Computing kpt #: 307 total cpu time spent up to now is 1161.1 secs Computing kpt #: 308 total cpu time spent up to now is 1164.7 secs Computing kpt #: 309 total cpu time spent up to now is 1168.4 secs Computing kpt #: 310 total cpu time spent up to now is 1171.7 secs Computing kpt #: 311 total cpu time spent up to now is 1175.3 secs Computing kpt #: 312 total cpu time spent up to now is 1179.0 secs Computing kpt #: 313 total cpu time spent up to now is 1182.7 secs Computing kpt #: 314 total cpu time spent up to now is 1186.4 secs Computing kpt #: 315 total cpu time spent up to now is 1190.3 secs Computing kpt #: 316 total cpu time spent up to now is 1193.9 secs Computing kpt #: 317 total cpu time spent up to now is 1197.6 secs Computing kpt #: 318 total cpu time spent up to now is 1201.3 secs Computing kpt #: 319 total cpu time spent up to now is 1204.7 secs Computing kpt #: 320 total cpu time spent up to now is 1208.4 secs Computing kpt #: 321 total cpu time spent up to now is 1211.9 secs Computing kpt #: 322 total cpu time spent up to now is 1215.5 secs Computing kpt #: 323 total cpu time spent up to now is 1219.0 secs Computing kpt #: 324 total cpu time spent up to now is 1222.3 secs Computing kpt #: 325 total cpu time spent up to now is 1226.0 secs Computing kpt #: 326 total cpu time spent up to now is 1229.2 secs Computing kpt #: 327 total cpu time spent up to now is 1232.5 secs Computing kpt #: 328 total cpu time spent up to now is 1235.8 secs Computing kpt #: 329 total cpu time spent up to now is 1239.1 secs Computing kpt #: 330 total cpu time spent up to now is 1242.4 secs Computing kpt #: 331 total cpu time spent up to now is 1245.9 secs Computing kpt #: 332 total cpu time spent up to now is 1249.1 secs Computing kpt #: 333 total cpu time spent up to now is 1252.3 secs Computing kpt #: 334 total cpu time spent up to now is 1255.6 secs Computing kpt #: 335 total cpu time spent up to now is 1258.8 secs ethr = 2.50E-11, avg # of iterations = 42.5 total cpu time spent up to now is 1259.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10501 PWs) bands (ev): -40.8864 -40.8864 -40.8325 -40.8325 -40.8052 -40.8052 -40.8052 -40.8052 -19.1049 -19.1049 -15.3632 -15.3632 -14.9997 -14.9997 -14.9993 -14.9993 -5.8961 -5.8961 -3.7414 -3.7414 -3.5906 -3.5906 -3.5869 -3.5869 -1.1746 -1.1746 0.3190 0.3190 0.7675 0.7675 0.7834 0.7834 1.5188 1.5188 1.9302 1.9302 1.9372 1.9372 2.1425 2.1425 7.2111 7.2111 11.3790 11.3790 11.3818 11.3818 12.4454 12.4454 k = 0.0000 0.0000 0.0158 ( 10501 PWs) bands (ev): -40.8864 -40.8864 -40.8326 -40.8326 -40.8052 -40.8052 -40.8052 -40.8052 -19.1049 -19.1049 -15.3632 -15.3632 -14.9997 -14.9997 -14.9993 -14.9993 -5.8959 -5.8959 -3.7413 -3.7411 -3.5905 -3.5904 -3.5868 -3.5866 -1.1743 -1.1742 0.3172 0.3175 0.7675 0.7679 0.7837 0.7837 1.5174 1.5181 1.9300 1.9302 1.9368 1.9374 2.1428 2.1430 7.2127 7.2127 11.3782 11.3783 11.3816 11.3816 12.4468 12.4469 k = 0.0000 0.0000 0.0316 ( 10497 PWs) bands (ev): -40.8863 -40.8863 -40.8327 -40.8327 -40.8052 -40.8052 -40.8051 -40.8051 -19.1049 -19.1049 -15.3629 -15.3629 -15.0000 -15.0000 -14.9994 -14.9994 -5.8952 -5.8952 -3.7410 -3.7405 -3.5902 -3.5899 -3.5862 -3.5857 -1.1733 -1.1730 0.3120 0.3128 0.7670 0.7677 0.7853 0.7855 1.5141 1.5153 1.9292 1.9297 1.9361 1.9373 2.1438 2.1442 7.2175 7.2176 11.3743 11.3743 11.3824 11.3826 12.4510 12.4511 k = 0.0000 0.0000 0.0474 ( 10489 PWs) bands (ev): -40.8862 -40.8862 -40.8328 -40.8328 -40.8052 -40.8052 -40.8051 -40.8051 -19.1050 -19.1050 -15.3625 -15.3625 -15.0006 -15.0006 -14.9994 -14.9994 -5.8941 -5.8940 -3.7402 -3.7396 -3.5900 -3.5897 -3.5846 -3.5840 -1.1716 -1.1710 0.3039 0.3049 0.7646 0.7654 0.7897 0.7902 1.5087 1.5106 1.9277 1.9286 1.9357 1.9372 2.1454 2.1460 7.2256 7.2256 11.3672 11.3672 11.3845 11.3849 12.4576 12.4578 k = 0.0000 0.0000 0.0632 ( 10481 PWs) bands (ev): -40.8860 -40.8860 -40.8331 -40.8331 -40.8052 -40.8052 -40.8050 -40.8050 -19.1051 -19.1051 -15.3620 -15.3620 -15.0015 -15.0015 -14.9993 -14.9993 -5.8925 -5.8924 -3.7392 -3.7383 -3.5901 -3.5897 -3.5821 -3.5814 -1.1691 -1.1684 0.2930 0.2943 0.7597 0.7606 0.7969 0.7977 1.5015 1.5039 1.9252 1.9266 1.9355 1.9373 2.1478 2.1485 7.2367 7.2368 11.3572 11.3573 11.3877 11.3883 12.4660 12.4663 k = 0.0000 0.0000 0.0791 ( 10483 PWs) bands (ev): -40.8858 -40.8858 -40.8334 -40.8334 -40.8052 -40.8052 -40.8048 -40.8048 -19.1052 -19.1052 -15.3613 -15.3613 -15.0026 -15.0026 -14.9993 -14.9993 -5.8904 -5.8903 -3.7377 -3.7367 -3.5903 -3.5900 -3.5786 -3.5779 -1.1659 -1.1651 0.2797 0.2812 0.7527 0.7536 0.8064 0.8075 1.4924 1.4953 1.9218 1.9238 1.9358 1.9377 2.1508 2.1517 7.2509 7.2510 11.3445 11.3447 11.3920 11.3928 12.4754 12.4757 k = 0.0000 0.0000 0.0949 ( 10469 PWs) bands (ev): -40.8856 -40.8856 -40.8338 -40.8338 -40.8052 -40.8052 -40.8047 -40.8047 -19.1054 -19.1054 -15.3605 -15.3605 -15.0040 -15.0039 -14.9992 -14.9992 -5.8880 -5.8879 -3.7359 -3.7347 -3.5907 -3.5904 -3.5744 -3.5737 -1.1621 -1.1610 0.2644 0.2662 0.7439 0.7448 0.8176 0.8189 1.4816 1.4849 1.9175 1.9200 1.9364 1.9383 2.1545 2.1556 7.2680 7.2682 11.3294 11.3296 11.3976 11.3985 12.4848 12.4851 k = 0.0000 0.0000 0.1107 ( 10487 PWs) bands (ev): -40.8853 -40.8853 -40.8343 -40.8343 -40.8052 -40.8052 -40.8045 -40.8045 -19.1055 -19.1055 -15.3595 -15.3595 -15.0055 -15.0055 -14.9991 -14.9991 -5.8852 -5.8850 -3.7336 -3.7323 -3.5911 -3.5908 -3.5695 -3.5688 -1.1575 -1.1563 0.2476 0.2495 0.7333 0.7342 0.8299 0.8314 1.4693 1.4729 1.9124 1.9153 1.9372 1.9392 2.1588 2.1600 7.2879 7.2881 11.3119 11.3121 11.4044 11.4054 12.4930 12.4933 k = 0.0000 0.0000 0.1265 ( 10491 PWs) bands (ev): -40.8850 -40.8850 -40.8348 -40.8348 -40.8052 -40.8052 -40.8043 -40.8043 -19.1057 -19.1057 -15.3584 -15.3584 -15.0074 -15.0073 -14.9989 -14.9989 -5.8820 -5.8818 -3.7309 -3.7295 -3.5917 -3.5914 -3.5640 -3.5633 -1.1523 -1.1509 0.2294 0.2314 0.7211 0.7220 0.8431 0.8447 1.4556 1.4595 1.9066 1.9099 1.9382 1.9403 2.1637 2.1650 7.3104 7.3106 11.2923 11.2926 11.4126 11.4137 12.4991 12.4993 k = 0.0000 0.0000 0.1423 ( 10479 PWs) bands (ev): -40.8846 -40.8846 -40.8353 -40.8353 -40.8052 -40.8052 -40.8041 -40.8041 -19.1059 -19.1059 -15.3572 -15.3571 -15.0094 -15.0093 -14.9988 -14.9988 -5.8785 -5.8783 -3.7278 -3.7263 -3.5923 -3.5921 -3.5579 -3.5572 -1.1464 -1.1449 0.2103 0.2124 0.7073 0.7083 0.8568 0.8584 1.4406 1.4447 1.9001 1.9037 1.9394 1.9416 2.1692 2.1706 7.3354 7.3356 11.2709 11.2711 11.4222 11.4234 12.5020 12.5022 k = 0.0000 0.0000 0.1581 ( 10477 PWs) bands (ev): -40.8842 -40.8842 -40.8360 -40.8360 -40.8052 -40.8052 -40.8039 -40.8039 -19.1062 -19.1062 -15.3558 -15.3557 -15.0116 -15.0115 -14.9987 -14.9987 -5.8747 -5.8745 -3.7242 -3.7226 -3.5930 -3.5928 -3.5513 -3.5506 -1.1399 -1.1383 0.1905 0.1927 0.6921 0.6930 0.8707 0.8723 1.4246 1.4288 1.8930 1.8967 1.9408 1.9431 2.1751 2.1766 7.3626 7.3628 11.2477 11.2480 11.4333 11.4346 12.5014 12.5015 k = 0.0000 0.0000 0.1739 ( 10471 PWs) bands (ev): -40.8838 -40.8838 -40.8366 -40.8366 -40.8052 -40.8052 -40.8036 -40.8036 -19.1064 -19.1064 -15.3543 -15.3542 -15.0140 -15.0139 -14.9985 -14.9985 -5.8706 -5.8704 -3.7202 -3.7186 -3.5938 -3.5935 -3.5442 -3.5437 -1.1329 -1.1311 0.1703 0.1724 0.6755 0.6764 0.8846 0.8863 1.4078 1.4120 1.8853 1.8891 1.9423 1.9447 2.1816 2.1831 7.3919 7.3921 11.2231 11.2234 11.4460 11.4473 12.4971 12.4972 k = 0.0000 0.0000 0.1897 ( 10461 PWs) bands (ev): -40.8833 -40.8833 -40.8373 -40.8373 -40.8052 -40.8052 -40.8034 -40.8034 -19.1067 -19.1067 -15.3526 -15.3526 -15.0165 -15.0165 -14.9983 -14.9983 -5.8664 -5.8661 -3.7158 -3.7141 -3.5946 -3.5943 -3.5368 -3.5363 -1.1253 -1.1234 0.1497 0.1519 0.6575 0.6583 0.8985 0.9001 1.3903 1.3944 1.8770 1.8809 1.9440 1.9464 2.1884 2.1900 7.4230 7.4232 11.1973 11.1976 11.4603 11.4615 12.4893 12.4893 k = 0.0000 0.0000 0.2055 ( 10461 PWs) bands (ev): -40.8828 -40.8828 -40.8381 -40.8381 -40.8052 -40.8052 -40.8031 -40.8031 -19.1070 -19.1070 -15.3509 -15.3508 -15.0193 -15.0192 -14.9982 -14.9982 -5.8619 -5.8617 -3.7109 -3.7093 -3.5954 -3.5952 -3.5291 -3.5286 -1.1171 -1.1152 0.1291 0.1313 0.6383 0.6390 0.9120 0.9136 1.3724 1.3764 1.8682 1.8721 1.9458 1.9483 2.1957 2.1973 7.4556 7.4559 11.1706 11.1709 11.4761 11.4774 12.4782 12.4784 k = 0.0000 0.0000 0.2214 ( 10458 PWs) bands (ev): -40.8823 -40.8823 -40.8389 -40.8389 -40.8052 -40.8052 -40.8029 -40.8029 -19.1073 -19.1073 -15.3491 -15.3490 -15.0221 -15.0221 -14.9980 -14.9980 -5.8573 -5.8571 -3.7057 -3.7041 -3.5963 -3.5961 -3.5210 -3.5207 -1.1085 -1.1065 0.1086 0.1107 0.6179 0.6185 0.9252 0.9268 1.3543 1.3581 1.8589 1.8628 1.9478 1.9502 2.2032 2.2049 7.4897 7.4900 11.1430 11.1434 11.4935 11.4947 12.4645 12.4648 k = 0.0000 0.0000 0.2372 ( 10446 PWs) bands (ev): -40.8817 -40.8817 -40.8397 -40.8397 -40.8052 -40.8052 -40.8026 -40.8026 -19.1076 -19.1076 -15.3471 -15.3471 -15.0251 -15.0251 -14.9978 -14.9978 -5.8526 -5.8524 -3.7002 -3.6986 -3.5972 -3.5970 -3.5128 -3.5125 -1.0995 -1.0974 0.0883 0.0903 0.5965 0.5970 0.9379 0.9394 1.3361 1.3397 1.8492 1.8531 1.9498 1.9523 2.2111 2.2127 7.5248 7.5251 11.1150 11.1154 11.5124 11.5136 12.4487 12.4491 k = 0.0000 0.0000 0.2530 ( 10446 PWs) bands (ev): -40.8811 -40.8811 -40.8405 -40.8405 -40.8052 -40.8052 -40.8024 -40.8024 -19.1079 -19.1079 -15.3451 -15.3450 -15.0282 -15.0281 -14.9976 -14.9976 -5.8479 -5.8476 -3.6944 -3.6929 -3.5981 -3.5979 -3.5043 -3.5041 -1.0901 -1.0880 0.0683 0.0703 0.5741 0.5745 0.9501 0.9515 1.3181 1.3214 1.8391 1.8429 1.9519 1.9544 2.2191 2.2207 7.5607 7.5610 11.0867 11.0870 11.5328 11.5340 12.4311 12.4315 k = 0.0000 0.0000 0.2688 ( 10442 PWs) bands (ev): -40.8804 -40.8804 -40.8414 -40.8414 -40.8052 -40.8052 -40.8022 -40.8022 -19.1082 -19.1082 -15.3430 -15.3429 -15.0314 -15.0313 -14.9974 -14.9974 -5.8431 -5.8429 -3.6884 -3.6869 -3.5990 -3.5988 -3.4957 -3.4956 -1.0804 -1.0782 0.0487 0.0507 0.5509 0.5511 0.9616 0.9631 1.3004 1.3034 1.8288 1.8324 1.9541 1.9565 2.2273 2.2289 7.5971 7.5974 11.0583 11.0586 11.5546 11.5557 12.4121 12.4126 k = 0.0000 0.0000 0.2846 ( 10440 PWs) bands (ev): -40.8797 -40.8797 -40.8423 -40.8423 -40.8052 -40.8052 -40.8019 -40.8019 -19.1086 -19.1086 -15.3409 -15.3408 -15.0346 -15.0346 -14.9972 -14.9972 -5.8383 -5.8381 -3.6822 -3.6808 -3.6000 -3.5997 -3.4870 -3.4870 -1.0705 -1.0682 0.0298 0.0317 0.5270 0.5271 0.9726 0.9739 1.2832 1.2859 1.8182 1.8217 1.9563 1.9587 2.2356 2.2372 7.6338 7.6341 11.0301 11.0304 11.5777 11.5787 12.3810 12.3838 k = 0.0000 0.0000 0.3004 ( 10424 PWs) bands (ev): -40.8790 -40.8790 -40.8432 -40.8432 -40.8052 -40.8052 -40.8017 -40.8017 -19.1089 -19.1089 -15.3387 -15.3386 -15.0379 -15.0378 -14.9970 -14.9970 -5.8337 -5.8334 -3.6759 -3.6746 -3.6009 -3.6007 -3.4784 -3.4783 -1.0603 -1.0580 0.0114 0.0133 0.5026 0.5027 0.9829 0.9841 1.2667 1.2691 1.8075 1.8108 1.9585 1.9608 2.2439 2.2454 7.6705 7.6708 11.0022 11.0025 11.6019 11.6028 12.3445 12.3472 k = 0.0000 0.0000 0.3162 ( 10426 PWs) bands (ev): -40.8783 -40.8783 -40.8442 -40.8442 -40.8052 -40.8052 -40.8015 -40.8015 -19.1092 -19.1092 -15.3365 -15.3364 -15.0412 -15.0411 -14.9968 -14.9968 -5.8291 -5.8288 -3.6695 -3.6683 -3.6018 -3.6016 -3.4698 -3.4696 -1.0500 -1.0478 -0.0062 -0.0044 0.4778 0.4780 0.9925 0.9937 1.2510 1.2530 1.7967 1.7998 1.9607 1.9629 2.2522 2.2536 7.7069 7.7072 10.9748 10.9751 11.6271 11.6279 12.3094 12.3120 k = 0.0000 0.0000 0.3320 ( 10434 PWs) bands (ev): -40.8776 -40.8776 -40.8451 -40.8451 -40.8052 -40.8052 -40.8013 -40.8013 -19.1095 -19.1095 -15.3342 -15.3342 -15.0444 -15.0444 -14.9967 -14.9967 -5.8246 -5.8244 -3.6632 -3.6621 -3.6027 -3.6024 -3.4613 -3.4610 -1.0397 -1.0375 -0.0230 -0.0213 0.4529 0.4532 1.0015 1.0026 1.2361 1.2379 1.7859 1.7888 1.9629 1.9650 2.2604 2.2617 7.7427 7.7430 10.9481 10.9484 11.6532 11.6538 12.2758 12.2783 k = 0.0000 0.0000 0.3479 ( 10430 PWs) bands (ev): -40.8768 -40.8768 -40.8461 -40.8461 -40.8052 -40.8052 -40.8011 -40.8011 -19.1098 -19.1098 -15.3320 -15.3319 -15.0477 -15.0476 -14.9965 -14.9965 -5.8203 -5.8201 -3.6571 -3.6561 -3.6035 -3.6033 -3.4529 -3.4525 -1.0294 -1.0272 -0.0389 -0.0373 0.4281 0.4285 1.0097 1.0107 1.2222 1.2237 1.7752 1.7779 1.9650 1.9670 2.2683 2.2696 7.7777 7.7780 10.9223 10.9226 11.6799 11.6804 12.2439 12.2463 k = 0.0000 0.0000 0.3637 ( 10430 PWs) bands (ev): -40.8760 -40.8760 -40.8470 -40.8470 -40.8052 -40.8052 -40.8009 -40.8009 -19.1101 -19.1101 -15.3298 -15.3297 -15.0508 -15.0508 -14.9963 -14.9963 -5.8162 -5.8160 -3.6511 -3.6502 -3.6043 -3.6041 -3.4446 -3.4442 -1.0192 -1.0171 -0.0539 -0.0524 0.4037 0.4041 1.0173 1.0182 1.2094 1.2106 1.7647 1.7672 1.9671 1.9689 2.2761 2.2772 7.8115 7.8117 10.8976 10.8979 11.7070 11.7074 12.2139 12.2161 k = 0.0000 0.0000 0.3795 ( 10428 PWs) bands (ev): -40.8752 -40.8752 -40.8480 -40.8480 -40.8052 -40.8052 -40.8007 -40.8007 -19.1104 -19.1104 -15.3277 -15.3276 -15.0539 -15.0538 -14.9961 -14.9961 -5.8124 -5.8122 -3.6453 -3.6446 -3.6051 -3.6049 -3.4367 -3.4362 -1.0093 -1.0073 -0.0678 -0.0665 0.3798 0.3803 1.0242 1.0250 1.1976 1.1985 1.7545 1.7568 1.9690 1.9707 2.2835 2.2845 7.8438 7.8441 10.8742 10.8744 11.7344 11.7346 12.1859 12.1879 k = 0.0000 0.0000 0.3953 ( 10434 PWs) bands (ev): -40.8744 -40.8744 -40.8490 -40.8490 -40.8052 -40.8052 -40.8006 -40.8006 -19.1106 -19.1106 -15.3256 -15.3256 -15.0568 -15.0568 -14.9960 -14.9960 -5.8088 -5.8086 -3.6399 -3.6393 -3.6058 -3.6056 -3.4290 -3.4285 -0.9996 -0.9977 -0.0808 -0.0795 0.3569 0.3574 1.0305 1.0312 1.1869 1.1876 1.7448 1.7468 1.9708 1.9725 2.2905 2.2915 7.8745 7.8747 10.8521 10.8523 11.7618 11.7618 12.1599 12.1618 k = 0.0000 0.0000 0.4111 ( 10442 PWs) bands (ev): -40.8736 -40.8736 -40.8499 -40.8499 -40.8052 -40.8052 -40.8004 -40.8004 -19.1109 -19.1109 -15.3237 -15.3236 -15.0596 -15.0595 -14.9958 -14.9958 -5.8054 -5.8052 -3.6349 -3.6343 -3.6064 -3.6062 -3.4218 -3.4213 -0.9904 -0.9887 -0.0926 -0.0915 0.3350 0.3356 1.0360 1.0367 1.1774 1.1779 1.7356 1.7374 1.9726 1.9740 2.2970 2.2979 7.9031 7.9034 10.8316 10.8318 11.7888 11.7890 12.1362 12.1379 k = 0.0000 0.0000 0.4269 ( 10434 PWs) bands (ev): -40.8729 -40.8729 -40.8508 -40.8508 -40.8052 -40.8052 -40.8003 -40.8003 -19.1111 -19.1111 -15.3218 -15.3218 -15.0622 -15.0621 -14.9957 -14.9957 -5.8024 -5.8022 -3.6302 -3.6298 -3.6070 -3.6068 -3.4151 -3.4145 -0.9818 -0.9801 -0.1033 -0.1023 0.3146 0.3151 1.0410 1.0416 1.1689 1.1693 1.7270 1.7286 1.9741 1.9755 2.3031 2.3039 7.9296 7.9298 10.8128 10.8130 11.8153 11.8156 12.1148 12.1163 k = 0.0000 0.0000 0.4427 ( 10442 PWs) bands (ev): -40.8721 -40.8721 -40.8517 -40.8517 -40.8052 -40.8052 -40.8002 -40.8002 -19.1113 -19.1113 -15.3201 -15.3201 -15.0645 -15.0645 -14.9956 -14.9956 -5.7996 -5.7995 -3.6261 -3.6258 -3.6075 -3.6072 -3.4089 -3.4084 -0.9738 -0.9723 -0.1128 -0.1119 0.2958 0.2963 1.0453 1.0458 1.1616 1.1618 1.7191 1.7205 1.9756 1.9767 2.3086 2.3093 7.9535 7.9537 10.7959 10.7961 11.8410 11.8415 12.0957 12.0971 k = 0.0000 0.0000 0.4585 ( 10442 PWs) bands (ev): -40.8714 -40.8714 -40.8525 -40.8525 -40.8052 -40.8052 -40.8001 -40.8001 -19.1115 -19.1115 -15.3186 -15.3185 -15.0666 -15.0666 -14.9955 -14.9955 -5.7972 -5.7971 -3.6225 -3.6223 -3.6078 -3.6076 -3.4033 -3.4028 -0.9665 -0.9652 -0.1211 -0.1204 0.2789 0.2794 1.0490 1.0494 1.1553 1.1554 1.7120 1.7132 1.9768 1.9779 2.3135 2.3141 7.9748 7.9750 10.7809 10.7811 11.8657 11.8663 12.0790 12.0802 k = 0.0000 0.0000 0.4743 ( 10438 PWs) bands (ev): -40.8707 -40.8707 -40.8533 -40.8533 -40.8052 -40.8052 -40.8000 -40.8000 -19.1116 -19.1116 -15.3173 -15.3172 -15.0685 -15.0684 -14.9954 -14.9954 -5.7952 -5.7951 -3.6195 -3.6193 -3.6081 -3.6078 -3.3985 -3.3980 -0.9601 -0.9590 -0.1282 -0.1276 0.2642 0.2646 1.0521 1.0524 1.1501 1.1501 1.7059 1.7069 1.9779 1.9788 2.3177 2.3182 7.9932 7.9933 10.7680 10.7682 11.8890 11.8897 12.0649 12.0659 k = 0.0000 0.0000 0.4902 ( 10432 PWs) bands (ev): -40.8701 -40.8701 -40.8540 -40.8540 -40.8052 -40.8052 -40.7999 -40.7999 -19.1118 -19.1118 -15.3161 -15.3161 -15.0700 -15.0700 -14.9953 -14.9953 -5.7935 -5.7934 -3.6171 -3.6170 -3.6081 -3.6079 -3.3944 -3.3940 -0.9547 -0.9538 -0.1340 -0.1335 0.2518 0.2522 1.0546 1.0549 1.1458 1.1458 1.7008 1.7016 1.9789 1.9796 2.3212 2.3216 8.0085 8.0086 10.7574 10.7575 11.9105 11.9113 12.0532 12.0540 k = 0.0000 0.0000 0.5060 ( 10412 PWs) bands (ev): -40.8695 -40.8695 -40.8545 -40.8545 -40.8052 -40.8052 -40.7998 -40.7998 -19.1119 -19.1119 -15.3152 -15.3152 -15.0712 -15.0712 -14.9952 -14.9952 -5.7921 -5.7921 -3.6154 -3.6154 -3.6080 -3.6078 -3.3911 -3.3909 -0.9504 -0.9497 -0.1385 -0.1381 0.2420 0.2423 1.0565 1.0567 1.1426 1.1426 1.6968 1.6973 1.9796 1.9801 2.3240 2.3243 8.0206 8.0206 10.7490 10.7490 11.9294 11.9302 12.0442 12.0448 k = 0.0000 0.0000 0.5218 ( 10406 PWs) bands (ev): -40.8691 -40.8691 -40.8550 -40.8550 -40.8052 -40.8052 -40.7998 -40.7998 -19.1119 -19.1119 -15.3146 -15.3146 -15.0721 -15.0721 -14.9952 -14.9952 -5.7912 -5.7911 -3.6143 -3.6143 -3.6078 -3.6076 -3.3887 -3.3886 -0.9472 -0.9467 -0.1417 -0.1415 0.2349 0.2351 1.0579 1.0580 1.1402 1.1403 1.6939 1.6942 1.9802 1.9805 2.3260 2.3262 8.0293 8.0293 10.7429 10.7430 11.9449 11.9456 12.0377 12.0381 k = 0.0000 0.0000 0.5376 ( 10412 PWs) bands (ev): -40.8689 -40.8689 -40.8552 -40.8552 -40.8052 -40.8052 -40.7998 -40.7998 -19.1120 -19.1120 -15.3142 -15.3142 -15.0727 -15.0727 -14.9952 -14.9952 -5.7906 -5.7906 -3.6137 -3.6137 -3.6075 -3.6075 -3.3873 -3.3872 -0.9452 -0.9449 -0.1436 -0.1435 0.2306 0.2307 1.0588 1.0588 1.1389 1.1389 1.6921 1.6923 1.9806 1.9807 2.3273 2.3274 8.0345 8.0346 10.7393 10.7393 11.9555 11.9559 12.0339 12.0341 k = 0.0000 0.0000 0.5534 ( 10396 PWs) bands (ev): -40.8688 -40.8688 -40.8553 -40.8553 -40.8052 -40.8052 -40.7998 -40.7998 -19.1120 -19.1120 -15.3140 -15.3140 -15.0728 -15.0728 -14.9952 -14.9952 -5.7904 -5.7904 -3.6136 -3.6136 -3.6074 -3.6074 -3.3868 -3.3868 -0.9444 -0.9444 -0.1442 -0.1442 0.2292 0.2292 1.0591 1.0591 1.1384 1.1384 1.6916 1.6916 1.9807 1.9807 2.3277 2.3277 8.0363 8.0363 10.7380 10.7380 11.9594 11.9594 12.0326 12.0326 k = 0.0000 0.0000 0.5534 ( 10396 PWs) bands (ev): -40.8688 -40.8688 -40.8553 -40.8553 -40.8052 -40.8052 -40.7998 -40.7998 -19.1120 -19.1120 -15.3140 -15.3140 -15.0728 -15.0728 -14.9952 -14.9952 -5.7904 -5.7904 -3.6136 -3.6136 -3.6074 -3.6074 -3.3868 -3.3868 -0.9444 -0.9444 -0.1442 -0.1442 0.2292 0.2292 1.0591 1.0591 1.1384 1.1384 1.6916 1.6916 1.9807 1.9807 2.3277 2.3277 8.0363 8.0363 10.7380 10.7380 11.9594 11.9594 12.0326 12.0326 k =-0.0143 0.0068 0.5534 ( 10418 PWs) bands (ev): -40.8688 -40.8688 -40.8553 -40.8553 -40.8053 -40.8053 -40.7997 -40.7997 -19.1120 -19.1120 -15.3140 -15.3140 -15.0728 -15.0728 -14.9953 -14.9953 -5.7902 -5.7902 -3.6186 -3.6127 -3.6075 -3.6017 -3.3868 -3.3868 -0.9442 -0.9440 -0.1474 -0.1471 0.2316 0.2318 1.0578 1.0590 1.1370 1.1383 1.6918 1.6920 1.9802 1.9804 2.3279 2.3280 8.0370 8.0372 10.7395 10.7396 11.9495 11.9498 12.0405 12.0406 k =-0.0286 0.0136 0.5534 ( 10424 PWs) bands (ev): -40.8687 -40.8687 -40.8553 -40.8553 -40.8056 -40.8056 -40.7994 -40.7994 -19.1120 -19.1120 -15.3137 -15.3137 -15.0728 -15.0728 -14.9956 -14.9956 -5.7898 -5.7898 -3.6229 -3.6169 -3.6012 -3.5954 -3.3869 -3.3869 -0.9434 -0.9431 -0.1563 -0.1558 0.2388 0.2391 1.0552 1.0575 1.1341 1.1367 1.6925 1.6930 1.9788 1.9793 2.3286 2.3288 8.0394 8.0396 10.7440 10.7442 11.9270 11.9276 12.0572 12.0575 k =-0.0429 0.0203 0.5534 ( 10426 PWs) bands (ev): -40.8686 -40.8686 -40.8553 -40.8553 -40.8061 -40.8061 -40.7990 -40.7990 -19.1121 -19.1121 -15.3134 -15.3134 -15.0727 -15.0727 -14.9962 -14.9962 -5.7891 -5.7890 -3.6265 -3.6204 -3.5942 -3.5884 -3.3870 -3.3870 -0.9419 -0.9415 -0.1703 -0.1696 0.2501 0.2505 1.0513 1.0547 1.1297 1.1335 1.6938 1.6946 1.9766 1.9773 2.3297 2.3301 8.0432 8.0436 10.7514 10.7517 11.8994 11.9001 12.0755 12.0760 k =-0.0571 0.0271 0.5534 ( 10424 PWs) bands (ev): -40.8685 -40.8685 -40.8553 -40.8553 -40.8067 -40.8067 -40.7985 -40.7985 -19.1122 -19.1122 -15.3129 -15.3128 -15.0726 -15.0726 -14.9970 -14.9970 -5.7880 -5.7879 -3.6292 -3.6231 -3.5866 -3.5809 -3.3872 -3.3872 -0.9399 -0.9393 -0.1884 -0.1876 0.2647 0.2652 1.0462 1.0505 1.1238 1.1288 1.6957 1.6967 1.9736 1.9745 2.3314 2.3319 8.0486 8.0492 10.7617 10.7620 11.8692 11.8701 12.0924 12.0935 k =-0.0714 0.0339 0.5534 ( 10442 PWs) bands (ev): -40.8683 -40.8683 -40.8553 -40.8553 -40.8074 -40.8074 -40.7980 -40.7980 -19.1124 -19.1124 -15.3122 -15.3122 -15.0725 -15.0725 -14.9981 -14.9980 -5.7867 -5.7866 -3.6311 -3.6250 -3.5786 -3.5729 -3.3874 -3.3874 -0.9372 -0.9365 -0.2098 -0.2089 0.2816 0.2821 1.0398 1.0450 1.1165 1.1225 1.6981 1.6994 1.9699 1.9709 2.3336 2.3342 8.0555 8.0562 10.7746 10.7749 11.8377 11.8387 12.0960 12.0960 k =-0.0857 0.0407 0.5534 ( 10450 PWs) bands (ev): -40.8681 -40.8681 -40.8553 -40.8553 -40.8082 -40.8082 -40.7975 -40.7975 -19.1126 -19.1126 -15.3114 -15.3114 -15.0723 -15.0723 -14.9993 -14.9993 -5.7852 -5.7850 -3.6321 -3.6260 -3.5701 -3.5645 -3.3877 -3.3877 -0.9340 -0.9332 -0.2337 -0.2326 0.3000 0.3005 1.0322 1.0382 1.1078 1.1147 1.7010 1.7025 1.9655 1.9667 2.3362 2.3369 8.0639 8.0647 10.7899 10.7903 11.8055 11.8067 12.0951 12.0953 k =-0.1000 0.0474 0.5534 ( 10460 PWs) bands (ev): -40.8679 -40.8679 -40.8553 -40.8553 -40.8090 -40.8090 -40.7969 -40.7969 -19.1128 -19.1128 -15.3104 -15.3104 -15.0722 -15.0722 -15.0008 -15.0008 -5.7834 -5.7832 -3.6323 -3.6261 -3.5613 -3.5558 -3.3880 -3.3880 -0.9302 -0.9292 -0.2593 -0.2582 0.3194 0.3199 1.0234 1.0301 1.0978 1.1054 1.7045 1.7062 1.9605 1.9619 2.3392 2.3400 8.0736 8.0745 10.8074 10.8078 11.7732 11.7745 12.0939 12.0942 k =-0.1143 0.0542 0.5534 ( 10456 PWs) bands (ev): -40.8676 -40.8676 -40.8553 -40.8553 -40.8098 -40.8098 -40.7964 -40.7964 -19.1130 -19.1130 -15.3093 -15.3093 -15.0720 -15.0720 -15.0025 -15.0024 -5.7813 -5.7812 -3.6315 -3.6253 -3.5522 -3.5468 -3.3884 -3.3884 -0.9259 -0.9248 -0.2863 -0.2851 0.3392 0.3397 1.0136 1.0207 1.0864 1.0946 1.7084 1.7103 1.9550 1.9565 2.3427 2.3436 8.0846 8.0857 10.8266 10.8271 11.7413 11.7428 12.0924 12.0927 k =-0.1286 0.0610 0.5534 ( 10466 PWs) bands (ev): -40.8673 -40.8673 -40.8553 -40.8553 -40.8106 -40.8106 -40.7959 -40.7959 -19.1133 -19.1133 -15.3081 -15.3081 -15.0718 -15.0718 -15.0044 -15.0043 -5.7791 -5.7789 -3.6297 -3.6236 -3.5429 -3.5376 -3.3888 -3.3888 -0.9210 -0.9198 -0.3140 -0.3129 0.3591 0.3596 1.0027 1.0101 1.0738 1.0823 1.7128 1.7149 1.9491 1.9507 2.3466 2.3476 8.0968 8.0980 10.8471 10.8477 11.7104 11.7120 12.0904 12.0908 k =-0.1429 0.0678 0.5534 ( 10460 PWs) bands (ev): -40.8669 -40.8669 -40.8553 -40.8553 -40.8115 -40.8115 -40.7953 -40.7953 -19.1135 -19.1135 -15.3068 -15.3067 -15.0715 -15.0715 -15.0064 -15.0064 -5.7767 -5.7765 -3.6271 -3.6210 -3.5334 -3.5282 -3.3892 -3.3892 -0.9156 -0.9142 -0.3424 -0.3411 0.3788 0.3792 0.9909 0.9983 1.0602 1.0687 1.7176 1.7199 1.9429 1.9446 2.3508 2.3519 8.1102 8.1114 10.8685 10.8691 11.6812 11.6828 12.0880 12.0885 k =-0.1571 0.0745 0.5534 ( 10468 PWs) bands (ev): -40.8665 -40.8665 -40.8553 -40.8553 -40.8124 -40.8124 -40.7948 -40.7948 -19.1138 -19.1138 -15.3053 -15.3052 -15.0713 -15.0713 -15.0087 -15.0086 -5.7741 -5.7739 -3.6235 -3.6174 -3.5238 -3.5187 -3.3897 -3.3897 -0.9097 -0.9082 -0.3709 -0.3697 0.3980 0.3984 0.9780 0.9853 1.0455 1.0539 1.7228 1.7252 1.9364 1.9381 2.3554 2.3566 8.1245 8.1258 10.8899 10.8906 11.6542 11.6559 12.0852 12.0857 k =-0.1714 0.0813 0.5534 ( 10480 PWs) bands (ev): -40.8661 -40.8661 -40.8553 -40.8553 -40.8133 -40.8133 -40.7944 -40.7944 -19.1141 -19.1141 -15.3037 -15.3036 -15.0710 -15.0710 -15.0111 -15.0110 -5.7715 -5.7712 -3.6191 -3.6130 -3.5142 -3.5092 -3.3902 -3.3902 -0.9033 -0.9018 -0.3994 -0.3982 0.4167 0.4171 0.9642 0.9711 1.0300 1.0380 1.7284 1.7309 1.9298 1.9315 2.3603 2.3616 8.1398 8.1412 10.9108 10.9114 11.6302 11.6320 12.0818 12.0823 k =-0.1857 0.0881 0.5534 ( 10472 PWs) bands (ev): -40.8657 -40.8657 -40.8553 -40.8553 -40.8142 -40.8142 -40.7939 -40.7939 -19.1145 -19.1145 -15.3019 -15.3019 -15.0707 -15.0707 -15.0137 -15.0136 -5.7687 -5.7684 -3.6138 -3.6077 -3.5046 -3.4997 -3.3907 -3.3907 -0.8965 -0.8949 -0.4278 -0.4266 0.4347 0.4350 0.9496 0.9557 1.0139 1.0211 1.7342 1.7368 1.9230 1.9248 2.3655 2.3668 8.1558 8.1572 10.9301 10.9308 11.6102 11.6119 12.0779 12.0784 k =-0.2000 0.0949 0.5534 ( 10464 PWs) bands (ev): -40.8652 -40.8652 -40.8553 -40.8553 -40.8152 -40.8152 -40.7934 -40.7934 -19.1148 -19.1148 -15.3001 -15.3000 -15.0704 -15.0704 -15.0164 -15.0163 -5.7658 -5.7656 -3.6077 -3.6016 -3.4952 -3.4903 -3.3913 -3.3912 -0.8893 -0.8876 -0.4558 -0.4546 0.4518 0.4521 0.9340 0.9392 0.9974 1.0035 1.7403 1.7430 1.9163 1.9180 2.3710 2.3723 8.1724 8.1739 10.9471 10.9477 11.5949 11.5966 12.0735 12.0740 k =-0.2143 0.1016 0.5534 ( 10476 PWs) bands (ev): -40.8647 -40.8647 -40.8553 -40.8553 -40.8161 -40.8161 -40.7930 -40.7930 -19.1152 -19.1152 -15.2982 -15.2981 -15.0701 -15.0701 -15.0192 -15.0191 -5.7630 -5.7627 -3.6007 -3.5948 -3.4858 -3.4811 -3.3918 -3.3918 -0.8818 -0.8800 -0.4833 -0.4821 0.4681 0.4683 0.9175 0.9215 0.9805 0.9855 1.7465 1.7493 1.9096 1.9113 2.3766 2.3780 8.1896 8.1912 10.9607 10.9613 11.5851 11.5868 12.0686 12.0691 k =-0.2286 0.1084 0.5534 ( 10476 PWs) bands (ev): -40.8642 -40.8642 -40.8553 -40.8553 -40.8171 -40.8171 -40.7926 -40.7926 -19.1155 -19.1155 -15.2962 -15.2961 -15.0698 -15.0698 -15.0221 -15.0221 -5.7601 -5.7598 -3.5931 -3.5872 -3.4767 -3.4721 -3.3923 -3.3923 -0.8739 -0.8721 -0.5102 -0.5090 0.4835 0.4837 0.9001 0.9028 0.9636 0.9671 1.7529 1.7557 1.9030 1.9046 2.3824 2.3838 8.2072 8.2087 10.9702 10.9707 11.5816 11.5832 12.0631 12.0636 k =-0.2429 0.1152 0.5534 ( 10480 PWs) bands (ev): -40.8636 -40.8636 -40.8553 -40.8553 -40.8180 -40.8180 -40.7922 -40.7922 -19.1159 -19.1159 -15.2941 -15.2940 -15.0695 -15.0695 -15.0252 -15.0251 -5.7572 -5.7569 -3.5848 -3.5790 -3.4679 -3.4634 -3.3929 -3.3929 -0.8658 -0.8639 -0.5362 -0.5351 0.4980 0.4981 0.8819 0.8831 0.9468 0.9487 1.7594 1.7622 1.8966 1.8981 2.3884 2.3897 8.2250 8.2265 10.9752 10.9756 11.5846 11.5861 12.0572 12.0577 k =-0.2571 0.1220 0.5534 ( 10472 PWs) bands (ev): -40.8631 -40.8631 -40.8553 -40.8553 -40.8189 -40.8189 -40.7918 -40.7918 -19.1163 -19.1163 -15.2919 -15.2918 -15.0692 -15.0692 -15.0283 -15.0282 -5.7543 -5.7540 -3.5759 -3.5701 -3.4594 -3.4550 -3.3935 -3.3934 -0.8575 -0.8556 -0.5615 -0.5604 0.5115 0.5116 0.8627 0.8629 0.9302 0.9306 1.7659 1.7687 1.8904 1.8918 2.3944 2.3957 8.2429 8.2444 10.9756 10.9759 11.5940 11.5954 12.0508 12.0513 k =-0.2714 0.1287 0.5534 ( 10464 PWs) bands (ev): -40.8625 -40.8625 -40.8553 -40.8553 -40.8199 -40.8199 -40.7914 -40.7914 -19.1167 -19.1167 -15.2897 -15.2896 -15.0689 -15.0689 -15.0314 -15.0313 -5.7515 -5.7512 -3.5665 -3.5608 -3.4514 -3.4471 -3.3940 -3.3940 -0.8491 -0.8471 -0.5857 -0.5847 0.5241 0.5242 0.8417 0.8431 0.9128 0.9139 1.7723 1.7751 1.8844 1.8857 2.4004 2.4018 8.2607 8.2623 10.9716 10.9718 11.6093 11.6106 12.0441 12.0446 k =-0.2857 0.1355 0.5534 ( 10478 PWs) bands (ev): -40.8619 -40.8619 -40.8553 -40.8553 -40.8208 -40.8208 -40.7911 -40.7911 -19.1170 -19.1170 -15.2874 -15.2873 -15.0686 -15.0686 -15.0346 -15.0345 -5.7488 -5.7485 -3.5566 -3.5511 -3.4437 -3.4395 -3.3946 -3.3945 -0.8405 -0.8386 -0.6090 -0.6080 0.5358 0.5358 0.8203 0.8229 0.8957 0.8979 1.7787 1.7813 1.8787 1.8799 2.4064 2.4077 8.2784 8.2799 10.9640 10.9640 11.6297 11.6309 12.0371 12.0376 k =-0.3000 0.1423 0.5534 ( 10486 PWs) bands (ev): -40.8613 -40.8613 -40.8553 -40.8553 -40.8217 -40.8217 -40.7908 -40.7908 -19.1174 -19.1174 -15.2852 -15.2851 -15.0683 -15.0683 -15.0377 -15.0376 -5.7462 -5.7459 -3.5465 -3.5410 -3.4366 -3.4325 -3.3951 -3.3950 -0.8320 -0.8301 -0.6310 -0.6301 0.5465 0.5465 0.7989 0.8023 0.8792 0.8824 1.7849 1.7875 1.8733 1.8744 2.4124 2.4136 8.2957 8.2972 10.9534 10.9534 11.6542 11.6552 12.0299 12.0303 k =-0.3143 0.1491 0.5534 ( 10486 PWs) bands (ev): -40.8607 -40.8607 -40.8553 -40.8553 -40.8226 -40.8226 -40.7905 -40.7905 -19.1177 -19.1177 -15.2829 -15.2828 -15.0680 -15.0680 -15.0409 -15.0408 -5.7437 -5.7434 -3.5361 -3.5308 -3.4300 -3.4261 -3.3956 -3.3955 -0.8236 -0.8217 -0.6519 -0.6510 0.5563 0.5563 0.7777 0.7816 0.8635 0.8673 1.7909 1.7934 1.8682 1.8693 2.4182 2.4194 8.3126 8.3140 10.9406 10.9408 11.6816 11.6826 12.0225 12.0230 k =-0.3286 0.1559 0.5534 ( 10490 PWs) bands (ev): -40.8601 -40.8601 -40.8553 -40.8553 -40.8235 -40.8235 -40.7902 -40.7902 -19.1181 -19.1181 -15.2806 -15.2805 -15.0677 -15.0677 -15.0440 -15.0439 -5.7413 -5.7410 -3.5256 -3.5204 -3.4240 -3.4203 -3.3961 -3.3959 -0.8153 -0.8134 -0.6715 -0.6706 0.5652 0.5653 0.7569 0.7612 0.8486 0.8529 1.7966 1.7990 1.8635 1.8644 2.4238 2.4249 8.3288 8.3302 10.9266 10.9268 11.7110 11.7120 12.0152 12.0156 k =-0.3429 0.1626 0.5534 ( 10480 PWs) bands (ev): -40.8595 -40.8595 -40.8553 -40.8553 -40.8243 -40.8243 -40.7900 -40.7900 -19.1184 -19.1184 -15.2784 -15.2783 -15.0675 -15.0674 -15.0470 -15.0469 -5.7390 -5.7388 -3.5150 -3.5100 -3.4186 -3.4151 -3.3966 -3.3962 -0.8072 -0.8054 -0.6897 -0.6889 0.5732 0.5733 0.7368 0.7412 0.8346 0.8391 1.8020 1.8043 1.8591 1.8600 2.4292 2.4303 8.3443 8.3456 10.9119 10.9122 11.7414 11.7424 12.0079 12.0083 k =-0.3571 0.1694 0.5534 ( 10478 PWs) bands (ev): -40.8589 -40.8589 -40.8553 -40.8553 -40.8251 -40.8251 -40.7897 -40.7897 -19.1187 -19.1187 -15.2763 -15.2762 -15.0672 -15.0672 -15.0498 -15.0498 -5.7370 -5.7368 -3.5046 -3.4997 -3.4139 -3.4107 -3.3971 -3.3964 -0.7995 -0.7978 -0.7066 -0.7058 0.5804 0.5805 0.7176 0.7220 0.8215 0.8261 1.8071 1.8092 1.8552 1.8559 2.4343 2.4353 8.3589 8.3602 10.8972 10.8974 11.7719 11.7730 12.0008 12.0012 k =-0.3714 0.1762 0.5534 ( 10472 PWs) bands (ev): -40.8583 -40.8583 -40.8553 -40.8553 -40.8259 -40.8259 -40.7895 -40.7895 -19.1190 -19.1190 -15.2742 -15.2741 -15.0670 -15.0670 -15.0526 -15.0525 -5.7351 -5.7349 -3.4944 -3.4897 -3.4099 -3.4071 -3.3975 -3.3965 -0.7921 -0.7905 -0.7220 -0.7213 0.5867 0.5869 0.6996 0.7038 0.8094 0.8139 1.8118 1.8137 1.8516 1.8522 2.4392 2.4401 8.3726 8.3737 10.8828 10.8830 11.8018 11.8030 11.9940 11.9944 k =-0.3857 0.1830 0.5534 ( 10468 PWs) bands (ev): -40.8578 -40.8578 -40.8553 -40.8553 -40.8267 -40.8267 -40.7893 -40.7893 -19.1192 -19.1192 -15.2723 -15.2722 -15.0667 -15.0667 -15.0552 -15.0551 -5.7333 -5.7332 -3.4845 -3.4800 -3.4065 -3.4044 -3.3978 -3.3964 -0.7852 -0.7838 -0.7358 -0.7353 0.5922 0.5925 0.6830 0.6869 0.7984 0.8027 1.8160 1.8177 1.8484 1.8490 2.4436 2.4444 8.3851 8.3862 10.8691 10.8694 11.8305 11.8318 11.9876 11.9879 k =-0.4000 0.1897 0.5534 ( 10472 PWs) bands (ev): -40.8572 -40.8572 -40.8553 -40.8553 -40.8273 -40.8273 -40.7892 -40.7892 -19.1195 -19.1195 -15.2705 -15.2704 -15.0666 -15.0666 -15.0575 -15.0574 -5.7318 -5.7316 -3.4751 -3.4707 -3.4040 -3.4027 -3.3981 -3.3959 -0.7789 -0.7776 -0.7482 -0.7477 0.5968 0.5972 0.6681 0.6715 0.7885 0.7925 1.8197 1.8212 1.8457 1.8463 2.4476 2.4484 8.3965 8.3974 10.8565 10.8568 11.8573 11.8587 11.9817 11.9820 k =-0.4143 0.1965 0.5534 ( 10458 PWs) bands (ev): -40.8568 -40.8568 -40.8553 -40.8553 -40.8279 -40.8279 -40.7890 -40.7890 -19.1197 -19.1197 -15.2689 -15.2688 -15.0664 -15.0664 -15.0596 -15.0596 -5.7304 -5.7303 -3.4662 -3.4621 -3.4021 -3.4018 -3.3984 -3.3954 -0.7733 -0.7721 -0.7590 -0.7585 0.6005 0.6011 0.6551 0.6579 0.7799 0.7834 1.8228 1.8241 1.8435 1.8440 2.4512 2.4519 8.4065 8.4073 10.8452 10.8454 11.8818 11.8834 11.9764 11.9767 k =-0.4286 0.2033 0.5534 ( 10452 PWs) bands (ev): -40.8563 -40.8563 -40.8553 -40.8553 -40.8285 -40.8285 -40.7889 -40.7889 -19.1198 -19.1198 -15.2674 -15.2674 -15.0662 -15.0662 -15.0615 -15.0614 -5.7293 -5.7292 -3.4581 -3.4543 -3.4014 -3.4011 -3.3984 -3.3950 -0.7684 -0.7681 -0.7679 -0.7672 0.6032 0.6040 0.6442 0.6463 0.7725 0.7755 1.8253 1.8263 1.8419 1.8423 2.4543 2.4549 8.4152 8.4158 10.8353 10.8355 11.9035 11.9053 11.9717 11.9721 k =-0.4429 0.2101 0.5534 ( 10452 PWs) bands (ev): -40.8560 -40.8560 -40.8553 -40.8553 -40.8289 -40.8289 -40.7888 -40.7888 -19.1200 -19.1200 -15.2662 -15.2662 -15.0661 -15.0661 -15.0630 -15.0630 -5.7283 -5.7282 -3.4508 -3.4474 -3.4014 -3.4007 -3.3983 -3.3949 -0.7756 -0.7753 -0.7642 -0.7634 0.6049 0.6059 0.6357 0.6371 0.7664 0.7689 1.8271 1.8279 1.8408 1.8412 2.4569 2.4574 8.4224 8.4229 10.8270 10.8272 11.9221 11.9241 11.9678 11.9682 k =-0.4571 0.2168 0.5534 ( 10456 PWs) bands (ev): -40.8557 -40.8557 -40.8553 -40.8553 -40.8293 -40.8293 -40.7887 -40.7887 -19.1201 -19.1201 -15.2653 -15.2652 -15.0660 -15.0660 -15.0643 -15.0642 -5.7276 -5.7275 -3.4445 -3.4417 -3.4014 -3.4008 -3.3981 -3.3951 -0.7815 -0.7813 -0.7608 -0.7602 0.6053 0.6064 0.6299 0.6306 0.7617 0.7636 1.8283 1.8288 1.8403 1.8407 2.4590 2.4593 8.4280 8.4284 10.8205 10.8207 11.9373 11.9393 11.9648 11.9652 k =-0.4714 0.2236 0.5534 ( 10458 PWs) bands (ev): -40.8555 -40.8555 -40.8553 -40.8553 -40.8296 -40.8296 -40.7887 -40.7887 -19.1202 -19.1202 -15.2646 -15.2646 -15.0660 -15.0660 -15.0651 -15.0651 -5.7271 -5.7270 -3.4395 -3.4375 -3.4016 -3.4012 -3.3979 -3.3957 -0.7857 -0.7856 -0.7584 -0.7580 0.6048 0.6058 0.6266 0.6268 0.7584 0.7596 1.8289 1.8292 1.8402 1.8405 2.4605 2.4607 8.4321 8.4324 10.8158 10.8159 11.9487 11.9506 11.9629 11.9633 k =-0.4857 0.2304 0.5534 ( 10454 PWs) bands (ev): -40.8554 -40.8554 -40.8553 -40.8553 -40.8297 -40.8297 -40.7886 -40.7886 -19.1202 -19.1202 -15.2641 -15.2641 -15.0660 -15.0660 -15.0656 -15.0656 -5.7267 -5.7267 -3.4361 -3.4350 -3.4017 -3.4015 -3.3975 -3.3964 -0.7882 -0.7881 -0.7569 -0.7567 0.6041 0.6047 0.6250 0.6251 0.7565 0.7571 1.8291 1.8293 1.8403 1.8404 2.4614 2.4615 8.4346 8.4348 10.8130 10.8130 11.9555 11.9568 11.9627 11.9629 k =-0.5000 0.2372 0.5534 ( 10454 PWs) bands (ev): -40.8553 -40.8553 -40.8553 -40.8553 -40.8298 -40.8298 -40.7886 -40.7886 -19.1203 -19.1203 -15.2640 -15.2640 -15.0661 -15.0661 -15.0657 -15.0657 -5.7266 -5.7266 -3.4345 -3.4345 -3.4017 -3.4017 -3.3970 -3.3970 -0.7890 -0.7890 -0.7563 -0.7563 0.6040 0.6040 0.6246 0.6246 0.7561 0.7561 1.8292 1.8292 1.8404 1.8404 2.4618 2.4618 8.4355 8.4355 10.8120 10.8120 11.9576 11.9576 11.9635 11.9635 k =-0.5000 0.2372 0.5534 ( 10454 PWs) bands (ev): -40.8553 -40.8553 -40.8553 -40.8553 -40.8298 -40.8298 -40.7886 -40.7886 -19.1203 -19.1203 -15.2640 -15.2640 -15.0661 -15.0661 -15.0657 -15.0657 -5.7266 -5.7266 -3.4345 -3.4345 -3.4017 -3.4017 -3.3970 -3.3970 -0.7890 -0.7890 -0.7563 -0.7563 0.6040 0.6040 0.6246 0.6246 0.7561 0.7561 1.8292 1.8292 1.8404 1.8404 2.4618 2.4618 8.4355 8.4355 10.8120 10.8120 11.9576 11.9576 11.9635 11.9635 k =-0.4900 0.2324 0.5423 ( 10458 PWs) bands (ev): -40.8554 -40.8554 -40.8553 -40.8553 -40.8297 -40.8297 -40.7886 -40.7886 -19.1202 -19.1202 -15.2641 -15.2641 -15.0660 -15.0660 -15.0656 -15.0656 -5.7267 -5.7267 -3.4360 -3.4350 -3.4017 -3.4016 -3.3975 -3.3963 -0.7882 -0.7881 -0.7569 -0.7567 0.6041 0.6047 0.6250 0.6250 0.7565 0.7571 1.8291 1.8293 1.8403 1.8404 2.4614 2.4615 8.4347 8.4348 10.8130 10.8130 11.9560 11.9569 11.9624 11.9626 k =-0.4800 0.2277 0.5313 ( 10458 PWs) bands (ev): -40.8555 -40.8555 -40.8552 -40.8552 -40.8296 -40.8296 -40.7887 -40.7887 -19.1202 -19.1202 -15.2646 -15.2645 -15.0658 -15.0658 -15.0653 -15.0653 -5.7270 -5.7270 -3.4393 -3.4374 -3.4018 -3.4017 -3.3977 -3.3953 -0.7858 -0.7857 -0.7583 -0.7579 0.6051 0.6063 0.6262 0.6262 0.7583 0.7596 1.8290 1.8292 1.8401 1.8404 2.4605 2.4607 8.4322 8.4325 10.8157 10.8158 11.9517 11.9525 11.9599 11.9609 k =-0.4700 0.2229 0.5202 ( 10452 PWs) bands (ev): -40.8558 -40.8558 -40.8552 -40.8552 -40.8293 -40.8293 -40.7887 -40.7887 -19.1201 -19.1201 -15.2653 -15.2652 -15.0655 -15.0654 -15.0649 -15.0648 -5.7276 -5.7275 -3.4439 -3.4414 -3.4027 -3.4025 -3.3971 -3.3938 -0.7819 -0.7817 -0.7605 -0.7599 0.6068 0.6086 0.6283 0.6283 0.7616 0.7634 1.8287 1.8291 1.8399 1.8403 2.4590 2.4594 8.4281 8.4285 10.8204 10.8205 11.9437 11.9439 11.9576 11.9597 k =-0.4600 0.2182 0.5091 ( 10456 PWs) bands (ev): -40.8562 -40.8562 -40.8550 -40.8550 -40.8289 -40.8289 -40.7888 -40.7888 -19.1200 -19.1200 -15.2662 -15.2662 -15.0650 -15.0650 -15.0642 -15.0641 -5.7283 -5.7282 -3.4496 -3.4466 -3.4043 -3.4042 -3.3960 -3.3923 -0.7771 -0.7771 -0.7625 -0.7620 0.6093 0.6118 0.6311 0.6313 0.7662 0.7686 1.8284 1.8289 1.8396 1.8402 2.4570 2.4574 8.4224 8.4230 10.8268 10.8269 11.9319 11.9320 11.9561 11.9587 k =-0.4500 0.2135 0.4981 ( 10456 PWs) bands (ev): -40.8567 -40.8567 -40.8549 -40.8549 -40.8285 -40.8285 -40.7889 -40.7889 -19.1198 -19.1198 -15.2674 -15.2674 -15.0645 -15.0645 -15.0633 -15.0632 -5.7293 -5.7292 -3.4560 -3.4528 -3.4066 -3.4065 -3.3949 -3.3909 -0.7751 -0.7744 -0.7614 -0.7613 0.6125 0.6156 0.6348 0.6350 0.7722 0.7750 1.8281 1.8286 1.8394 1.8401 2.4544 2.4549 8.4151 8.4158 10.8349 10.8351 11.9170 11.9174 11.9553 11.9582 k =-0.4400 0.2087 0.4870 ( 10462 PWs) bands (ev): -40.8573 -40.8573 -40.8547 -40.8547 -40.8280 -40.8280 -40.7890 -40.7890 -19.1197 -19.1197 -15.2689 -15.2688 -15.0638 -15.0638 -15.0622 -15.0621 -5.7304 -5.7303 -3.4631 -3.4598 -3.4096 -3.4093 -3.3940 -3.3899 -0.7783 -0.7770 -0.7545 -0.7540 0.6165 0.6200 0.6393 0.6397 0.7796 0.7828 1.8277 1.8282 1.8392 1.8400 2.4512 2.4519 8.4062 8.4070 10.8446 10.8448 11.8997 11.9002 11.9552 11.9581 k =-0.4300 0.2040 0.4759 ( 10460 PWs) bands (ev): -40.8580 -40.8580 -40.8545 -40.8545 -40.8274 -40.8274 -40.7892 -40.7892 -19.1195 -19.1195 -15.2706 -15.2705 -15.0631 -15.0631 -15.0609 -15.0608 -5.7318 -5.7317 -3.4708 -3.4673 -3.4131 -3.4126 -3.3935 -3.3893 -0.7840 -0.7824 -0.7441 -0.7434 0.6211 0.6250 0.6445 0.6451 0.7882 0.7917 1.8272 1.8278 1.8391 1.8399 2.4475 2.4483 8.3956 8.3965 10.8557 10.8560 11.8806 11.8812 11.9556 11.9585 k =-0.4200 0.1992 0.4649 ( 10460 PWs) bands (ev): -40.8587 -40.8587 -40.8543 -40.8542 -40.8268 -40.8268 -40.7893 -40.7893 -19.1192 -19.1192 -15.2725 -15.2724 -15.0622 -15.0622 -15.0595 -15.0594 -5.7334 -5.7333 -3.4789 -3.4753 -3.4170 -3.4163 -3.3934 -3.3893 -0.7909 -0.7892 -0.7315 -0.7307 0.6263 0.6306 0.6506 0.6513 0.7980 0.8017 1.8267 1.8272 1.8391 1.8399 2.4433 2.4441 8.3833 8.3843 10.8682 10.8685 11.8601 11.8609 11.9566 11.9593 k =-0.4100 0.1945 0.4538 ( 10452 PWs) bands (ev): -40.8595 -40.8595 -40.8540 -40.8540 -40.8261 -40.8261 -40.7895 -40.7895 -19.1190 -19.1190 -15.2746 -15.2745 -15.0613 -15.0612 -15.0579 -15.0578 -5.7353 -5.7351 -3.4873 -3.4837 -3.4214 -3.4205 -3.3939 -3.3897 -0.7988 -0.7969 -0.7172 -0.7163 0.6321 0.6366 0.6574 0.6581 0.8090 0.8128 1.8261 1.8266 1.8392 1.8401 2.4385 2.4394 8.3694 8.3704 10.8818 10.8820 11.8390 11.8399 11.9578 11.9603 k =-0.4000 0.1897 0.4427 ( 10448 PWs) bands (ev): -40.8603 -40.8603 -40.8537 -40.8537 -40.8254 -40.8254 -40.7897 -40.7897 -19.1187 -19.1187 -15.2768 -15.2768 -15.0602 -15.0602 -15.0562 -15.0561 -5.7373 -5.7371 -3.4961 -3.4925 -3.4261 -3.4251 -3.3950 -3.3907 -0.8075 -0.8054 -0.7011 -0.7001 0.6384 0.6430 0.6648 0.6656 0.8211 0.8249 1.8255 1.8260 1.8395 1.8404 2.4332 2.4343 8.3537 8.3549 10.8963 10.8965 11.8178 11.8188 11.9591 11.9614 k =-0.3900 0.1850 0.4317 ( 10460 PWs) bands (ev): -40.8612 -40.8612 -40.8533 -40.8533 -40.8247 -40.8247 -40.7899 -40.7899 -19.1184 -19.1184 -15.2793 -15.2792 -15.0590 -15.0590 -15.0544 -15.0543 -5.7396 -5.7394 -3.5052 -3.5015 -3.4312 -3.4301 -3.3965 -3.3923 -0.8169 -0.8146 -0.6835 -0.6824 0.6451 0.6497 0.6728 0.6737 0.8342 0.8380 1.8250 1.8253 1.8401 1.8409 2.4275 2.4286 8.3363 8.3376 10.9114 10.9116 11.7972 11.7984 11.9603 11.9622 k =-0.3800 0.1802 0.4206 ( 10460 PWs) bands (ev): -40.8621 -40.8621 -40.8529 -40.8529 -40.8239 -40.8239 -40.7902 -40.7902 -19.1180 -19.1180 -15.2819 -15.2818 -15.0577 -15.0577 -15.0525 -15.0524 -5.7421 -5.7419 -3.5145 -3.5108 -3.4367 -3.4354 -3.3986 -3.3944 -0.8269 -0.8245 -0.6644 -0.6632 0.6523 0.6568 0.6812 0.6821 0.8483 0.8520 1.8244 1.8247 1.8408 1.8417 2.4212 2.4224 8.3172 8.3186 10.9268 10.9270 11.7779 11.7793 11.9609 11.9625 k =-0.3700 0.1755 0.4095 ( 10464 PWs) bands (ev): -40.8630 -40.8630 -40.8526 -40.8526 -40.8231 -40.8231 -40.7904 -40.7904 -19.1177 -19.1177 -15.2846 -15.2845 -15.0564 -15.0564 -15.0505 -15.0504 -5.7449 -5.7446 -3.5239 -3.5202 -3.4423 -3.4409 -3.4013 -3.3970 -0.8374 -0.8349 -0.6438 -0.6425 0.6598 0.6640 0.6901 0.6910 0.8634 0.8669 1.8240 1.8241 1.8418 1.8426 2.4145 2.4158 8.2964 8.2978 10.9423 10.9425 11.7606 11.7622 11.9607 11.9619 k =-0.3600 0.1708 0.3984 ( 10452 PWs) bands (ev): -40.8639 -40.8639 -40.8521 -40.8521 -40.8224 -40.8224 -40.7907 -40.7907 -19.1173 -19.1173 -15.2874 -15.2873 -15.0549 -15.0549 -15.0485 -15.0484 -5.7479 -5.7476 -3.5335 -3.5298 -3.4483 -3.4468 -3.4045 -3.4002 -0.8485 -0.8459 -0.6217 -0.6203 0.6675 0.6715 0.6992 0.7001 0.8794 0.8826 1.8236 1.8236 1.8431 1.8439 2.4074 2.4088 8.2739 8.2753 10.9574 10.9575 11.7459 11.7477 11.9593 11.9601 k =-0.3500 0.1660 0.3874 ( 10450 PWs) bands (ev): -40.8648 -40.8648 -40.8517 -40.8517 -40.8216 -40.8216 -40.7910 -40.7910 -19.1169 -19.1169 -15.2903 -15.2901 -15.0534 -15.0534 -15.0464 -15.0463 -5.7511 -5.7508 -3.5432 -3.5395 -3.4544 -3.4528 -3.4081 -3.4039 -0.8600 -0.8573 -0.5983 -0.5969 0.6755 0.6791 0.7085 0.7093 0.8963 0.8991 1.8233 1.8234 1.8446 1.8454 2.3998 2.4013 8.2496 8.2511 10.9719 10.9719 11.7345 11.7365 11.9563 11.9568 k =-0.3400 0.1613 0.3763 ( 10446 PWs) bands (ev): -40.8658 -40.8658 -40.8512 -40.8512 -40.8208 -40.8208 -40.7913 -40.7913 -19.1165 -19.1165 -15.2932 -15.2931 -15.0518 -15.0518 -15.0443 -15.0442 -5.7546 -5.7543 -3.5529 -3.5492 -3.4607 -3.4590 -3.4123 -3.4080 -0.8718 -0.8690 -0.5737 -0.5721 0.6835 0.6868 0.7178 0.7186 0.9140 0.9164 1.8231 1.8233 1.8464 1.8472 2.3919 2.3935 8.2237 8.2251 10.9853 10.9853 11.7270 11.7292 11.9515 11.9517 k =-0.3300 0.1565 0.3652 ( 10446 PWs) bands (ev): -40.8668 -40.8668 -40.8507 -40.8507 -40.8200 -40.8200 -40.7916 -40.7916 -19.1160 -19.1160 -15.2963 -15.2961 -15.0501 -15.0501 -15.0421 -15.0420 -5.7583 -5.7580 -3.5626 -3.5590 -3.4671 -3.4653 -3.4169 -3.4126 -0.8840 -0.8811 -0.5478 -0.5461 0.6916 0.6944 0.7272 0.7279 0.9324 0.9344 1.8232 1.8235 1.8484 1.8494 2.3836 2.3852 8.1960 8.1975 10.9974 10.9974 11.7237 11.7262 11.9446 11.9446 k =-0.3200 0.1518 0.3542 ( 10428 PWs) bands (ev): -40.8677 -40.8677 -40.8501 -40.8501 -40.8192 -40.8192 -40.7920 -40.7920 -19.1156 -19.1156 -15.2993 -15.2992 -15.0483 -15.0483 -15.0400 -15.0399 -5.7622 -5.7619 -3.5723 -3.5687 -3.4736 -3.4717 -3.4219 -3.4177 -0.8964 -0.8934 -0.5207 -0.5190 0.6995 0.7019 0.7364 0.7371 0.9516 0.9531 1.8235 1.8239 1.8508 1.8518 2.3750 2.3767 8.1668 8.1683 11.0080 11.0081 11.7252 11.7278 11.9353 11.9356 k =-0.3100 0.1470 0.3431 ( 10428 PWs) bands (ev): -40.8687 -40.8687 -40.8496 -40.8496 -40.8184 -40.8184 -40.7924 -40.7924 -19.1151 -19.1151 -15.3024 -15.3023 -15.0465 -15.0465 -15.0378 -15.0377 -5.7664 -5.7660 -3.5819 -3.5783 -3.4801 -3.4782 -3.4273 -3.4231 -0.9090 -0.9060 -0.4926 -0.4908 0.7074 0.7093 0.7454 0.7461 0.9715 0.9725 1.8241 1.8246 1.8534 1.8545 2.3661 2.3678 8.1360 8.1374 11.0171 11.0172 11.7316 11.7344 11.9238 11.9242 k =-0.3000 0.1423 0.3320 ( 10436 PWs) bands (ev): -40.8696 -40.8696 -40.8490 -40.8490 -40.8177 -40.8177 -40.7928 -40.7928 -19.1146 -19.1146 -15.3055 -15.3054 -15.0446 -15.0446 -15.0357 -15.0356 -5.7707 -5.7704 -3.5914 -3.5879 -3.4866 -3.4846 -3.4330 -3.4289 -0.9217 -0.9187 -0.4635 -0.4616 0.7149 0.7164 0.7542 0.7548 0.9920 0.9925 1.8250 1.8255 1.8563 1.8575 2.3569 2.3587 8.1036 8.1051 11.0248 11.0248 11.7430 11.7459 11.9101 11.9106 k =-0.2900 0.1376 0.3210 ( 10436 PWs) bands (ev): -40.8706 -40.8706 -40.8484 -40.8484 -40.8169 -40.8169 -40.7932 -40.7932 -19.1142 -19.1142 -15.3087 -15.3085 -15.0426 -15.0426 -15.0336 -15.0334 -5.7753 -5.7750 -3.6008 -3.5973 -3.4931 -3.4911 -3.4391 -3.4349 -0.9346 -0.9315 -0.4334 -0.4315 0.7222 0.7232 0.7625 0.7632 1.0130 1.0131 1.8263 1.8268 1.8595 1.8608 2.3475 2.3493 8.0699 8.0713 11.0311 11.0311 11.7591 11.7622 11.8942 11.8947 k =-0.2800 0.1328 0.3099 ( 10438 PWs) bands (ev): -40.8715 -40.8715 -40.8478 -40.8478 -40.8162 -40.8162 -40.7936 -40.7936 -19.1137 -19.1137 -15.3118 -15.3116 -15.0407 -15.0406 -15.0314 -15.0313 -5.7801 -5.7798 -3.6100 -3.6066 -3.4995 -3.4974 -3.4454 -3.4413 -0.9475 -0.9444 -0.4026 -0.4005 0.7291 0.7297 0.7705 0.7711 1.0341 1.0347 1.8279 1.8285 1.8630 1.8644 2.3379 2.3398 8.0348 8.0361 11.0363 11.0364 11.7799 11.7831 11.8762 11.8768 k =-0.2700 0.1281 0.2988 ( 10442 PWs) bands (ev): -40.8724 -40.8724 -40.8472 -40.8472 -40.8155 -40.8155 -40.7940 -40.7940 -19.1132 -19.1132 -15.3148 -15.3147 -15.0386 -15.0386 -15.0294 -15.0292 -5.7851 -5.7847 -3.6191 -3.6156 -3.5058 -3.5037 -3.4520 -3.4479 -0.9603 -0.9572 -0.3710 -0.3688 0.7356 0.7358 0.7780 0.7786 1.0557 1.0569 1.8299 1.8305 1.8666 1.8682 2.3281 2.3300 7.9985 7.9998 11.0409 11.0410 11.8049 11.8082 11.8563 11.8569 k =-0.2600 0.1233 0.2878 ( 10452 PWs) bands (ev): -40.8733 -40.8733 -40.8465 -40.8465 -40.8148 -40.8148 -40.7945 -40.7945 -19.1127 -19.1127 -15.3179 -15.3178 -15.0366 -15.0366 -15.0273 -15.0272 -5.7902 -5.7898 -3.6279 -3.6245 -3.5120 -3.5099 -3.4588 -3.4548 -0.9732 -0.9701 -0.3387 -0.3365 0.7414 0.7416 0.7849 0.7855 1.0778 1.0794 1.8323 1.8329 1.8705 1.8722 2.3182 2.3201 7.9611 7.9624 11.0451 11.0453 11.8331 11.8349 11.8354 11.8375 k =-0.2500 0.1186 0.2767 ( 10466 PWs) bands (ev): -40.8742 -40.8742 -40.8459 -40.8459 -40.8141 -40.8141 -40.7949 -40.7949 -19.1122 -19.1122 -15.3209 -15.3208 -15.0345 -15.0345 -15.0254 -15.0252 -5.7955 -5.7951 -3.6365 -3.6331 -3.5180 -3.5159 -3.4657 -3.4618 -0.9859 -0.9828 -0.3059 -0.3036 0.7466 0.7472 0.7912 0.7919 1.1002 1.1023 1.8351 1.8357 1.8745 1.8764 2.3082 2.3102 7.9228 7.9240 11.0494 11.0497 11.8117 11.8123 11.8659 11.8692 k =-0.2400 0.1138 0.2656 ( 10468 PWs) bands (ev): -40.8751 -40.8751 -40.8452 -40.8452 -40.8134 -40.8134 -40.7954 -40.7954 -19.1118 -19.1118 -15.3239 -15.3238 -15.0324 -15.0324 -15.0234 -15.0233 -5.8009 -5.8005 -3.6448 -3.6415 -3.5238 -3.5217 -3.4728 -3.4689 -0.9985 -0.9955 -0.2727 -0.2703 0.7513 0.7522 0.7969 0.7977 1.1229 1.1254 1.8382 1.8389 1.8786 1.8807 2.2981 2.3002 7.8837 7.8848 11.0541 11.0545 11.7876 11.7881 11.9009 11.9043 k =-0.2300 0.1091 0.2546 ( 10469 PWs) bands (ev): -40.8759 -40.8759 -40.8445 -40.8445 -40.8128 -40.8128 -40.7959 -40.7959 -19.1113 -19.1113 -15.3268 -15.3267 -15.0303 -15.0303 -15.0216 -15.0214 -5.8064 -5.8060 -3.6528 -3.6496 -3.5294 -3.5273 -3.4800 -3.4761 -1.0109 -1.0079 -0.2391 -0.2367 0.7556 0.7567 0.8020 0.8028 1.1458 1.1488 1.8418 1.8424 1.8828 1.8852 2.2881 2.2901 7.8440 7.8451 11.0595 11.0601 11.7626 11.7631 11.9383 11.9417 k =-0.2200 0.1044 0.2435 ( 10473 PWs) bands (ev): -40.8768 -40.8768 -40.8438 -40.8438 -40.8122 -40.8122 -40.7964 -40.7964 -19.1108 -19.1108 -15.3296 -15.3295 -15.0282 -15.0282 -15.0197 -15.0196 -5.8119 -5.8116 -3.6606 -3.6574 -3.5348 -3.5327 -3.4872 -3.4834 -1.0231 -1.0202 -0.2053 -0.2028 0.7593 0.7607 0.8064 0.8072 1.1689 1.1723 1.8456 1.8462 1.8871 1.8896 2.2781 2.2801 7.8038 7.8048 11.0659 11.0666 11.7370 11.7374 11.9777 11.9811 k =-0.2100 0.0996 0.2324 ( 10461 PWs) bands (ev): -40.8776 -40.8776 -40.8431 -40.8431 -40.8116 -40.8116 -40.7969 -40.7969 -19.1103 -19.1103 -15.3324 -15.3323 -15.0261 -15.0261 -15.0180 -15.0179 -5.8176 -5.8172 -3.6680 -3.6649 -3.5400 -3.5379 -3.4944 -3.4907 -1.0351 -1.0322 -0.1713 -0.1688 0.7626 0.7642 0.8100 0.8109 1.1920 1.1958 1.8498 1.8504 1.8914 1.8941 2.2681 2.2702 7.7634 7.7643 11.0735 11.0743 11.7110 11.7114 12.0187 12.0220 k =-0.2000 0.0949 0.2214 ( 10461 PWs) bands (ev): -40.8783 -40.8783 -40.8424 -40.8424 -40.8110 -40.8110 -40.7974 -40.7974 -19.1099 -19.1099 -15.3350 -15.3349 -15.0241 -15.0241 -15.0163 -15.0162 -5.8232 -5.8229 -3.6751 -3.6720 -3.5449 -3.5429 -3.5016 -3.4980 -1.0468 -1.0439 -0.1374 -0.1348 0.7654 0.7671 0.8130 0.8139 1.2152 1.2192 1.8544 1.8549 1.8956 1.8985 2.2583 2.2603 7.7229 7.7238 11.0823 11.0833 11.6850 11.6854 12.0608 12.0640 k =-0.1900 0.0901 0.2103 ( 10457 PWs) bands (ev): -40.8791 -40.8791 -40.8417 -40.8417 -40.8104 -40.8104 -40.7980 -40.7980 -19.1094 -19.1094 -15.3376 -15.3375 -15.0220 -15.0220 -15.0147 -15.0146 -5.8289 -5.8286 -3.6818 -3.6788 -3.5495 -3.5476 -3.5088 -3.5052 -1.0581 -1.0554 -0.1036 -0.1010 0.7678 0.7696 0.8152 0.8162 1.2382 1.2425 1.8591 1.8596 1.8998 1.9028 2.2486 2.2507 7.6826 7.6834 11.0926 11.0937 11.6592 11.6595 12.1035 12.1068 k =-0.1800 0.0854 0.1992 ( 10457 PWs) bands (ev): -40.8798 -40.8798 -40.8410 -40.8410 -40.8099 -40.8099 -40.7985 -40.7985 -19.1090 -19.1090 -15.3401 -15.3400 -15.0201 -15.0200 -15.0132 -15.0131 -5.8345 -5.8342 -3.6882 -3.6853 -3.5539 -3.5520 -3.5158 -3.5124 -1.0691 -1.0664 -0.0700 -0.0674 0.7698 0.7717 0.8167 0.8178 1.2610 1.2656 1.8641 1.8646 1.9038 1.9070 2.2391 2.2412 7.6426 7.6434 11.1044 11.1055 11.6337 11.6340 12.1466 12.1497 k =-0.1700 0.0806 0.1882 ( 10457 PWs) bands (ev): -40.8805 -40.8805 -40.8403 -40.8403 -40.8094 -40.8094 -40.7990 -40.7990 -19.1086 -19.1086 -15.3425 -15.3424 -15.0181 -15.0181 -15.0117 -15.0116 -5.8401 -5.8398 -3.6943 -3.6914 -3.5580 -3.5562 -3.5227 -3.5193 -1.0797 -1.0771 -0.0368 -0.0342 0.7714 0.7734 0.8175 0.8186 1.2836 1.2883 1.8693 1.8697 1.9076 1.9109 2.2299 2.2319 7.6033 7.6039 11.1176 11.1188 11.6088 11.6090 12.1895 12.1926 k =-0.1600 0.0759 0.1771 ( 10471 PWs) bands (ev): -40.8811 -40.8811 -40.8396 -40.8396 -40.8090 -40.8090 -40.7996 -40.7996 -19.1082 -19.1082 -15.3447 -15.3447 -15.0162 -15.0162 -15.0103 -15.0102 -5.8456 -5.8453 -3.6999 -3.6972 -3.5618 -3.5601 -3.5294 -3.5262 -1.0899 -1.0874 -0.0041 -0.0014 0.7726 0.7747 0.8176 0.8188 1.3057 1.3106 1.8747 1.8749 1.9112 1.9147 2.2209 2.2229 7.5646 7.5653 11.1322 11.1335 11.5847 11.5849 12.2318 12.2347 k =-0.1500 0.0712 0.1660 ( 10471 PWs) bands (ev): -40.8817 -40.8817 -40.8389 -40.8389 -40.8085 -40.8085 -40.8001 -40.8001 -19.1078 -19.1078 -15.3469 -15.3468 -15.0144 -15.0144 -15.0090 -15.0089 -5.8509 -5.8506 -3.7052 -3.7026 -3.5654 -3.5637 -3.5359 -3.5328 -1.0996 -1.0973 0.0279 0.0306 0.7735 0.7756 0.8170 0.8182 1.3274 1.3324 1.8801 1.8803 1.9145 1.9181 2.2122 2.2142 7.5270 7.5276 11.1482 11.1496 11.5615 11.5616 12.2730 12.2757 k =-0.1400 0.0664 0.1550 ( 10477 PWs) bands (ev): -40.8823 -40.8823 -40.8382 -40.8382 -40.8081 -40.8081 -40.8006 -40.8006 -19.1075 -19.1075 -15.3489 -15.3489 -15.0126 -15.0126 -15.0078 -15.0077 -5.8561 -5.8558 -3.7101 -3.7076 -3.5687 -3.5671 -3.5421 -3.5392 -1.1088 -1.1066 0.0592 0.0619 0.7742 0.7762 0.8159 0.8171 1.3484 1.3535 1.8855 1.8856 1.9176 1.9213 2.2039 2.2058 7.4906 7.4911 11.1655 11.1669 11.5393 11.5394 12.3124 12.3149 k =-0.1300 0.0617 0.1439 ( 10477 PWs) bands (ev): -40.8829 -40.8829 -40.8376 -40.8376 -40.8077 -40.8077 -40.8011 -40.8011 -19.1071 -19.1071 -15.3509 -15.3508 -15.0109 -15.0109 -15.0067 -15.0066 -5.8611 -5.8608 -3.7147 -3.7123 -3.5717 -3.5702 -3.5481 -3.5453 -1.1175 -1.1155 0.0895 0.0922 0.7745 0.7766 0.8141 0.8153 1.3688 1.3738 1.8909 1.8909 1.9204 1.9242 2.1960 2.1979 7.4557 7.4561 11.1838 11.1852 11.5183 11.5184 12.3493 12.3517 k =-0.1200 0.0569 0.1328 ( 10469 PWs) bands (ev): -40.8834 -40.8834 -40.8369 -40.8369 -40.8073 -40.8073 -40.8016 -40.8016 -19.1068 -19.1068 -15.3527 -15.3526 -15.0094 -15.0093 -15.0056 -15.0055 -5.8658 -5.8656 -3.7189 -3.7166 -3.5745 -3.5731 -3.5538 -3.5511 -1.1257 -1.1238 0.1188 0.1214 0.7746 0.7767 0.8119 0.8130 1.3883 1.3933 1.8961 1.8962 1.9229 1.9267 2.1885 2.1903 7.4223 7.4227 11.2030 11.2045 11.4986 11.4987 12.3831 12.3852 k =-0.1100 0.0522 0.1217 ( 10485 PWs) bands (ev): -40.8838 -40.8838 -40.8363 -40.8363 -40.8070 -40.8070 -40.8021 -40.8021 -19.1065 -19.1065 -15.3543 -15.3543 -15.0079 -15.0078 -15.0046 -15.0046 -5.8703 -5.8701 -3.7227 -3.7206 -3.5770 -3.5757 -3.5591 -3.5566 -1.1334 -1.1316 0.1468 0.1493 0.7746 0.7766 0.8091 0.8103 1.4070 1.4118 1.9011 1.9013 1.9251 1.9289 2.1815 2.1832 7.3908 7.3912 11.2229 11.2243 11.4802 11.4803 12.4128 12.4145 k =-0.1000 0.0474 0.1107 ( 10481 PWs) bands (ev): -40.8843 -40.8843 -40.8357 -40.8357 -40.8067 -40.8067 -40.8026 -40.8026 -19.1062 -19.1062 -15.3558 -15.3558 -15.0065 -15.0065 -15.0037 -15.0037 -5.8746 -5.8744 -3.7261 -3.7241 -3.5792 -3.5780 -3.5641 -3.5617 -1.1404 -1.1388 0.1734 0.1759 0.7743 0.7763 0.8061 0.8071 1.4245 1.4292 1.9060 1.9063 1.9270 1.9308 2.1749 2.1765 7.3613 7.3617 11.2432 11.2446 11.4632 11.4633 12.4374 12.4388 k =-0.0900 0.0427 0.0996 ( 10487 PWs) bands (ev): -40.8847 -40.8847 -40.8352 -40.8352 -40.8064 -40.8064 -40.8030 -40.8030 -19.1060 -19.1060 -15.3572 -15.3572 -15.0052 -15.0052 -15.0029 -15.0029 -5.8785 -5.8783 -3.7292 -3.7274 -3.5812 -3.5802 -3.5686 -3.5664 -1.1468 -1.1453 0.1984 0.2008 0.7739 0.7759 0.8028 0.8037 1.4410 1.4454 1.9105 1.9109 1.9286 1.9324 2.1689 2.1704 7.3341 7.3343 11.2635 11.2649 11.4477 11.4478 12.4560 12.4571 k =-0.0800 0.0379 0.0885 ( 10497 PWs) bands (ev): -40.8850 -40.8850 -40.8347 -40.8347 -40.8062 -40.8062 -40.8035 -40.8035 -19.1057 -19.1057 -15.3585 -15.3584 -15.0040 -15.0040 -15.0022 -15.0021 -5.8821 -5.8819 -3.7319 -3.7303 -3.5830 -3.5821 -3.5727 -3.5707 -1.1526 -1.1513 0.2216 0.2238 0.7734 0.7753 0.7993 0.8001 1.4561 1.4603 1.9146 1.9152 1.9300 1.9336 2.1635 2.1648 7.3092 7.3094 11.2836 11.2849 11.4338 11.4338 12.4682 12.4689 k =-0.0700 0.0332 0.0775 ( 10489 PWs) bands (ev): -40.8853 -40.8853 -40.8342 -40.8342 -40.8059 -40.8059 -40.8038 -40.8038 -19.1055 -19.1055 -15.3596 -15.3595 -15.0030 -15.0030 -15.0015 -15.0015 -5.8853 -5.8851 -3.7343 -3.7328 -3.5846 -3.5838 -3.5763 -3.5746 -1.1578 -1.1566 0.2429 0.2449 0.7727 0.7745 0.7959 0.7965 1.4699 1.4737 1.9184 1.9191 1.9311 1.9347 2.1586 2.1598 7.2868 7.2870 11.3029 11.3041 11.4214 11.4214 12.4739 12.4743 k =-0.0600 0.0285 0.0664 ( 10483 PWs) bands (ev): -40.8856 -40.8856 -40.8338 -40.8338 -40.8057 -40.8057 -40.8042 -40.8042 -19.1054 -19.1054 -15.3606 -15.3605 -15.0021 -15.0021 -15.0010 -15.0009 -5.8881 -5.8880 -3.7363 -3.7350 -3.5860 -3.5853 -3.5795 -3.5779 -1.1623 -1.1613 0.2619 0.2638 0.7718 0.7736 0.7927 0.7932 1.4822 1.4855 1.9217 1.9225 1.9321 1.9355 2.1543 2.1554 7.2671 7.2673 11.3211 11.3222 11.4106 11.4106 12.4740 12.4742 k =-0.0500 0.0237 0.0553 ( 10479 PWs) bands (ev): -40.8858 -40.8858 -40.8334 -40.8334 -40.8056 -40.8056 -40.8045 -40.8045 -19.1052 -19.1052 -15.3614 -15.3613 -15.0013 -15.0013 -15.0005 -15.0005 -5.8905 -5.8904 -3.7379 -3.7369 -3.5872 -3.5867 -3.5820 -3.5807 -1.1661 -1.1652 0.2786 0.2802 0.7709 0.7726 0.7898 0.7901 1.4928 1.4957 1.9245 1.9253 1.9331 1.9361 2.1507 2.1516 7.2502 7.2503 11.3377 11.3387 11.4014 11.4014 12.4700 12.4701 k =-0.0400 0.0190 0.0443 ( 10483 PWs) bands (ev): -40.8860 -40.8860 -40.8331 -40.8331 -40.8054 -40.8054 -40.8047 -40.8047 -19.1051 -19.1051 -15.3620 -15.3620 -15.0007 -15.0007 -15.0001 -15.0001 -5.8925 -5.8924 -3.7393 -3.7384 -3.5883 -3.5879 -3.5841 -3.5830 -1.1692 -1.1685 0.2927 0.2940 0.7698 0.7713 0.7875 0.7876 1.5018 1.5042 1.9266 1.9274 1.9341 1.9366 2.1477 2.1484 7.2362 7.2363 11.3521 11.3530 11.3939 11.3939 12.4636 12.4638 k =-0.0300 0.0142 0.0332 ( 10499 PWs) bands (ev): -40.8862 -40.8862 -40.8328 -40.8328 -40.8053 -40.8053 -40.8049 -40.8049 -19.1050 -19.1050 -15.3626 -15.3625 -15.0002 -15.0002 -14.9998 -14.9997 -5.8941 -5.8940 -3.7403 -3.7396 -3.5893 -3.5889 -3.5855 -3.5847 -1.1716 -1.1711 0.3039 0.3049 0.7688 0.7701 0.7856 0.7857 1.5089 1.5107 1.9283 1.9289 1.9350 1.9370 2.1454 2.1459 7.2253 7.2254 11.3640 11.3646 11.3881 11.3881 12.4567 12.4569 k =-0.0200 0.0095 0.0221 ( 10503 PWs) bands (ev): -40.8863 -40.8863 -40.8327 -40.8327 -40.8053 -40.8053 -40.8051 -40.8051 -19.1049 -19.1049 -15.3629 -15.3629 -14.9999 -14.9999 -14.9995 -14.9995 -5.8952 -5.8952 -3.7410 -3.7405 -3.5900 -3.5898 -3.5864 -3.5859 -1.1733 -1.1730 0.3121 0.3128 0.7680 0.7689 0.7844 0.7844 1.5141 1.5154 1.9294 1.9297 1.9360 1.9373 2.1437 2.1441 7.2174 7.2175 11.3728 11.3732 11.3839 11.3840 12.4508 12.4509 k =-0.0100 0.0047 0.0111 ( 10507 PWs) bands (ev): -40.8864 -40.8864 -40.8326 -40.8326 -40.8052 -40.8052 -40.8052 -40.8052 -19.1049 -19.1049 -15.3632 -15.3632 -14.9997 -14.9997 -14.9993 -14.9993 -5.8959 -5.8959 -3.7413 -3.7411 -3.5905 -3.5903 -3.5868 -3.5866 -1.1743 -1.1742 0.3172 0.3176 0.7676 0.7680 0.7836 0.7836 1.5175 1.5181 1.9300 1.9302 1.9368 1.9374 2.1428 2.1430 7.2127 7.2127 11.3779 11.3781 11.3818 11.3819 12.4468 12.4469 k = 0.0000 0.0000 0.0000 ( 10501 PWs) bands (ev): -40.8864 -40.8864 -40.8325 -40.8325 -40.8052 -40.8052 -40.8052 -40.8052 -19.1049 -19.1049 -15.3632 -15.3632 -14.9997 -14.9997 -14.9993 -14.9993 -5.8961 -5.8961 -3.7414 -3.7414 -3.5906 -3.5906 -3.5869 -3.5869 -1.1746 -1.1746 0.3190 0.3190 0.7675 0.7675 0.7834 0.7834 1.5188 1.5188 1.9302 1.9302 1.9372 1.9372 2.1425 2.1425 7.2111 7.2111 11.3790 11.3790 11.3818 11.3818 12.4454 12.4454 k = 0.0000 0.0000 0.0000 ( 10501 PWs) bands (ev): -40.8864 -40.8864 -40.8325 -40.8325 -40.8052 -40.8052 -40.8052 -40.8052 -19.1049 -19.1049 -15.3632 -15.3632 -14.9997 -14.9997 -14.9993 -14.9993 -5.8961 -5.8961 -3.7414 -3.7414 -3.5906 -3.5906 -3.5869 -3.5869 -1.1746 -1.1746 0.3190 0.3190 0.7675 0.7675 0.7834 0.7834 1.5188 1.5188 1.9302 1.9302 1.9372 1.9372 2.1425 2.1425 7.2111 7.2111 11.3790 11.3790 11.3818 11.3818 12.4454 12.4454 k = 0.0067 0.0142 0.0000 ( 10517 PWs) bands (ev): -40.8864 -40.8864 -40.8325 -40.8325 -40.8052 -40.8052 -40.8052 -40.8052 -19.1048 -19.1048 -15.3635 -15.3635 -14.9997 -14.9997 -14.9993 -14.9993 -5.8956 -5.8956 -3.7415 -3.7415 -3.5907 -3.5907 -3.5870 -3.5870 -1.1731 -1.1731 0.3193 0.3193 0.7678 0.7678 0.7837 0.7837 1.5172 1.5172 1.9305 1.9305 1.9375 1.9375 2.1416 2.1416 7.2128 7.2128 11.3792 11.3792 11.3819 11.3819 12.4392 12.4392 k = 0.0134 0.0283 0.0000 ( 10513 PWs) bands (ev): -40.8863 -40.8863 -40.8325 -40.8325 -40.8053 -40.8053 -40.8053 -40.8053 -19.1045 -19.1045 -15.3643 -15.3643 -14.9999 -14.9999 -14.9995 -14.9995 -5.8940 -5.8940 -3.7420 -3.7420 -3.5911 -3.5911 -3.5874 -3.5874 -1.1687 -1.1687 0.3200 0.3200 0.7687 0.7687 0.7846 0.7846 1.5124 1.5124 1.9313 1.9313 1.9384 1.9384 2.1386 2.1386 7.2181 7.2181 11.3796 11.3796 11.3823 11.3823 12.4207 12.4207 k = 0.0201 0.0425 0.0000 ( 10489 PWs) bands (ev): -40.8861 -40.8861 -40.8324 -40.8324 -40.8054 -40.8054 -40.8054 -40.8054 -19.1041 -19.1041 -15.3656 -15.3656 -15.0001 -15.0001 -14.9997 -14.9997 -5.8913 -5.8913 -3.7428 -3.7428 -3.5916 -3.5916 -3.5879 -3.5879 -1.1614 -1.1614 0.3213 0.3213 0.7701 0.7701 0.7861 0.7861 1.5044 1.5044 1.9327 1.9327 1.9399 1.9399 2.1337 2.1337 7.2268 7.2268 11.3802 11.3802 11.3830 11.3830 12.3907 12.3907 k = 0.0269 0.0566 0.0000 ( 10493 PWs) bands (ev): -40.8859 -40.8859 -40.8322 -40.8322 -40.8056 -40.8056 -40.8056 -40.8056 -19.1035 -19.1035 -15.3675 -15.3675 -15.0005 -15.0005 -15.0001 -15.0001 -5.8875 -5.8875 -3.7438 -3.7438 -3.5924 -3.5924 -3.5887 -3.5887 -1.1511 -1.1511 0.3230 0.3230 0.7721 0.7721 0.7882 0.7882 1.4932 1.4932 1.9347 1.9347 1.9420 1.9420 2.1269 2.1269 7.2390 7.2390 11.3811 11.3811 11.3838 11.3838 12.3501 12.3501 k = 0.0336 0.0708 0.0000 ( 10493 PWs) bands (ev): -40.8857 -40.8857 -40.8321 -40.8321 -40.8057 -40.8057 -40.8057 -40.8057 -19.1028 -19.1028 -15.3698 -15.3698 -15.0009 -15.0009 -15.0005 -15.0005 -5.8827 -5.8827 -3.7452 -3.7452 -3.5934 -3.5934 -3.5897 -3.5897 -1.1380 -1.1380 0.3252 0.3252 0.7745 0.7745 0.7908 0.7908 1.4790 1.4790 1.9372 1.9372 1.9448 1.9448 2.1183 2.1183 7.2545 7.2545 11.3821 11.3821 11.3848 11.3848 12.3001 12.3001 k = 0.0403 0.0849 0.0000 ( 10485 PWs) bands (ev): -40.8854 -40.8854 -40.8319 -40.8319 -40.8060 -40.8060 -40.8060 -40.8060 -19.1018 -19.1018 -15.3727 -15.3727 -15.0014 -15.0014 -15.0011 -15.0011 -5.8769 -5.8769 -3.7468 -3.7468 -3.5946 -3.5946 -3.5909 -3.5909 -1.1220 -1.1220 0.3278 0.3278 0.7773 0.7773 0.7938 0.7938 1.4617 1.4617 1.9404 1.9404 1.9483 1.9483 2.1079 2.1079 7.2735 7.2735 11.3833 11.3833 11.3860 11.3860 12.2420 12.2420 k = 0.0470 0.0991 0.0000 ( 10509 PWs) bands (ev): -40.8851 -40.8851 -40.8317 -40.8317 -40.8063 -40.8063 -40.8063 -40.8063 -19.1008 -19.1008 -15.3759 -15.3759 -15.0021 -15.0021 -15.0017 -15.0017 -5.8702 -5.8702 -3.7486 -3.7486 -3.5959 -3.5959 -3.5922 -3.5922 -1.1033 -1.1033 0.3307 0.3307 0.7804 0.7804 0.7971 0.7971 1.4414 1.4414 1.9444 1.9444 1.9525 1.9525 2.0957 2.0957 7.2957 7.2957 11.3845 11.3845 11.3871 11.3871 12.1769 12.1769 k = 0.0537 0.1132 0.0000 ( 10509 PWs) bands (ev): -40.8846 -40.8846 -40.8314 -40.8314 -40.8066 -40.8066 -40.8066 -40.8066 -19.0996 -19.0996 -15.3797 -15.3797 -15.0028 -15.0028 -15.0024 -15.0024 -5.8624 -5.8624 -3.7506 -3.7506 -3.5974 -3.5974 -3.5937 -3.5937 -1.0818 -1.0818 0.3340 0.3340 0.7837 0.7837 0.8007 0.8007 1.4182 1.4182 1.9490 1.9490 1.9575 1.9575 2.0820 2.0820 7.3211 7.3211 11.3856 11.3856 11.3882 11.3882 12.1062 12.1062 k = 0.0604 0.1274 0.0000 ( 10501 PWs) bands (ev): -40.8842 -40.8842 -40.8311 -40.8311 -40.8070 -40.8070 -40.8070 -40.8070 -19.0983 -19.0983 -15.3838 -15.3838 -15.0036 -15.0036 -15.0032 -15.0032 -5.8538 -5.8538 -3.7529 -3.7529 -3.5991 -3.5991 -3.5953 -3.5953 -1.0577 -1.0577 0.3375 0.3375 0.7871 0.7871 0.8044 0.8044 1.3922 1.3922 1.9545 1.9545 1.9633 1.9633 2.0669 2.0669 7.3496 7.3496 11.3865 11.3865 11.3891 11.3891 12.0309 12.0309 k = 0.0671 0.1415 0.0000 ( 10509 PWs) bands (ev): -40.8837 -40.8837 -40.8307 -40.8307 -40.8074 -40.8074 -40.8074 -40.8074 -19.0968 -19.0968 -15.3883 -15.3883 -15.0045 -15.0045 -15.0041 -15.0041 -5.8443 -5.8443 -3.7552 -3.7552 -3.6008 -3.6008 -3.5970 -3.5970 -1.0310 -1.0310 0.3412 0.3412 0.7905 0.7905 0.8082 0.8082 1.3635 1.3635 1.9608 1.9608 1.9700 1.9700 2.0504 2.0504 7.3812 7.3812 11.3871 11.3871 11.3896 11.3896 11.9519 11.9519 k = 0.0738 0.1557 0.0000 ( 10517 PWs) bands (ev): -40.8831 -40.8831 -40.8304 -40.8304 -40.8078 -40.8078 -40.8078 -40.8078 -19.0952 -19.0952 -15.3931 -15.3931 -15.0055 -15.0055 -15.0051 -15.0051 -5.8339 -5.8339 -3.7577 -3.7577 -3.6026 -3.6026 -3.5989 -3.5989 -1.0018 -1.0018 0.3451 0.3451 0.7938 0.7938 0.8118 0.8118 1.3321 1.3321 1.9679 1.9679 1.9777 1.9777 2.0328 2.0328 7.4157 7.4157 11.3872 11.3872 11.3897 11.3897 11.8700 11.8700 k = 0.0806 0.1698 0.0000 ( 10517 PWs) bands (ev): -40.8825 -40.8825 -40.8300 -40.8300 -40.8083 -40.8083 -40.8083 -40.8083 -19.0936 -19.0936 -15.3982 -15.3982 -15.0065 -15.0065 -15.0061 -15.0061 -5.8228 -5.8228 -3.7602 -3.7602 -3.6045 -3.6045 -3.6007 -3.6007 -0.9702 -0.9702 0.3489 0.3489 0.7969 0.7969 0.8152 0.8152 1.2982 1.2982 1.9756 1.9756 1.9863 1.9863 2.0144 2.0144 7.4531 7.4531 11.3867 11.3867 11.3892 11.3892 11.7860 11.7860 k = 0.0873 0.1840 0.0000 ( 10509 PWs) bands (ev): -40.8819 -40.8819 -40.8295 -40.8295 -40.8088 -40.8088 -40.8088 -40.8088 -19.0918 -19.0918 -15.4036 -15.4036 -15.0077 -15.0077 -15.0073 -15.0073 -5.8110 -5.8110 -3.7628 -3.7628 -3.6064 -3.6064 -3.6026 -3.6026 -0.9362 -0.9362 0.3527 0.3527 0.7996 0.7996 0.8183 0.8183 1.2620 1.2620 1.9821 1.9821 1.9956 1.9956 1.9978 1.9978 7.4931 7.4931 11.3854 11.3854 11.3877 11.3877 11.7005 11.7005 k = 0.0940 0.1981 0.0000 ( 10521 PWs) bands (ev): -40.8812 -40.8812 -40.8291 -40.8291 -40.8094 -40.8094 -40.8094 -40.8094 -19.0900 -19.0900 -15.4092 -15.4092 -15.0088 -15.0088 -15.0084 -15.0084 -5.7985 -5.7985 -3.7654 -3.7654 -3.6084 -3.6084 -3.6045 -3.6045 -0.9001 -0.9001 0.3562 0.3562 0.8019 0.8019 0.8209 0.8209 1.2235 1.2235 1.9712 1.9712 1.9982 1.9982 2.0065 2.0065 7.5358 7.5358 11.3830 11.3830 11.3853 11.3853 11.6138 11.6138 k = 0.1007 0.2123 0.0000 ( 10513 PWs) bands (ev): -40.8805 -40.8805 -40.8286 -40.8286 -40.8100 -40.8100 -40.8100 -40.8100 -19.0881 -19.0881 -15.4150 -15.4150 -15.0101 -15.0101 -15.0097 -15.0097 -5.7854 -5.7854 -3.7679 -3.7679 -3.6103 -3.6103 -3.6064 -3.6064 -0.8619 -0.8619 0.3595 0.3595 0.8037 0.8037 0.8230 0.8230 1.1828 1.1828 1.9513 1.9513 2.0086 2.0086 2.0182 2.0182 7.5810 7.5810 11.3793 11.3793 11.3815 11.3815 11.5265 11.5265 k = 0.1074 0.2264 0.0000 ( 10497 PWs) bands (ev): -40.8797 -40.8797 -40.8280 -40.8280 -40.8106 -40.8106 -40.8106 -40.8106 -19.0861 -19.0861 -15.4208 -15.4208 -15.0114 -15.0114 -15.0110 -15.0110 -5.7718 -5.7718 -3.7704 -3.7704 -3.6121 -3.6121 -3.6082 -3.6082 -0.8217 -0.8217 0.3622 0.3622 0.8049 0.8049 0.8245 0.8245 1.1402 1.1402 1.9304 1.9304 2.0207 2.0207 2.0309 2.0309 7.6286 7.6286 11.3741 11.3741 11.3763 11.3763 11.4389 11.4389 k = 0.1141 0.2406 0.0000 ( 10497 PWs) bands (ev): -40.8788 -40.8788 -40.8275 -40.8275 -40.8113 -40.8113 -40.8113 -40.8113 -19.0841 -19.0841 -15.4268 -15.4268 -15.0128 -15.0128 -15.0124 -15.0124 -5.7578 -5.7578 -3.7727 -3.7727 -3.6138 -3.6138 -3.6100 -3.6100 -0.7796 -0.7796 0.3644 0.3644 0.8053 0.8053 0.8252 0.8252 1.0957 1.0957 1.9093 1.9093 2.0339 2.0339 2.0445 2.0445 7.6784 7.6784 11.3510 11.3510 11.3675 11.3675 11.3697 11.3697 k = 0.1208 0.2547 0.0000 ( 10481 PWs) bands (ev): -40.8780 -40.8780 -40.8269 -40.8269 -40.8120 -40.8120 -40.8120 -40.8120 -19.0821 -19.0821 -15.4327 -15.4327 -15.0142 -15.0142 -15.0138 -15.0138 -5.7433 -5.7433 -3.7749 -3.7749 -3.6155 -3.6155 -3.6116 -3.6116 -0.7359 -0.7359 0.3658 0.3658 0.8049 0.8049 0.8252 0.8252 1.0495 1.0495 1.8883 1.8883 2.0482 2.0482 2.0592 2.0592 7.7303 7.7303 11.2636 11.2636 11.3589 11.3589 11.3610 11.3610 k = 0.1275 0.2689 0.0000 ( 10489 PWs) bands (ev): -40.8771 -40.8771 -40.8263 -40.8263 -40.8127 -40.8127 -40.8127 -40.8127 -19.0801 -19.0801 -15.4386 -15.4386 -15.0157 -15.0157 -15.0153 -15.0153 -5.7286 -5.7286 -3.7770 -3.7770 -3.6170 -3.6170 -3.6131 -3.6131 -0.6905 -0.6905 0.3663 0.3663 0.8037 0.8037 0.8244 0.8244 1.0019 1.0019 1.8678 1.8678 2.0635 2.0635 2.0747 2.0747 7.7843 7.7843 11.1764 11.1764 11.3484 11.3484 11.3505 11.3505 k = 0.1343 0.2830 0.0000 ( 10489 PWs) bands (ev): -40.8761 -40.8761 -40.8256 -40.8256 -40.8135 -40.8135 -40.8135 -40.8135 -19.0781 -19.0781 -15.4445 -15.4445 -15.0172 -15.0172 -15.0168 -15.0168 -5.7136 -5.7136 -3.7788 -3.7788 -3.6183 -3.6183 -3.6144 -3.6144 -0.6438 -0.6438 0.3657 0.3657 0.8016 0.8016 0.8227 0.8227 0.9529 0.9529 1.8479 1.8479 2.0796 2.0796 2.0910 2.0910 7.8401 7.8401 11.0898 11.0898 11.3361 11.3361 11.3381 11.3381 k = 0.1410 0.2972 0.0000 ( 10497 PWs) bands (ev): -40.8752 -40.8752 -40.8250 -40.8250 -40.8143 -40.8143 -40.8143 -40.8143 -19.0761 -19.0761 -15.4502 -15.4502 -15.0187 -15.0187 -15.0183 -15.0183 -5.6984 -5.6984 -3.7803 -3.7803 -3.6195 -3.6195 -3.6155 -3.6155 -0.5958 -0.5958 0.3639 0.3639 0.7984 0.7984 0.8202 0.8202 0.9030 0.9030 1.8289 1.8289 2.0964 2.0964 2.1081 2.1081 7.8977 7.8977 11.0038 11.0038 11.3218 11.3218 11.3238 11.3238 k = 0.1477 0.3113 0.0000 ( 10505 PWs) bands (ev): -40.8742 -40.8742 -40.8243 -40.8243 -40.8151 -40.8151 -40.8151 -40.8151 -19.0742 -19.0742 -15.4557 -15.4557 -15.0203 -15.0203 -15.0199 -15.0199 -5.6831 -5.6831 -3.7816 -3.7816 -3.6204 -3.6204 -3.6164 -3.6164 -0.5467 -0.5467 0.3606 0.3606 0.7936 0.7936 0.8168 0.8168 0.8527 0.8527 1.8112 1.8112 2.1139 2.1139 2.1257 2.1257 7.9569 7.9569 10.9186 10.9186 11.3058 11.3058 11.3077 11.3077 k = 0.1544 0.3255 0.0000 ( 10505 PWs) bands (ev): -40.8732 -40.8732 -40.8236 -40.8236 -40.8159 -40.8159 -40.8159 -40.8159 -19.0723 -19.0723 -15.4610 -15.4610 -15.0218 -15.0218 -15.0214 -15.0214 -5.6678 -5.6678 -3.7825 -3.7825 -3.6211 -3.6211 -3.6171 -3.6171 -0.4967 -0.4967 0.3557 0.3557 0.7817 0.7817 0.8079 0.8079 0.8126 0.8126 1.7949 1.7949 2.1318 2.1318 2.1438 2.1438 8.0177 8.0177 10.8343 10.8343 11.2883 11.2883 11.2901 11.2901 k = 0.1611 0.3397 0.0000 ( 10497 PWs) bands (ev): -40.8721 -40.8721 -40.8228 -40.8228 -40.8168 -40.8168 -40.8168 -40.8168 -19.0705 -19.0705 -15.4660 -15.4660 -15.0235 -15.0235 -15.0230 -15.0230 -5.6526 -5.6526 -3.7832 -3.7832 -3.6215 -3.6215 -3.6175 -3.6175 -0.4459 -0.4459 0.3491 0.3491 0.7408 0.7408 0.7906 0.7906 0.8075 0.8075 1.7802 1.7802 2.1501 2.1501 2.1622 2.1622 8.0798 8.0798 10.7509 10.7509 11.2694 11.2694 11.2712 11.2712 k = 0.1678 0.3538 0.0000 ( 10493 PWs) bands (ev): -40.8710 -40.8710 -40.8221 -40.8221 -40.8177 -40.8177 -40.8177 -40.8177 -19.0688 -19.0688 -15.4708 -15.4708 -15.0251 -15.0251 -15.0247 -15.0247 -5.6376 -5.6376 -3.7834 -3.7834 -3.6217 -3.6217 -3.6176 -3.6176 -0.3948 -0.3948 0.3406 0.3406 0.6890 0.6890 0.7830 0.7830 0.8017 0.8017 1.7675 1.7675 2.1686 2.1686 2.1808 2.1808 8.1432 8.1432 10.6686 10.6686 11.2494 11.2494 11.2512 11.2512 k = 0.1745 0.3680 0.0000 ( 10505 PWs) bands (ev): -40.8699 -40.8699 -40.8213 -40.8213 -40.8186 -40.8186 -40.8186 -40.8186 -19.0672 -19.0672 -15.4751 -15.4751 -15.0267 -15.0267 -15.0263 -15.0263 -5.6227 -5.6227 -3.7832 -3.7832 -3.6216 -3.6216 -3.6175 -3.6175 -0.3434 -0.3434 0.3301 0.3301 0.6358 0.6358 0.7758 0.7758 0.7952 0.7952 1.7568 1.7568 2.1871 2.1871 2.1994 2.1994 8.2078 8.2078 10.5872 10.5872 11.2288 11.2288 11.2305 11.2305 k = 0.1812 0.3821 0.0000 ( 10497 PWs) bands (ev): -40.8688 -40.8688 -40.8205 -40.8205 -40.8196 -40.8196 -40.8196 -40.8196 -19.0658 -19.0658 -15.4791 -15.4791 -15.0283 -15.0283 -15.0279 -15.0279 -5.6082 -5.6082 -3.7826 -3.7826 -3.6211 -3.6211 -3.6170 -3.6170 -0.2921 -0.2921 0.3175 0.3175 0.5825 0.5825 0.7684 0.7684 0.7880 0.7880 1.7483 1.7483 2.2055 2.2055 2.2178 2.2178 8.2733 8.2733 10.5070 10.5070 11.2079 11.2079 11.2096 11.2096 k = 0.1880 0.3963 0.0000 ( 10497 PWs) bands (ev): -40.8676 -40.8676 -40.8205 -40.8205 -40.8205 -40.8205 -40.8197 -40.8197 -19.0644 -19.0644 -15.4826 -15.4826 -15.0299 -15.0299 -15.0295 -15.0295 -5.5941 -5.5941 -3.7816 -3.7816 -3.6203 -3.6203 -3.6162 -3.6162 -0.2412 -0.2412 0.3028 0.3028 0.5294 0.5294 0.7604 0.7604 0.7802 0.7802 1.7422 1.7422 2.2235 2.2235 2.2358 2.2358 8.3398 8.3398 10.4280 10.4280 11.1870 11.1870 11.1887 11.1887 k = 0.1947 0.4104 0.0000 ( 10489 PWs) bands (ev): -40.8665 -40.8665 -40.8215 -40.8215 -40.8215 -40.8215 -40.8188 -40.8188 -19.0632 -19.0632 -15.4857 -15.4857 -15.0316 -15.0316 -15.0312 -15.0312 -5.5805 -5.5805 -3.7801 -3.7801 -3.6192 -3.6192 -3.6151 -3.6151 -0.1914 -0.1914 0.2860 0.2860 0.4772 0.4772 0.7520 0.7520 0.7719 0.7719 1.7385 1.7385 2.2409 2.2409 2.2533 2.2533 8.4071 8.4071 10.3501 10.3501 11.1666 11.1666 11.1682 11.1682 k = 0.2014 0.4246 0.0000 ( 10457 PWs) bands (ev): -40.8653 -40.8653 -40.8225 -40.8225 -40.8225 -40.8225 -40.8180 -40.8180 -19.0621 -19.0621 -15.4882 -15.4882 -15.0332 -15.0332 -15.0328 -15.0328 -5.5674 -5.5674 -3.7781 -3.7781 -3.6178 -3.6178 -3.6136 -3.6136 -0.1432 -0.1432 0.2670 0.2670 0.4265 0.4265 0.7432 0.7432 0.7632 0.7632 1.7372 1.7372 2.2577 2.2577 2.2701 2.2701 8.4750 8.4750 10.2735 10.2735 11.1470 11.1470 11.1486 11.1486 k = 0.2081 0.4387 0.0000 ( 10449 PWs) bands (ev): -40.8641 -40.8641 -40.8235 -40.8235 -40.8235 -40.8235 -40.8171 -40.8171 -19.0612 -19.0612 -15.4902 -15.4902 -15.0348 -15.0348 -15.0344 -15.0344 -5.5549 -5.5549 -3.7756 -3.7756 -3.6160 -3.6160 -3.6118 -3.6118 -0.0979 -0.0979 0.2460 0.2460 0.3786 0.3786 0.7341 0.7341 0.7541 0.7541 1.7384 1.7384 2.2736 2.2736 2.2860 2.2860 8.5435 8.5435 10.1981 10.1981 11.1286 11.1286 11.1301 11.1301 k = 0.2148 0.4529 0.0000 ( 10437 PWs) bands (ev): -40.8629 -40.8629 -40.8245 -40.8245 -40.8245 -40.8245 -40.8162 -40.8162 -19.0605 -19.0605 -15.4917 -15.4917 -15.0363 -15.0363 -15.0359 -15.0359 -5.5432 -5.5432 -3.7726 -3.7726 -3.6138 -3.6138 -3.6096 -3.6096 -0.0574 -0.0574 0.2230 0.2230 0.3354 0.3354 0.7247 0.7247 0.7446 0.7446 1.7420 1.7420 2.2885 2.2885 2.3008 2.3008 8.6125 8.6125 10.1240 10.1240 11.1116 11.1116 11.1131 11.1131 k = 0.2215 0.4670 0.0000 ( 10445 PWs) bands (ev): -40.8617 -40.8617 -40.8256 -40.8256 -40.8256 -40.8256 -40.8154 -40.8154 -19.0600 -19.0600 -15.4926 -15.4926 -15.0379 -15.0379 -15.0375 -15.0375 -5.5322 -5.5322 -3.7690 -3.7690 -3.6113 -3.6113 -3.6071 -3.6071 -0.0250 -0.0250 0.1982 0.1982 0.3001 0.3001 0.7151 0.7151 0.7350 0.7350 1.7480 1.7480 2.3021 2.3021 2.3145 2.3145 8.6818 8.6818 10.0512 10.0512 11.0965 11.0965 11.0979 11.0979 k = 0.2282 0.4812 0.0000 ( 10445 PWs) bands (ev): -40.8605 -40.8605 -40.8266 -40.8266 -40.8266 -40.8266 -40.8145 -40.8145 -19.0596 -19.0596 -15.4929 -15.4929 -15.0394 -15.0394 -15.0390 -15.0390 -5.5221 -5.5221 -3.7649 -3.7649 -3.6084 -3.6084 -3.6042 -3.6042 -0.0061 -0.0061 0.1716 0.1716 0.2781 0.2781 0.7053 0.7053 0.7252 0.7252 1.7563 1.7563 2.3144 2.3144 2.3267 2.3267 8.7513 8.7513 9.9796 9.9796 11.0834 11.0834 11.0848 11.0848 k = 0.2350 0.4953 0.0000 ( 10433 PWs) bands (ev): -40.8593 -40.8593 -40.8277 -40.8277 -40.8277 -40.8277 -40.8136 -40.8136 -19.0594 -19.0594 -15.4926 -15.4926 -15.0409 -15.0409 -15.0405 -15.0405 -5.5129 -5.5129 -3.7603 -3.7603 -3.6051 -3.6051 -3.6009 -3.6009 -0.0058 -0.0058 0.1434 0.1434 0.2744 0.2744 0.6955 0.6955 0.7153 0.7153 1.7666 1.7666 2.3252 2.3252 2.3375 2.3375 8.8211 8.8211 9.9095 9.9095 11.0725 11.0725 11.0739 11.0739 k = 0.2417 0.5095 0.0000 ( 10429 PWs) bands (ev): -40.8581 -40.8581 -40.8287 -40.8287 -40.8287 -40.8287 -40.8126 -40.8126 -19.0594 -19.0594 -15.4916 -15.4916 -15.0423 -15.0423 -15.0419 -15.0419 -5.5046 -5.5046 -3.7550 -3.7550 -3.6015 -3.6015 -3.5973 -3.5973 -0.0237 -0.0237 0.1138 0.1138 0.2888 0.2888 0.6857 0.6857 0.7055 0.7055 1.7790 1.7790 2.3344 2.3344 2.3467 2.3467 8.8908 8.8908 9.8407 9.8407 11.0642 11.0642 11.0656 11.0656 k = 0.2484 0.5236 0.0000 ( 10433 PWs) bands (ev): -40.8569 -40.8569 -40.8298 -40.8298 -40.8298 -40.8298 -40.8117 -40.8117 -19.0596 -19.0596 -15.4901 -15.4901 -15.0438 -15.0438 -15.0434 -15.0434 -5.4974 -5.4974 -3.7493 -3.7493 -3.5976 -3.5976 -3.5933 -3.5933 -0.0543 -0.0543 0.0830 0.0830 0.3155 0.3155 0.6759 0.6759 0.6957 0.6957 1.7933 1.7933 2.3419 2.3419 2.3541 2.3541 8.9606 8.9606 9.7733 9.7733 11.0586 11.0586 11.0599 11.0599 k = 0.2551 0.5378 0.0000 ( 10433 PWs) bands (ev): -40.8557 -40.8557 -40.8308 -40.8308 -40.8308 -40.8308 -40.8108 -40.8108 -19.0601 -19.0601 -15.4879 -15.4879 -15.0451 -15.0451 -15.0447 -15.0447 -5.4913 -5.4913 -3.7430 -3.7430 -3.5933 -3.5933 -3.5890 -3.5890 -0.0919 -0.0919 0.0511 0.0511 0.3488 0.3488 0.6663 0.6663 0.6860 0.6860 1.8093 1.8093 2.3475 2.3475 2.3597 2.3597 9.0302 9.0302 9.7072 9.7072 11.0558 11.0558 11.0570 11.0570 k = 0.2618 0.5519 0.0000 ( 10441 PWs) bands (ev): -40.8545 -40.8545 -40.8319 -40.8319 -40.8319 -40.8319 -40.8099 -40.8099 -19.0607 -19.0607 -15.4851 -15.4851 -15.0465 -15.0465 -15.0461 -15.0461 -5.4863 -5.4863 -3.7361 -3.7361 -3.5887 -3.5887 -3.5844 -3.5844 -0.1327 -0.1327 0.0184 0.0184 0.3851 0.3851 0.6569 0.6569 0.6765 0.6765 1.8269 1.8269 2.3512 2.3512 2.3634 2.3634 9.0997 9.0997 9.6426 9.6426 11.0559 11.0559 11.0571 11.0571 k = 0.2685 0.5661 0.0000 ( 10449 PWs) bands (ev): -40.8533 -40.8533 -40.8329 -40.8329 -40.8329 -40.8329 -40.8090 -40.8090 -19.0614 -19.0614 -15.4817 -15.4817 -15.0478 -15.0478 -15.0474 -15.0474 -5.4825 -5.4825 -3.7287 -3.7287 -3.5838 -3.5838 -3.5794 -3.5794 -0.1748 -0.1748 -0.0150 -0.0150 0.4223 0.4223 0.6478 0.6478 0.6673 0.6673 1.8458 1.8458 2.3530 2.3530 2.3651 2.3651 9.1690 9.1690 9.5794 9.5794 11.0590 11.0590 11.0602 11.0602 k = 0.2752 0.5802 0.0000 ( 10429 PWs) bands (ev): -40.8521 -40.8521 -40.8340 -40.8340 -40.8340 -40.8340 -40.8080 -40.8080 -19.0624 -19.0624 -15.4777 -15.4777 -15.0490 -15.0490 -15.0486 -15.0486 -5.4799 -5.4799 -3.7207 -3.7207 -3.5785 -3.5785 -3.5742 -3.5742 -0.2170 -0.2170 -0.0490 -0.0490 0.4592 0.4592 0.6390 0.6390 0.6584 0.6584 1.8661 1.8661 2.3528 2.3528 2.3648 2.3648 9.2380 9.2380 9.5177 9.5177 11.0652 11.0652 11.0664 11.0664 k = 0.2819 0.5944 0.0000 ( 10449 PWs) bands (ev): -40.8510 -40.8510 -40.8350 -40.8350 -40.8350 -40.8350 -40.8071 -40.8071 -19.0636 -19.0636 -15.4732 -15.4732 -15.0502 -15.0502 -15.0498 -15.0498 -5.4785 -5.4785 -3.7123 -3.7123 -3.5730 -3.5730 -3.5686 -3.5686 -0.2587 -0.2587 -0.0834 -0.0834 0.4951 0.4951 0.6306 0.6306 0.6498 0.6498 1.8874 1.8874 2.3505 2.3505 2.3625 2.3625 9.3066 9.3066 9.4575 9.4575 11.0745 11.0745 11.0757 11.0757 k = 0.2887 0.6085 0.0000 ( 10433 PWs) bands (ev): -40.8498 -40.8498 -40.8361 -40.8361 -40.8361 -40.8361 -40.8062 -40.8062 -19.0649 -19.0649 -15.4680 -15.4680 -15.0514 -15.0514 -15.0510 -15.0510 -5.4783 -5.4783 -3.7034 -3.7034 -3.5672 -3.5672 -3.5628 -3.5628 -0.2993 -0.2993 -0.1179 -0.1179 0.5294 0.5294 0.6227 0.6227 0.6417 0.6417 1.9096 1.9096 2.3463 2.3463 2.3582 2.3582 9.3749 9.3749 9.3988 9.3988 11.0869 11.0869 11.0880 11.0880 k = 0.2954 0.6227 0.0000 ( 10433 PWs) bands (ev): -40.8487 -40.8487 -40.8371 -40.8371 -40.8371 -40.8371 -40.8053 -40.8053 -19.0664 -19.0664 -15.4624 -15.4624 -15.0525 -15.0525 -15.0521 -15.0521 -5.4793 -5.4793 -3.6940 -3.6940 -3.5611 -3.5611 -3.5567 -3.5567 -0.3387 -0.3387 -0.1526 -0.1526 0.5617 0.5617 0.6156 0.6156 0.6340 0.6340 1.9327 1.9327 2.3400 2.3400 2.3519 2.3519 9.3415 9.3415 9.4429 9.4429 11.1023 11.1023 11.1034 11.1034 k = 0.3021 0.6368 0.0000 ( 10433 PWs) bands (ev): -40.8476 -40.8476 -40.8381 -40.8381 -40.8381 -40.8381 -40.8044 -40.8044 -19.0680 -19.0680 -15.4562 -15.4562 -15.0535 -15.0535 -15.0531 -15.0531 -5.4815 -5.4815 -3.6842 -3.6842 -3.5548 -3.5548 -3.5504 -3.5504 -0.3765 -0.3765 -0.1871 -0.1871 0.5900 0.5900 0.6110 0.6110 0.6268 0.6268 1.9564 1.9564 2.3317 2.3317 2.3436 2.3436 9.2858 9.2858 9.5105 9.5105 11.1206 11.1206 11.1217 11.1217 k = 0.3088 0.6510 0.0000 ( 10461 PWs) bands (ev): -40.8465 -40.8465 -40.8391 -40.8391 -40.8391 -40.8391 -40.8035 -40.8035 -19.0698 -19.0698 -15.4495 -15.4495 -15.0546 -15.0546 -15.0541 -15.0541 -5.4849 -5.4849 -3.6740 -3.6740 -3.5483 -3.5483 -3.5439 -3.5439 -0.4126 -0.4126 -0.2215 -0.2215 0.5979 0.5979 0.6200 0.6200 0.6254 0.6254 1.9806 1.9806 2.3216 2.3216 2.3334 2.3334 9.2316 9.2316 9.5776 9.5776 11.1418 11.1418 11.1429 11.1429 k = 0.3155 0.6652 0.0000 ( 10473 PWs) bands (ev): -40.8454 -40.8454 -40.8401 -40.8401 -40.8401 -40.8401 -40.8027 -40.8027 -19.0718 -19.0718 -15.4425 -15.4425 -15.0555 -15.0555 -15.0551 -15.0551 -5.4894 -5.4894 -3.6634 -3.6634 -3.5417 -3.5417 -3.5372 -3.5372 -0.4469 -0.4469 -0.2556 -0.2556 0.5933 0.5933 0.6140 0.6140 0.6504 0.6504 2.0052 2.0052 2.3095 2.3095 2.3213 2.3213 9.1791 9.1791 9.6443 9.6443 11.1657 11.1657 11.1669 11.1669 k = 0.3222 0.6793 0.0000 ( 10465 PWs) bands (ev): -40.8444 -40.8444 -40.8411 -40.8411 -40.8411 -40.8411 -40.8018 -40.8018 -19.0738 -19.0738 -15.4350 -15.4350 -15.0564 -15.0564 -15.0560 -15.0560 -5.4951 -5.4951 -3.6525 -3.6525 -3.5348 -3.5348 -3.5304 -3.5304 -0.4792 -0.4792 -0.2892 -0.2892 0.5883 0.5883 0.6085 0.6085 0.6742 0.6742 2.0301 2.0301 2.2958 2.2958 2.3075 2.3075 9.1281 9.1281 9.7106 9.7106 11.1921 11.1921 11.1935 11.1935 k = 0.3289 0.6935 0.0000 ( 10457 PWs) bands (ev): -40.8434 -40.8434 -40.8420 -40.8420 -40.8420 -40.8420 -40.8009 -40.8009 -19.0759 -19.0759 -15.4272 -15.4272 -15.0573 -15.0573 -15.0569 -15.0569 -5.5018 -5.5018 -3.6414 -3.6414 -3.5279 -3.5279 -3.5234 -3.5234 -0.5097 -0.5097 -0.3223 -0.3223 0.5836 0.5836 0.6036 0.6036 0.6959 0.6959 2.0551 2.0551 2.2803 2.2803 2.2919 2.2919 9.0787 9.0787 9.7764 9.7764 11.2210 11.2210 11.2224 11.2224 k = 0.3356 0.7076 0.0000 ( 10457 PWs) bands (ev): -40.8429 -40.8429 -40.8429 -40.8429 -40.8424 -40.8424 -40.8001 -40.8001 -19.0782 -19.0782 -15.4190 -15.4190 -15.0581 -15.0581 -15.0577 -15.0577 -5.5095 -5.5095 -3.6300 -3.6300 -3.5208 -3.5208 -3.5163 -3.5163 -0.5381 -0.5381 -0.3548 -0.3548 0.5794 0.5794 0.5993 0.5993 0.7153 0.7153 2.0802 2.0802 2.2634 2.2634 2.2749 2.2749 9.0310 9.0310 9.8418 9.8418 11.2521 11.2521 11.2536 11.2536 k = 0.3424 0.7218 0.0000 ( 10445 PWs) bands (ev): -40.8438 -40.8438 -40.8438 -40.8438 -40.8414 -40.8414 -40.7993 -40.7993 -19.0805 -19.0805 -15.4106 -15.4106 -15.0588 -15.0588 -15.0584 -15.0584 -5.5181 -5.5181 -3.6185 -3.6185 -3.5137 -3.5137 -3.5092 -3.5092 -0.5645 -0.5645 -0.3866 -0.3866 0.5759 0.5759 0.5957 0.5957 0.7325 0.7325 2.1051 2.1051 2.2450 2.2450 2.2564 2.2564 8.9850 8.9850 9.9065 9.9065 11.2852 11.2852 11.2868 11.2868 k = 0.3491 0.7359 0.0000 ( 10477 PWs) bands (ev): -40.8447 -40.8447 -40.8447 -40.8447 -40.8405 -40.8405 -40.7985 -40.7985 -19.0829 -19.0829 -15.4020 -15.4020 -15.0596 -15.0596 -15.0591 -15.0591 -5.5275 -5.5275 -3.6068 -3.6068 -3.5065 -3.5065 -3.5020 -3.5020 -0.5888 -0.5888 -0.4175 -0.4175 0.5730 0.5730 0.5928 0.5928 0.7473 0.7473 2.1297 2.1297 2.2255 2.2255 2.2366 2.2366 8.9406 8.9406 9.9707 9.9707 11.3200 11.3200 11.3218 11.3218 k = 0.3558 0.7501 0.0000 ( 10481 PWs) bands (ev): -40.8456 -40.8456 -40.8456 -40.8456 -40.8396 -40.8396 -40.7977 -40.7977 -19.0853 -19.0853 -15.3932 -15.3932 -15.0602 -15.0602 -15.0598 -15.0598 -5.5376 -5.5376 -3.5951 -3.5951 -3.4993 -3.4993 -3.4948 -3.4948 -0.6112 -0.6112 -0.4476 -0.4476 0.5707 0.5707 0.5904 0.5904 0.7599 0.7599 2.1536 2.1536 2.2052 2.2052 2.2158 2.2158 8.8980 8.8980 10.0341 10.0341 11.3564 11.3564 11.3583 11.3583 k = 0.3625 0.7642 0.0000 ( 10489 PWs) bands (ev): -40.8464 -40.8464 -40.8464 -40.8464 -40.8388 -40.8388 -40.7970 -40.7970 -19.0877 -19.0877 -15.3843 -15.3843 -15.0608 -15.0608 -15.0604 -15.0604 -5.5484 -5.5484 -3.5834 -3.5834 -3.4921 -3.4921 -3.4876 -3.4876 -0.6316 -0.6316 -0.4768 -0.4768 0.5691 0.5691 0.5888 0.5888 0.7704 0.7704 2.1724 2.1724 2.1884 2.1884 2.1942 2.1942 8.8571 8.8571 10.0966 10.0966 11.3940 11.3940 11.3961 11.3961 k = 0.3625 0.7642 0.0000 ( 10489 PWs) bands (ev): -40.8464 -40.8464 -40.8464 -40.8464 -40.8388 -40.8388 -40.7970 -40.7970 -19.0877 -19.0877 -15.3843 -15.3843 -15.0608 -15.0608 -15.0604 -15.0604 -5.5484 -5.5484 -3.5834 -3.5834 -3.4921 -3.4921 -3.4876 -3.4876 -0.6316 -0.6316 -0.4768 -0.4768 0.5691 0.5691 0.5888 0.5888 0.7704 0.7704 2.1724 2.1724 2.1884 2.1884 2.1942 2.1942 8.8571 8.8571 10.0966 10.0966 11.3940 11.3940 11.3961 11.3961 k = 0.3596 0.7581 0.0142 ( 10483 PWs) bands (ev): -40.8462 -40.8462 -40.8461 -40.8461 -40.8390 -40.8390 -40.7973 -40.7973 -19.0866 -19.0866 -15.3882 -15.3882 -15.0606 -15.0606 -15.0601 -15.0601 -5.5438 -5.5438 -3.5890 -3.5888 -3.4952 -3.4952 -3.4907 -3.4906 -0.6230 -0.6229 -0.4638 -0.4637 0.5686 0.5701 0.5889 0.5891 0.7669 0.7681 2.1642 2.1664 2.1935 2.1948 2.2034 2.2041 8.8733 8.8733 10.0692 10.0693 11.3788 11.3790 11.3810 11.3810 k = 0.3567 0.7521 0.0284 ( 10478 PWs) bands (ev): -40.8461 -40.8461 -40.8457 -40.8457 -40.8391 -40.8391 -40.7976 -40.7976 -19.0856 -19.0856 -15.3922 -15.3922 -15.0602 -15.0602 -15.0597 -15.0597 -5.5395 -5.5395 -3.5955 -3.5951 -3.4982 -3.4981 -3.4937 -3.4935 -0.6139 -0.6138 -0.4494 -0.4493 0.5672 0.5704 0.5883 0.5887 0.7658 0.7683 2.1526 2.1553 2.2018 2.2035 2.2129 2.2138 8.8874 8.8876 10.0404 10.0406 11.3665 11.3669 11.3687 11.3688 k = 0.3538 0.7460 0.0426 ( 10468 PWs) bands (ev): -40.8462 -40.8462 -40.8453 -40.8453 -40.8389 -40.8389 -40.7980 -40.7980 -19.0845 -19.0845 -15.3963 -15.3962 -15.0600 -15.0600 -15.0591 -15.0591 -5.5355 -5.5355 -3.6028 -3.6022 -3.5011 -3.5011 -3.4967 -3.4963 -0.6043 -0.6040 -0.4336 -0.4335 0.5649 0.5697 0.5869 0.5878 0.7672 0.7707 2.1398 2.1426 2.2106 2.2122 2.2221 2.2231 8.8994 8.8997 10.0102 10.0105 11.3570 11.3575 11.3594 11.3597 k = 0.3510 0.7399 0.0568 ( 10471 PWs) bands (ev): -40.8466 -40.8466 -40.8450 -40.8450 -40.8386 -40.8386 -40.7984 -40.7984 -19.0834 -19.0834 -15.4004 -15.4004 -15.0597 -15.0597 -15.0583 -15.0583 -5.5319 -5.5318 -3.6107 -3.6100 -3.5041 -3.5040 -3.4995 -3.4990 -0.5941 -0.5937 -0.4165 -0.4163 0.5612 0.5678 0.5851 0.5866 0.7708 0.7753 2.1261 2.1290 2.2192 2.2207 2.2310 2.2321 8.9092 8.9095 9.9785 9.9789 11.3505 11.3510 11.3531 11.3535 k = 0.3481 0.7338 0.0709 ( 10469 PWs) bands (ev): -40.8470 -40.8470 -40.8446 -40.8446 -40.8381 -40.8381 -40.7988 -40.7988 -19.0823 -19.0823 -15.4046 -15.4045 -15.0595 -15.0595 -15.0575 -15.0574 -5.5285 -5.5284 -3.6191 -3.6184 -3.5070 -3.5070 -3.5023 -3.5017 -0.5832 -0.5827 -0.3982 -0.3979 0.5563 0.5643 0.5834 0.5854 0.7764 0.7817 2.1117 2.1146 2.2275 2.2290 2.2395 2.2406 8.9168 8.9171 9.9454 9.9459 11.3469 11.3476 11.3495 11.3502 k = 0.3452 0.7277 0.0851 ( 10465 PWs) bands (ev): -40.8475 -40.8475 -40.8442 -40.8442 -40.8375 -40.8375 -40.7992 -40.7992 -19.0812 -19.0812 -15.4088 -15.4088 -15.0592 -15.0592 -15.0565 -15.0565 -5.5254 -5.5253 -3.6280 -3.6271 -3.5101 -3.5101 -3.5050 -3.5044 -0.5717 -0.5711 -0.3786 -0.3783 0.5501 0.5591 0.5822 0.5844 0.7835 0.7894 2.0966 2.0996 2.2354 2.2368 2.2477 2.2488 8.9220 8.9224 9.9111 9.9116 11.3464 11.3472 11.3486 11.3494 k = 0.3423 0.7217 0.0993 ( 10449 PWs) bands (ev): -40.8480 -40.8480 -40.8438 -40.8438 -40.8369 -40.8369 -40.7996 -40.7996 -19.0801 -19.0801 -15.4130 -15.4130 -15.0590 -15.0590 -15.0554 -15.0554 -5.5226 -5.5225 -3.6370 -3.6361 -3.5132 -3.5132 -3.5077 -3.5070 -0.5595 -0.5588 -0.3579 -0.3575 0.5430 0.5525 0.5813 0.5835 0.7918 0.7980 2.0810 2.0840 2.2430 2.2444 2.2555 2.2565 8.9249 8.9254 9.8756 9.8762 11.3486 11.3499 11.3505 11.3510 k = 0.3394 0.7156 0.1135 ( 10448 PWs) bands (ev): -40.8486 -40.8486 -40.8434 -40.8434 -40.8362 -40.8362 -40.8001 -40.8001 -19.0790 -19.0790 -15.4172 -15.4172 -15.0588 -15.0588 -15.0543 -15.0543 -5.5201 -5.5200 -3.6462 -3.6453 -3.5163 -3.5163 -3.5104 -3.5097 -0.5467 -0.5458 -0.3360 -0.3357 0.5351 0.5450 0.5806 0.5826 0.8007 0.8072 2.0649 2.0678 2.2502 2.2515 2.2629 2.2639 8.9256 8.9260 9.8391 9.8397 11.3523 11.3537 11.3561 11.3567 k = 0.3365 0.7095 0.1277 ( 10446 PWs) bands (ev): -40.8492 -40.8492 -40.8431 -40.8431 -40.8356 -40.8356 -40.8006 -40.8006 -19.0779 -19.0779 -15.4214 -15.4214 -15.0585 -15.0585 -15.0531 -15.0531 -5.5178 -5.5177 -3.6554 -3.6544 -3.5196 -3.5195 -3.5132 -3.5125 -0.5332 -0.5322 -0.3132 -0.3128 0.5268 0.5367 0.5800 0.5819 0.8100 0.8167 2.0484 2.0513 2.2570 2.2582 2.2698 2.2709 8.9240 8.9245 9.8018 9.8025 11.3571 11.3586 11.3655 11.3663 k = 0.3337 0.7034 0.1419 ( 10449 PWs) bands (ev): -40.8497 -40.8497 -40.8427 -40.8427 -40.8349 -40.8349 -40.8011 -40.8011 -19.0768 -19.0768 -15.4256 -15.4256 -15.0583 -15.0583 -15.0519 -15.0519 -5.5158 -5.5157 -3.6645 -3.6635 -3.5228 -3.5228 -3.5161 -3.5154 -0.5190 -0.5179 -0.2894 -0.2890 0.5181 0.5281 0.5794 0.5812 0.8192 0.8260 2.0315 2.0344 2.2635 2.2646 2.2765 2.2774 8.9203 8.9208 9.7639 9.7645 11.3630 11.3646 11.3783 11.3792 k = 0.3308 0.6973 0.1561 ( 10447 PWs) bands (ev): -40.8503 -40.8503 -40.8423 -40.8423 -40.8342 -40.8342 -40.8016 -40.8016 -19.0757 -19.0757 -15.4297 -15.4297 -15.0580 -15.0580 -15.0507 -15.0507 -5.5140 -5.5139 -3.6734 -3.6724 -3.5261 -3.5261 -3.5191 -3.5184 -0.5042 -0.5030 -0.2648 -0.2643 0.5092 0.5192 0.5788 0.5805 0.8281 0.8349 2.0144 2.0172 2.2696 2.2707 2.2827 2.2836 8.9146 8.9151 9.7254 9.7261 11.3699 11.3716 11.3944 11.3954 k = 0.3279 0.6912 0.1703 ( 10453 PWs) bands (ev): -40.8509 -40.8509 -40.8419 -40.8419 -40.8335 -40.8335 -40.8021 -40.8021 -19.0746 -19.0746 -15.4338 -15.4337 -15.0578 -15.0578 -15.0495 -15.0495 -5.5124 -5.5123 -3.6821 -3.6811 -3.5294 -3.5294 -3.5222 -3.5216 -0.4887 -0.4873 -0.2394 -0.2389 0.5002 0.5102 0.5782 0.5797 0.8364 0.8432 1.9972 1.9999 2.2753 2.2764 2.2885 2.2894 8.9070 8.9075 9.6866 9.6872 11.3774 11.3792 11.4138 11.4149 k = 0.3250 0.6852 0.1845 ( 10445 PWs) bands (ev): -40.8514 -40.8514 -40.8415 -40.8415 -40.8329 -40.8329 -40.8026 -40.8026 -19.0736 -19.0736 -15.4377 -15.4377 -15.0575 -15.0575 -15.0483 -15.0483 -5.5110 -5.5109 -3.6903 -3.6894 -3.5328 -3.5328 -3.5255 -3.5249 -0.4726 -0.4711 -0.2134 -0.2129 0.4912 0.5011 0.5776 0.5790 0.8439 0.8506 1.9799 1.9825 2.2807 2.2818 2.2941 2.2949 8.8977 8.8982 9.6476 9.6481 11.3854 11.3872 11.4364 11.4376 k = 0.3221 0.6791 0.1987 ( 10455 PWs) bands (ev): -40.8519 -40.8519 -40.8410 -40.8410 -40.8322 -40.8322 -40.8031 -40.8031 -19.0725 -19.0725 -15.4416 -15.4416 -15.0573 -15.0573 -15.0471 -15.0471 -5.5097 -5.5096 -3.6982 -3.6972 -3.5362 -3.5361 -3.5290 -3.5284 -0.4558 -0.4542 -0.1868 -0.1863 0.4822 0.4921 0.5769 0.5782 0.8503 0.8569 1.9626 1.9652 2.2858 2.2869 2.2992 2.3000 8.8868 8.8874 9.6084 9.6090 11.3936 11.3954 11.4621 11.4634 k = 0.3192 0.6730 0.2128 ( 10453 PWs) bands (ev): -40.8524 -40.8524 -40.8406 -40.8406 -40.8316 -40.8316 -40.8037 -40.8037 -19.0715 -19.0715 -15.4454 -15.4454 -15.0570 -15.0570 -15.0460 -15.0460 -5.5086 -5.5085 -3.7056 -3.7046 -3.5396 -3.5395 -3.5326 -3.5320 -0.4384 -0.4367 -0.1599 -0.1593 0.4733 0.4831 0.5761 0.5773 0.8555 0.8620 1.9455 1.9480 2.2907 2.2917 2.3041 2.3048 8.8747 8.8752 9.5693 9.5698 11.4020 11.4038 11.4908 11.4922 k = 0.3163 0.6669 0.2270 ( 10457 PWs) bands (ev): -40.8528 -40.8528 -40.8402 -40.8402 -40.8310 -40.8310 -40.8042 -40.8042 -19.0706 -19.0706 -15.4490 -15.4490 -15.0567 -15.0567 -15.0449 -15.0449 -5.5077 -5.5075 -3.7124 -3.7115 -3.5430 -3.5430 -3.5363 -3.5357 -0.4204 -0.4186 -0.1326 -0.1321 0.4645 0.4742 0.5753 0.5765 0.8594 0.8657 1.9286 1.9311 2.2953 2.2963 2.3086 2.3092 8.8614 8.8620 9.5303 9.5308 11.4104 11.4122 11.5224 11.5239 k = 0.3135 0.6608 0.2412 ( 10460 PWs) bands (ev): -40.8532 -40.8532 -40.8398 -40.8398 -40.8305 -40.8305 -40.8048 -40.8048 -19.0696 -19.0696 -15.4526 -15.4526 -15.0564 -15.0564 -15.0439 -15.0439 -5.5068 -5.5067 -3.7187 -3.7179 -3.5464 -3.5464 -3.5401 -3.5396 -0.4018 -0.3999 -0.1052 -0.1047 0.4558 0.4653 0.5745 0.5755 0.8617 0.8680 1.9121 1.9145 2.2996 2.3007 2.3129 2.3134 8.8473 8.8478 9.4915 9.4920 11.4188 11.4206 11.5567 11.5583 k = 0.3106 0.6548 0.2554 ( 10458 PWs) bands (ev): -40.8536 -40.8536 -40.8394 -40.8394 -40.8299 -40.8299 -40.8053 -40.8053 -19.0687 -19.0687 -15.4560 -15.4560 -15.0561 -15.0561 -15.0430 -15.0430 -5.5059 -5.5058 -3.7244 -3.7236 -3.5499 -3.5499 -3.5440 -3.5436 -0.3827 -0.3807 -0.0778 -0.0772 0.4472 0.4566 0.5735 0.5745 0.8625 0.8686 1.8961 1.8984 2.3038 2.3049 2.3169 2.3173 8.8326 8.8331 9.4531 9.4534 11.4272 11.4289 11.5937 11.5954 k = 0.3077 0.6487 0.2696 ( 10454 PWs) bands (ev): -40.8540 -40.8540 -40.8390 -40.8390 -40.8294 -40.8294 -40.8059 -40.8059 -19.0678 -19.0678 -15.4592 -15.4592 -15.0558 -15.0558 -15.0422 -15.0422 -5.5052 -5.5051 -3.7295 -3.7287 -3.5534 -3.5534 -3.5480 -3.5476 -0.3631 -0.3610 -0.0505 -0.0499 0.4388 0.4479 0.5726 0.5735 0.8615 0.8675 1.8807 1.8829 2.3077 2.3089 2.3207 2.3210 8.8175 8.8179 9.4149 9.4153 11.4355 11.4372 11.6333 11.6350 k = 0.3048 0.6426 0.2838 ( 10456 PWs) bands (ev): -40.8543 -40.8543 -40.8385 -40.8385 -40.8289 -40.8289 -40.8064 -40.8064 -19.0670 -19.0670 -15.4623 -15.4623 -15.0554 -15.0554 -15.0415 -15.0414 -5.5044 -5.5043 -3.7339 -3.7332 -3.5570 -3.5569 -3.5521 -3.5517 -0.3430 -0.3409 -0.0235 -0.0229 0.4304 0.4394 0.5716 0.5725 0.8589 0.8647 1.8659 1.8680 2.3115 2.3127 2.3243 2.3245 8.8023 8.8027 9.3772 9.3775 11.4437 11.4453 11.6751 11.6769 k = 0.3019 0.6365 0.2980 ( 10461 PWs) bands (ev): -40.8546 -40.8546 -40.8381 -40.8381 -40.8285 -40.8285 -40.8070 -40.8070 -19.0662 -19.0662 -15.4653 -15.4652 -15.0551 -15.0550 -15.0408 -15.0408 -5.5037 -5.5036 -3.7377 -3.7371 -3.5607 -3.5606 -3.5560 -3.5557 -0.3225 -0.3203 0.0030 0.0036 0.4221 0.4309 0.5706 0.5714 0.8546 0.8602 1.8519 1.8539 2.3151 2.3163 2.3277 2.3278 8.7872 8.7876 9.3400 9.3402 11.4518 11.4533 11.7192 11.7211 k = 0.2990 0.6304 0.3122 ( 10464 PWs) bands (ev): -40.8549 -40.8549 -40.8377 -40.8377 -40.8281 -40.8281 -40.8075 -40.8075 -19.0654 -19.0654 -15.4680 -15.4680 -15.0547 -15.0547 -15.0403 -15.0403 -5.5029 -5.5028 -3.7409 -3.7403 -3.5645 -3.5644 -3.5599 -3.5596 -0.3016 -0.2994 0.0290 0.0296 0.4139 0.4224 0.5696 0.5704 0.8485 0.8540 1.8388 1.8407 2.3184 2.3197 2.3310 2.3310 8.7724 8.7728 9.3032 9.3034 11.4599 11.4612 11.7653 11.7673 k = 0.2962 0.6243 0.3264 ( 10462 PWs) bands (ev): -40.8552 -40.8552 -40.8372 -40.8372 -40.8278 -40.8278 -40.8080 -40.8080 -19.0647 -19.0647 -15.4706 -15.4706 -15.0543 -15.0543 -15.0398 -15.0398 -5.5022 -5.5021 -3.7434 -3.7429 -3.5685 -3.5684 -3.5636 -3.5634 -0.2804 -0.2782 0.0543 0.0549 0.4058 0.4140 0.5687 0.5695 0.8408 0.8460 1.8266 1.8284 2.3216 2.3229 2.3341 2.3342 8.7583 8.7587 9.2671 9.2672 11.4677 11.4690 11.8039 11.8047 k = 0.2933 0.6183 0.3406 ( 10464 PWs) bands (ev): -40.8554 -40.8554 -40.8368 -40.8368 -40.8275 -40.8275 -40.8085 -40.8085 -19.0640 -19.0640 -15.4731 -15.4731 -15.0538 -15.0538 -15.0395 -15.0395 -5.5014 -5.5013 -3.7453 -3.7448 -3.5726 -3.5725 -3.5671 -3.5670 -0.2590 -0.2568 0.0786 0.0792 0.3977 0.4057 0.5680 0.5687 0.8314 0.8365 1.8153 1.8170 2.3245 2.3258 2.3372 2.3373 8.7451 8.7454 9.2315 9.2316 11.4755 11.4766 11.7881 11.7891 k = 0.2904 0.6122 0.3547 ( 10464 PWs) bands (ev): -40.8556 -40.8556 -40.8363 -40.8363 -40.8273 -40.8273 -40.8090 -40.8090 -19.0634 -19.0634 -15.4753 -15.4753 -15.0534 -15.0534 -15.0393 -15.0393 -5.5006 -5.5005 -3.7466 -3.7462 -3.5768 -3.5767 -3.5704 -3.5704 -0.2374 -0.2352 0.1019 0.1024 0.3896 0.3973 0.5674 0.5681 0.8206 0.8254 1.8051 1.8067 2.3273 2.3286 2.3402 2.3404 8.7330 8.7332 9.1965 9.1966 11.4830 11.4840 11.7714 11.7725 k = 0.2875 0.6061 0.3689 ( 10455 PWs) bands (ev): -40.8558 -40.8558 -40.8359 -40.8359 -40.8271 -40.8271 -40.8094 -40.8094 -19.0628 -19.0628 -15.4774 -15.4774 -15.0529 -15.0529 -15.0392 -15.0392 -5.4997 -5.4997 -3.7474 -3.7470 -3.5811 -3.5810 -3.5737 -3.5736 -0.2158 -0.2137 0.1239 0.1244 0.3817 0.3890 0.5671 0.5677 0.8084 0.8130 1.7959 1.7974 2.3298 2.3311 2.3432 2.3434 8.7222 8.7224 9.1622 9.1623 11.4902 11.4910 11.7542 11.7554 k = 0.2846 0.6000 0.3831 ( 10465 PWs) bands (ev): -40.8559 -40.8559 -40.8355 -40.8355 -40.8270 -40.8270 -40.8099 -40.8099 -19.0622 -19.0622 -15.4793 -15.4793 -15.0525 -15.0525 -15.0392 -15.0392 -5.4989 -5.4988 -3.7475 -3.7472 -3.5853 -3.5852 -3.5768 -3.5768 -0.1943 -0.1922 0.1445 0.1449 0.3737 0.3806 0.5671 0.5677 0.7950 0.7993 1.7878 1.7891 2.3322 2.3334 2.3461 2.3463 8.7129 8.7131 9.1286 9.1286 11.4971 11.4978 11.7370 11.7383 k = 0.2817 0.5939 0.3973 ( 10471 PWs) bands (ev): -40.8560 -40.8560 -40.8350 -40.8350 -40.8269 -40.8269 -40.8102 -40.8102 -19.0617 -19.0617 -15.4810 -15.4810 -15.0519 -15.0519 -15.0393 -15.0393 -5.4980 -5.4979 -3.7472 -3.7469 -3.5894 -3.5893 -3.5798 -3.5798 -0.1730 -0.1710 0.1635 0.1640 0.3658 0.3723 0.5676 0.5682 0.7805 0.7845 1.7808 1.7819 2.3344 2.3355 2.3489 2.3491 8.7054 8.7056 9.0957 9.0958 11.5034 11.5040 11.7202 11.7217 k = 0.2788 0.5879 0.4115 ( 10464 PWs) bands (ev): -40.8561 -40.8561 -40.8346 -40.8346 -40.8270 -40.8270 -40.8106 -40.8106 -19.0613 -19.0613 -15.4826 -15.4826 -15.0514 -15.0514 -15.0395 -15.0395 -5.4970 -5.4970 -3.7465 -3.7462 -3.5933 -3.5932 -3.5828 -3.5827 -0.1520 -0.1502 0.1809 0.1813 0.3581 0.3640 0.5687 0.5692 0.7652 0.7689 1.7747 1.7757 2.3365 2.3375 2.3515 2.3517 8.6999 8.7001 9.0636 9.0636 11.5093 11.5096 11.7044 11.7059 k = 0.2760 0.5818 0.4257 ( 10470 PWs) bands (ev): -40.8562 -40.8562 -40.8341 -40.8341 -40.8270 -40.8270 -40.8109 -40.8109 -19.0608 -19.0608 -15.4840 -15.4840 -15.0509 -15.0509 -15.0398 -15.0398 -5.4961 -5.4961 -3.7453 -3.7452 -3.5970 -3.5969 -3.5856 -3.5856 -0.1316 -0.1299 0.1964 0.1968 0.3504 0.3558 0.5704 0.5709 0.7493 0.7526 1.7696 1.7705 2.3385 2.3394 2.3540 2.3542 8.6965 8.6966 9.0322 9.0323 11.5143 11.5146 11.6898 11.6914 k = 0.2731 0.5757 0.4399 ( 10464 PWs) bands (ev): -40.8562 -40.8562 -40.8337 -40.8337 -40.8272 -40.8272 -40.8111 -40.8111 -19.0605 -19.0605 -15.4852 -15.4852 -15.0503 -15.0503 -15.0402 -15.0402 -5.4952 -5.4951 -3.7439 -3.7438 -3.6004 -3.6003 -3.5884 -3.5883 -0.1120 -0.1105 0.2101 0.2104 0.3430 0.3477 0.5728 0.5732 0.7331 0.7360 1.7654 1.7662 2.3404 2.3412 2.3562 2.3564 8.6954 8.6955 9.0016 9.0017 11.5186 11.5187 11.6769 11.6784 k = 0.2702 0.5696 0.4541 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8332 -40.8332 -40.8274 -40.8274 -40.8113 -40.8113 -19.0602 -19.0602 -15.4862 -15.4862 -15.0497 -15.0497 -15.0407 -15.0407 -5.4943 -5.4942 -3.7423 -3.7422 -3.6034 -3.6034 -3.5910 -3.5910 -0.0935 -0.0921 0.2218 0.2221 0.3358 0.3399 0.5761 0.5764 0.7167 0.7193 1.7621 1.7628 2.3422 2.3429 2.3581 2.3583 8.6968 8.6969 8.9718 8.9719 11.5219 11.5220 11.6657 11.6672 k = 0.2673 0.5635 0.4683 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8328 -40.8328 -40.8276 -40.8276 -40.8115 -40.8115 -19.0599 -19.0599 -15.4871 -15.4871 -15.0491 -15.0491 -15.0412 -15.0412 -5.4934 -5.4934 -3.7405 -3.7405 -3.6060 -3.6059 -3.5936 -3.5936 -0.0763 -0.0752 0.2316 0.2318 0.3291 0.3326 0.5801 0.5804 0.7006 0.7027 1.7595 1.7601 2.3440 2.3446 2.3598 2.3599 8.7009 8.7010 8.9429 8.9430 11.5243 11.5244 11.6565 11.6579 k = 0.2644 0.5575 0.4824 ( 10466 PWs) bands (ev): -40.8563 -40.8563 -40.8323 -40.8323 -40.8280 -40.8280 -40.8116 -40.8116 -19.0597 -19.0597 -15.4878 -15.4878 -15.0485 -15.0485 -15.0418 -15.0418 -5.4926 -5.4926 -3.7388 -3.7388 -3.6080 -3.6080 -3.5960 -3.5960 -0.0608 -0.0599 0.2395 0.2396 0.3231 0.3257 0.5850 0.5852 0.6850 0.6867 1.7576 1.7581 2.3457 2.3462 2.3610 2.3612 8.7077 8.7077 8.9148 8.9148 11.5258 11.5259 11.6492 11.6504 k = 0.2615 0.5514 0.4966 ( 10470 PWs) bands (ev): -40.8563 -40.8563 -40.8319 -40.8319 -40.8283 -40.8283 -40.8117 -40.8117 -19.0595 -19.0595 -15.4884 -15.4884 -15.0479 -15.0479 -15.0424 -15.0424 -5.4919 -5.4919 -3.7371 -3.7371 -3.6095 -3.6095 -3.5984 -3.5984 -0.0474 -0.0468 0.2455 0.2457 0.3178 0.3198 0.5906 0.5908 0.6701 0.6714 1.7562 1.7566 2.3473 2.3477 2.3620 2.3621 8.7174 8.7174 8.8875 8.8876 11.5267 11.5268 11.6438 11.6448 k = 0.2587 0.5453 0.5108 ( 10470 PWs) bands (ev): -40.8563 -40.8563 -40.8314 -40.8314 -40.8287 -40.8287 -40.8118 -40.8118 -19.0593 -19.0593 -15.4889 -15.4888 -15.0472 -15.0472 -15.0431 -15.0431 -5.4913 -5.4912 -3.7357 -3.7357 -3.6103 -3.6103 -3.6006 -3.6006 -0.0365 -0.0361 0.2499 0.2500 0.3135 0.3148 0.5968 0.5969 0.6565 0.6573 1.7554 1.7556 2.3488 2.3491 2.3626 2.3627 8.7300 8.7300 8.8610 8.8611 11.5271 11.5272 11.6399 11.6406 k = 0.2558 0.5392 0.5250 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8310 -40.8310 -40.8291 -40.8291 -40.8118 -40.8118 -19.0593 -19.0593 -15.4892 -15.4892 -15.0466 -15.0466 -15.0438 -15.0438 -5.4908 -5.4908 -3.7347 -3.7346 -3.6104 -3.6104 -3.6027 -3.6027 -0.0284 -0.0282 0.2528 0.2529 0.3105 0.3112 0.6033 0.6033 0.6445 0.6450 1.7548 1.7550 2.3500 2.3502 2.3629 2.3630 8.7457 8.7457 8.8354 8.8355 11.5273 11.5274 11.6373 11.6377 k = 0.2529 0.5331 0.5392 ( 10471 PWs) bands (ev): -40.8563 -40.8563 -40.8305 -40.8305 -40.8296 -40.8296 -40.8118 -40.8118 -19.0592 -19.0592 -15.4893 -15.4893 -15.0459 -15.0459 -15.0444 -15.0444 -5.4905 -5.4905 -3.7340 -3.7340 -3.6100 -3.6100 -3.6044 -3.6044 -0.0235 -0.0234 0.2544 0.2545 0.3087 0.3090 0.6093 0.6093 0.6351 0.6353 1.7546 1.7547 2.3509 2.3510 2.3630 2.3630 8.7645 8.7645 8.8106 8.8107 11.5275 11.5275 11.6358 11.6360 k = 0.2500 0.5270 0.5534 ( 10464 PWs) bands (ev): -40.8563 -40.8563 -40.8300 -40.8300 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0454 -15.0454 -15.0450 -15.0450 -5.4904 -5.4904 -3.7337 -3.7337 -3.6095 -3.6095 -3.6053 -3.6053 -0.0218 -0.0218 0.2549 0.2549 0.3082 0.3082 0.6122 0.6122 0.6311 0.6311 1.7546 1.7546 2.3513 2.3513 2.3630 2.3630 8.7854 8.7854 8.7878 8.7878 11.5275 11.5275 11.6353 11.6353 k = 0.2500 0.5270 0.5534 ( 10464 PWs) bands (ev): -40.8563 -40.8563 -40.8300 -40.8300 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0454 -15.0454 -15.0450 -15.0450 -5.4904 -5.4904 -3.7337 -3.7337 -3.6095 -3.6095 -3.6053 -3.6053 -0.0218 -0.0218 0.2549 0.2549 0.3082 0.3082 0.6122 0.6122 0.6311 0.6311 1.7546 1.7546 2.3513 2.3513 2.3630 2.3630 8.7854 8.7854 8.7878 8.7878 11.5275 11.5275 11.6353 11.6353 k = 0.2400 0.5318 0.5423 ( 10470 PWs) bands (ev): -40.8563 -40.8563 -40.8300 -40.8300 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0454 -15.0454 -15.0450 -15.0450 -5.4904 -5.4904 -3.7341 -3.7341 -3.6093 -3.6093 -3.6051 -3.6051 -0.0222 -0.0222 0.2546 0.2546 0.3073 0.3074 0.6129 0.6130 0.6317 0.6319 1.7543 1.7544 2.3513 2.3514 2.3631 2.3631 8.7860 8.7860 8.7889 8.7889 11.5293 11.5294 11.6343 11.6346 k = 0.2300 0.5365 0.5313 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8300 -40.8300 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0454 -15.0454 -15.0450 -15.0450 -5.4904 -5.4904 -3.7351 -3.7351 -3.6089 -3.6088 -3.6043 -3.6043 -0.0232 -0.0232 0.2536 0.2536 0.3048 0.3051 0.6149 0.6150 0.6339 0.6343 1.7537 1.7538 2.3513 2.3515 2.3632 2.3632 8.7864 8.7864 8.7937 8.7937 11.5348 11.5348 11.6315 11.6320 k = 0.2200 0.5413 0.5202 ( 10476 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0454 -15.0454 -15.0449 -15.0449 -5.4905 -5.4905 -3.7368 -3.7367 -3.6084 -3.6083 -3.6028 -3.6027 -0.0249 -0.0248 0.2519 0.2520 0.3008 0.3013 0.6177 0.6178 0.6380 0.6385 1.7526 1.7529 2.3514 2.3517 2.3633 2.3633 8.7866 8.7866 8.8021 8.8021 11.5437 11.5438 11.6266 11.6273 k = 0.2100 0.5460 0.5091 ( 10472 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0453 -15.0453 -15.0449 -15.0449 -5.4906 -5.4906 -3.7390 -3.7389 -3.6080 -3.6079 -3.6004 -3.6003 -0.0271 -0.0271 0.2496 0.2496 0.2958 0.2963 0.6207 0.6209 0.6442 0.6449 1.7512 1.7515 2.3515 2.3519 2.3636 2.3636 8.7868 8.7868 8.8139 8.8139 11.5562 11.5563 11.6191 11.6200 k = 0.2000 0.5508 0.4981 ( 10478 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0453 -15.0453 -15.0449 -15.0449 -5.4907 -5.4907 -3.7416 -3.7415 -3.6077 -3.6077 -3.5973 -3.5972 -0.0300 -0.0299 0.2465 0.2465 0.2899 0.2904 0.6237 0.6240 0.6525 0.6533 1.7494 1.7498 2.3517 2.3521 2.3639 2.3640 8.7869 8.7869 8.8290 8.8290 11.5722 11.5723 11.6082 11.6093 k = 0.1900 0.5555 0.4870 ( 10476 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4895 -15.4895 -15.0453 -15.0453 -15.0449 -15.0449 -5.4909 -5.4908 -3.7446 -3.7445 -3.6075 -3.6075 -3.5937 -3.5936 -0.0334 -0.0333 0.2427 0.2428 0.2835 0.2840 0.6268 0.6271 0.6625 0.6634 1.7474 1.7478 2.3518 2.3522 2.3643 2.3644 8.7871 8.7871 8.8472 8.8473 11.5914 11.5916 11.5934 11.5946 k = 0.1800 0.5603 0.4759 ( 10478 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4895 -15.4895 -15.0452 -15.0452 -15.0448 -15.0448 -5.4910 -5.4910 -3.7478 -3.7477 -3.6073 -3.6073 -3.5897 -3.5895 -0.0372 -0.0371 0.2382 0.2383 0.2769 0.2774 0.6299 0.6301 0.6738 0.6747 1.7450 1.7455 2.3519 2.3523 2.3649 2.3650 8.7873 8.7873 8.8685 8.8686 11.5735 11.5749 11.6140 11.6141 k = 0.1700 0.5650 0.4649 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4895 -15.4895 -15.0452 -15.0452 -15.0448 -15.0448 -5.4912 -5.4912 -3.7512 -3.7511 -3.6072 -3.6071 -3.5853 -3.5852 -0.0414 -0.0414 0.2329 0.2331 0.2704 0.2709 0.6330 0.6333 0.6861 0.6870 1.7424 1.7430 2.3519 2.3523 2.3655 2.3657 8.7875 8.7875 8.8927 8.8928 11.5482 11.5496 11.6395 11.6397 k = 0.1600 0.5697 0.4538 ( 10460 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4895 -15.4895 -15.0452 -15.0452 -15.0447 -15.0447 -5.4914 -5.4914 -3.7548 -3.7547 -3.6070 -3.6069 -3.5808 -3.5807 -0.0460 -0.0459 0.2270 0.2273 0.2642 0.2645 0.6363 0.6365 0.6990 0.6999 1.7397 1.7402 2.3518 2.3523 2.3662 2.3664 8.7878 8.7878 8.9196 8.9197 11.5168 11.5183 11.6680 11.6682 k = 0.1500 0.5745 0.4427 ( 10464 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0593 -19.0593 -15.4896 -15.4896 -15.0451 -15.0451 -15.0447 -15.0447 -5.4916 -5.4916 -3.7583 -3.7582 -3.6068 -3.6068 -3.5762 -3.5760 -0.0508 -0.0507 0.2205 0.2210 0.2582 0.2585 0.6396 0.6399 0.7122 0.7131 1.7368 1.7374 2.3517 2.3521 2.3670 2.3673 8.7881 8.7881 8.9490 8.9491 11.4795 11.4809 11.6991 11.6993 k = 0.1400 0.5792 0.4317 ( 10462 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0593 -19.0593 -15.4896 -15.4896 -15.0451 -15.0451 -15.0446 -15.0446 -5.4918 -5.4918 -3.7618 -3.7617 -3.6067 -3.6066 -3.5715 -3.5714 -0.0557 -0.0556 0.2138 0.2143 0.2526 0.2528 0.6429 0.6432 0.7255 0.7264 1.7338 1.7344 2.3515 2.3519 2.3679 2.3682 8.7885 8.7885 8.9806 8.9807 11.4366 11.4379 11.7326 11.7329 k = 0.1300 0.5840 0.4206 ( 10466 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0593 -19.0593 -15.4896 -15.4896 -15.0450 -15.0450 -15.0446 -15.0446 -5.4920 -5.4920 -3.7652 -3.7651 -3.6065 -3.6065 -3.5669 -3.5668 -0.0607 -0.0606 0.2069 0.2075 0.2474 0.2474 0.6463 0.6465 0.7387 0.7396 1.7308 1.7314 2.3512 2.3516 2.3688 2.3691 8.7889 8.7889 9.0141 9.0143 11.3890 11.3903 11.7682 11.7685 k = 0.1200 0.5887 0.4095 ( 10472 PWs) bands (ev): -40.8563 -40.8563 -40.8301 -40.8301 -40.8300 -40.8300 -40.8118 -40.8118 -19.0593 -19.0593 -15.4897 -15.4897 -15.0450 -15.0450 -15.0445 -15.0445 -5.4922 -5.4922 -3.7685 -3.7684 -3.6064 -3.6063 -3.5624 -3.5623 -0.0657 -0.0656 0.2001 0.2007 0.2423 0.2424 0.6496 0.6498 0.7517 0.7525 1.7278 1.7284 2.3509 2.3513 2.3697 2.3701 8.7893 8.7893 9.0493 9.0494 11.3378 11.3390 11.8057 11.8060 k = 0.1100 0.5935 0.3984 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0593 -19.0593 -15.4897 -15.4897 -15.0450 -15.0450 -15.0445 -15.0445 -5.4924 -5.4924 -3.7716 -3.7715 -3.6062 -3.6062 -3.5581 -3.5580 -0.0706 -0.0706 0.1935 0.1941 0.2376 0.2377 0.6528 0.6530 0.7641 0.7649 1.7248 1.7254 2.3505 2.3509 2.3707 2.3710 8.7897 8.7898 9.0856 9.0857 11.2842 11.2852 11.8446 11.8449 k = 0.1000 0.5982 0.3874 ( 10468 PWs) bands (ev): -40.8563 -40.8563 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0593 -19.0593 -15.4897 -15.4897 -15.0449 -15.0449 -15.0444 -15.0444 -5.4927 -5.4926 -3.7746 -3.7745 -3.6061 -3.6060 -3.5540 -3.5538 -0.0754 -0.0753 0.1872 0.1879 0.2331 0.2332 0.6559 0.6561 0.7760 0.7767 1.7220 1.7226 2.3501 2.3504 2.3716 2.3720 8.7902 8.7903 9.1227 9.1228 11.2294 11.2302 11.8845 11.8848 k = 0.0900 0.6029 0.3763 ( 10466 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0593 -19.0593 -15.4898 -15.4898 -15.0449 -15.0449 -15.0443 -15.0443 -5.4929 -5.4928 -3.7773 -3.7772 -3.6059 -3.6059 -3.5501 -3.5500 -0.0800 -0.0799 0.1814 0.1820 0.2289 0.2291 0.6588 0.6590 0.7872 0.7878 1.7193 1.7198 2.3497 2.3500 2.3725 2.3728 8.7907 8.7907 9.1599 9.1601 11.1745 11.1752 11.9248 11.9252 k = 0.0800 0.6077 0.3652 ( 10464 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4898 -15.4898 -15.0448 -15.0448 -15.0443 -15.0443 -5.4931 -5.4930 -3.7798 -3.7797 -3.6058 -3.6058 -3.5465 -3.5464 -0.0842 -0.0842 0.1760 0.1766 0.2251 0.2252 0.6615 0.6617 0.7975 0.7980 1.7168 1.7173 2.3492 2.3495 2.3733 2.3737 8.7912 8.7912 9.1968 9.1969 11.1207 11.1214 11.9650 11.9654 k = 0.0700 0.6124 0.3542 ( 10464 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4898 -15.4898 -15.0448 -15.0448 -15.0442 -15.0442 -5.4932 -5.4932 -3.7820 -3.7819 -3.6057 -3.6056 -3.5433 -3.5432 -0.0881 -0.0881 0.1712 0.1718 0.2216 0.2217 0.6640 0.6641 0.8068 0.8073 1.7145 1.7149 2.3488 2.3490 2.3741 2.3744 8.7916 8.7917 9.2324 9.2326 11.0693 11.0698 12.0043 12.0047 k = 0.0600 0.6172 0.3431 ( 10464 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4898 -15.4898 -15.0448 -15.0448 -15.0442 -15.0442 -5.4934 -5.4934 -3.7840 -3.7839 -3.6056 -3.6055 -3.5405 -3.5404 -0.0916 -0.0916 0.1670 0.1676 0.2184 0.2186 0.6662 0.6663 0.8151 0.8156 1.7124 1.7128 2.3484 2.3486 2.3748 2.3750 8.7921 8.7921 9.2662 9.2663 11.0213 11.0218 12.0418 12.0422 k = 0.0500 0.6219 0.3320 ( 10456 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0442 -15.0442 -5.4935 -5.4935 -3.7856 -3.7856 -3.6055 -3.6054 -3.5380 -3.5379 -0.0947 -0.0946 0.1635 0.1639 0.2157 0.2159 0.6681 0.6682 0.8223 0.8227 1.7107 1.7110 2.3481 2.3482 2.3754 2.3756 8.7924 8.7925 9.2971 9.2972 10.9779 10.9783 12.0766 12.0770 k = 0.0400 0.6267 0.3210 ( 10458 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0441 -15.0441 -5.4936 -5.4936 -3.7870 -3.7870 -3.6054 -3.6054 -3.5359 -3.5359 -0.0972 -0.0972 0.1605 0.1609 0.2135 0.2136 0.6697 0.6698 0.8283 0.8285 1.7092 1.7095 2.3478 2.3479 2.3759 2.3761 8.7928 8.7928 9.3242 9.3243 10.9404 10.9407 12.1076 12.1079 k = 0.0300 0.6314 0.3099 ( 10458 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0441 -15.0441 -5.4937 -5.4937 -3.7881 -3.7881 -3.6053 -3.6053 -3.5343 -3.5343 -0.0992 -0.0992 0.1583 0.1585 0.2117 0.2118 0.6709 0.6710 0.8330 0.8332 1.7080 1.7083 2.3475 2.3476 2.3763 2.3764 8.7930 8.7931 9.3467 9.3467 10.9097 10.9099 12.1335 12.1338 k = 0.0200 0.6361 0.2988 ( 10460 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0441 -15.0441 -5.4938 -5.4938 -3.7889 -3.7889 -3.6053 -3.6053 -3.5332 -3.5331 -0.1007 -0.1007 0.1566 0.1568 0.2104 0.2104 0.6719 0.6719 0.8364 0.8365 1.7072 1.7074 2.3473 2.3474 2.3766 2.3767 8.7932 8.7933 9.3634 9.3635 10.8870 10.8871 12.1532 12.1534 k = 0.0100 0.6409 0.2878 ( 10470 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0441 -15.0441 -5.4938 -5.4938 -3.7893 -3.7893 -3.6052 -3.6052 -3.5324 -3.5324 -0.1016 -0.1016 0.1557 0.1558 0.2096 0.2096 0.6724 0.6724 0.8384 0.8385 1.7067 1.7068 2.3472 2.3473 2.3768 2.3768 8.7934 8.7934 9.3738 9.3739 10.8730 10.8730 12.1655 12.1656 k = 0.0000 0.6456 0.2767 ( 10478 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0441 -15.0441 -5.4939 -5.4939 -3.7895 -3.7895 -3.6052 -3.6052 -3.5322 -3.5322 -0.1019 -0.1019 0.1554 0.1554 0.2093 0.2093 0.6726 0.6726 0.8392 0.8392 1.7066 1.7066 2.3472 2.3472 2.3768 2.3768 8.7934 8.7934 9.3774 9.3774 10.8683 10.8683 12.1697 12.1697 k = 0.0000 0.6456 0.2767 ( 10478 PWs) bands (ev): -40.8564 -40.8564 -40.8302 -40.8302 -40.8299 -40.8299 -40.8117 -40.8117 -19.0594 -19.0594 -15.4899 -15.4899 -15.0447 -15.0447 -15.0441 -15.0441 -5.4939 -5.4939 -3.7895 -3.7895 -3.6052 -3.6052 -3.5322 -3.5322 -0.1019 -0.1019 0.1554 0.1554 0.2093 0.2093 0.6726 0.6726 0.8392 0.8392 1.7066 1.7066 2.3472 2.3472 2.3768 2.3768 8.7934 8.7934 9.3774 9.3774 10.8683 10.8683 12.1697 12.1697 k =-0.0121 0.6417 0.2859 ( 10469 PWs) bands (ev): -40.8564 -40.8564 -40.8303 -40.8303 -40.8299 -40.8299 -40.8116 -40.8116 -19.0595 -19.0595 -15.4897 -15.4897 -15.0447 -15.0447 -15.0441 -15.0441 -5.4938 -5.4938 -3.7892 -3.7891 -3.6051 -3.6050 -3.5322 -3.5321 -0.1050 -0.1039 0.1562 0.1574 0.2079 0.2086 0.6723 0.6738 0.8383 0.8395 1.7076 1.7078 2.3469 2.3473 2.3765 2.3768 8.7945 8.7947 9.3779 9.3780 10.8693 10.8693 12.1616 12.1619 k =-0.0242 0.6377 0.2951 ( 10475 PWs) bands (ev): -40.8563 -40.8563 -40.8303 -40.8303 -40.8301 -40.8301 -40.8115 -40.8115 -19.0596 -19.0596 -15.4893 -15.4893 -15.0449 -15.0448 -15.0442 -15.0441 -5.4938 -5.4938 -3.7882 -3.7881 -3.6045 -3.6044 -3.5321 -3.5320 -0.1130 -0.1110 0.1589 0.1609 0.2051 0.2066 0.6729 0.6759 0.8368 0.8392 1.7109 1.7113 2.3464 2.3471 2.3758 2.3764 8.7980 8.7982 9.3795 9.3798 10.8722 10.8724 12.1392 12.1398 k =-0.0362 0.6338 0.3044 ( 10471 PWs) bands (ev): -40.8562 -40.8562 -40.8304 -40.8304 -40.8303 -40.8303 -40.8113 -40.8113 -19.0598 -19.0598 -15.4885 -15.4885 -15.0451 -15.0449 -15.0444 -15.0443 -5.4937 -5.4937 -3.7866 -3.7865 -3.6036 -3.6034 -3.5319 -3.5317 -0.1251 -0.1224 0.1600 0.1619 0.2038 0.2069 0.6741 0.6787 0.8348 0.8384 1.7163 1.7169 2.3457 2.3467 2.3747 2.3757 8.8038 8.8041 9.3823 9.3828 10.8772 10.8774 12.1066 12.1074 k =-0.0483 0.6298 0.3136 ( 10461 PWs) bands (ev): -40.8561 -40.8561 -40.8306 -40.8306 -40.8305 -40.8305 -40.8110 -40.8110 -19.0601 -19.0601 -15.4874 -15.4874 -15.0453 -15.0451 -15.0446 -15.0444 -5.4936 -5.4936 -3.7844 -3.7842 -3.6023 -3.6020 -3.5316 -3.5313 -0.1405 -0.1373 0.1546 0.1559 0.2086 0.2135 0.6756 0.6818 0.8324 0.8373 1.7239 1.7246 2.3448 2.3461 2.3733 2.3746 8.8117 8.8122 9.3863 9.3869 10.8842 10.8844 12.0675 12.0684 k =-0.0604 0.6259 0.3228 ( 10461 PWs) bands (ev): -40.8559 -40.8559 -40.8310 -40.8310 -40.8306 -40.8306 -40.8106 -40.8106 -19.0605 -19.0605 -15.4861 -15.4861 -15.0456 -15.0454 -15.0449 -15.0447 -5.4935 -5.4935 -3.7815 -3.7813 -3.6006 -3.6003 -3.5312 -3.5309 -0.1583 -0.1548 0.1420 0.1429 0.2196 0.2259 0.6771 0.6850 0.8296 0.8358 1.7334 1.7343 2.3436 2.3452 2.3715 2.3731 8.8217 8.8223 9.3915 9.3923 10.8930 10.8933 12.0247 12.0256 k =-0.0725 0.6219 0.3320 ( 10460 PWs) bands (ev): -40.8557 -40.8557 -40.8315 -40.8315 -40.8308 -40.8308 -40.8102 -40.8102 -19.0609 -19.0609 -15.4844 -15.4844 -15.0460 -15.0458 -15.0452 -15.0450 -5.4934 -5.4934 -3.7780 -3.7777 -3.5986 -3.5982 -3.5307 -3.5303 -0.1779 -0.1743 0.1245 0.1252 0.2345 0.2417 0.6782 0.6879 0.8267 0.8342 1.7448 1.7459 2.3421 2.3441 2.3693 2.3712 8.8335 8.8342 9.3981 9.3990 10.9036 10.9040 11.9799 11.9808 k =-0.0846 0.6180 0.3413 ( 10464 PWs) bands (ev): -40.8555 -40.8555 -40.8320 -40.8320 -40.8310 -40.8310 -40.8097 -40.8097 -19.0614 -19.0614 -15.4825 -15.4825 -15.0464 -15.0462 -15.0456 -15.0454 -5.4933 -5.4933 -3.7739 -3.7735 -3.5962 -3.5957 -3.5302 -3.5297 -0.1988 -0.1951 0.1036 0.1042 0.2514 0.2593 0.6787 0.6900 0.8236 0.8325 1.7579 1.7591 2.3404 2.3427 2.3668 2.3690 8.8469 8.8477 9.4061 9.4070 10.9160 10.9164 11.9345 11.9353 k =-0.0967 0.6140 0.3505 ( 10466 PWs) bands (ev): -40.8552 -40.8552 -40.8326 -40.8326 -40.8312 -40.8312 -40.8092 -40.8092 -19.0620 -19.0620 -15.4802 -15.4802 -15.0469 -15.0466 -15.0461 -15.0458 -5.4933 -5.4932 -3.7691 -3.7688 -3.5934 -3.5929 -3.5295 -3.5290 -0.2206 -0.2170 0.0803 0.0809 0.2694 0.2779 0.6783 0.6912 0.8206 0.8307 1.7725 1.7739 2.3383 2.3410 2.3638 2.3664 8.8615 8.8624 9.4155 9.4166 10.9301 10.9305 11.8891 11.8898 k =-0.1087 0.6101 0.3597 ( 10462 PWs) bands (ev): -40.8549 -40.8549 -40.8332 -40.8332 -40.8315 -40.8315 -40.8087 -40.8087 -19.0627 -19.0627 -15.4777 -15.4777 -15.0474 -15.0472 -15.0466 -15.0463 -5.4933 -5.4933 -3.7638 -3.7634 -3.5903 -3.5898 -3.5288 -3.5282 -0.2430 -0.2395 0.0552 0.0557 0.2882 0.2972 0.6768 0.6912 0.8177 0.8290 1.7885 1.7899 2.3360 2.3390 2.3605 2.3634 8.8772 8.8781 9.4267 9.4279 10.9456 10.9461 11.8443 11.8450 k =-0.1208 0.6061 0.3689 ( 10462 PWs) bands (ev): -40.8545 -40.8545 -40.8338 -40.8338 -40.8318 -40.8318 -40.8081 -40.8081 -19.0634 -19.0634 -15.4749 -15.4749 -15.0480 -15.0477 -15.0471 -15.0468 -5.4934 -5.4934 -3.7579 -3.7575 -3.5870 -3.5864 -3.5280 -3.5273 -0.2658 -0.2624 0.0286 0.0291 0.3072 0.3167 0.6742 0.6899 0.8151 0.8272 1.8056 1.8072 2.3333 2.3366 2.3568 2.3600 8.8933 8.8943 9.4398 9.4410 10.9625 10.9630 11.8006 11.8012 k =-0.1329 0.6022 0.3782 ( 10466 PWs) bands (ev): -40.8542 -40.8542 -40.8345 -40.8345 -40.8321 -40.8321 -40.8075 -40.8075 -19.0643 -19.0643 -15.4719 -15.4719 -15.0486 -15.0483 -15.0477 -15.0474 -5.4937 -5.4936 -3.7515 -3.7510 -3.5833 -3.5826 -3.5271 -3.5264 -0.2887 -0.2855 0.0010 0.0015 0.3264 0.3363 0.6706 0.6872 0.8126 0.8253 1.8237 1.8254 2.3303 2.3339 2.3526 2.3562 8.9096 8.9106 9.4549 9.4561 10.9807 10.9812 11.7580 11.7585 k =-0.1450 0.5982 0.3874 ( 10469 PWs) bands (ev): -40.8537 -40.8537 -40.8351 -40.8351 -40.8325 -40.8325 -40.8069 -40.8069 -19.0651 -19.0651 -15.4686 -15.4686 -15.0492 -15.0490 -15.0483 -15.0480 -5.4940 -5.4939 -3.7446 -3.7440 -3.5793 -3.5786 -3.5262 -3.5253 -0.3117 -0.3086 -0.0274 -0.0269 0.3456 0.3559 0.6659 0.6834 0.8101 0.8233 1.8426 1.8444 2.3268 2.3308 2.3481 2.3520 8.9254 8.9265 9.4722 9.4735 10.9999 11.0005 11.7167 11.7171 k =-0.1571 0.5942 0.3966 ( 10468 PWs) bands (ev): -40.8533 -40.8533 -40.8358 -40.8358 -40.8328 -40.8328 -40.8063 -40.8063 -19.0661 -19.0661 -15.4651 -15.4651 -15.0499 -15.0496 -15.0490 -15.0487 -5.4945 -5.4944 -3.7371 -3.7365 -3.5751 -3.5743 -3.5251 -3.5242 -0.3345 -0.3317 -0.0563 -0.0558 0.3646 0.3753 0.6605 0.6786 0.8077 0.8211 1.8622 1.8640 2.3230 2.3272 2.3432 2.3473 8.9404 8.9415 9.4921 9.4933 11.0201 11.0208 11.6769 11.6771 k =-0.1692 0.5903 0.4058 ( 10472 PWs) bands (ev): -40.8528 -40.8528 -40.8365 -40.8365 -40.8332 -40.8332 -40.8057 -40.8057 -19.0671 -19.0671 -15.4614 -15.4613 -15.0506 -15.0503 -15.0497 -15.0494 -5.4952 -5.4952 -3.7292 -3.7286 -3.5706 -3.5697 -3.5240 -3.5230 -0.3571 -0.3545 -0.0855 -0.0850 0.3833 0.3945 0.6543 0.6728 0.8051 0.8185 1.8822 1.8841 2.3187 2.3232 2.3378 2.3422 8.9541 8.9551 9.5146 9.5158 11.0411 11.0418 11.6384 11.6385 k =-0.1812 0.5863 0.4150 ( 10464 PWs) bands (ev): -40.8523 -40.8523 -40.8372 -40.8372 -40.8337 -40.8337 -40.8051 -40.8051 -19.0681 -19.0681 -15.4574 -15.4574 -15.0513 -15.0510 -15.0504 -15.0501 -5.4962 -5.4961 -3.7209 -3.7202 -3.5659 -3.5650 -3.5228 -3.5218 -0.3794 -0.3770 -0.1147 -0.1142 0.4018 0.4134 0.6477 0.6664 0.8022 0.8154 1.9026 1.9045 2.3140 2.3187 2.3320 2.3366 8.9660 8.9669 9.5399 9.5410 11.0626 11.0634 11.6012 11.6012 k =-0.1933 0.5824 0.4243 ( 10454 PWs) bands (ev): -40.8518 -40.8518 -40.8379 -40.8379 -40.8341 -40.8341 -40.8044 -40.8044 -19.0692 -19.0692 -15.4533 -15.4533 -15.0521 -15.0518 -15.0512 -15.0509 -5.4973 -5.4972 -3.7122 -3.7115 -3.5611 -3.5600 -3.5216 -3.5204 -0.4012 -0.3991 -0.1439 -0.1434 0.4198 0.4318 0.6407 0.6595 0.7990 0.8119 1.9231 1.9251 2.3088 2.3137 2.3258 2.3306 8.9757 8.9767 9.5680 9.5690 11.0846 11.0854 11.5654 11.5656 k =-0.2054 0.5784 0.4335 ( 10449 PWs) bands (ev): -40.8512 -40.8512 -40.8386 -40.8386 -40.8346 -40.8346 -40.8038 -40.8038 -19.0704 -19.0704 -15.4489 -15.4489 -15.0528 -15.0525 -15.0520 -15.0517 -5.4988 -5.4987 -3.7031 -3.7024 -3.5561 -3.5549 -3.5202 -3.5190 -0.4226 -0.4206 -0.1728 -0.1723 0.4374 0.4498 0.6335 0.6524 0.7955 0.8080 1.9437 1.9458 2.3031 2.3082 2.3192 2.3241 8.9831 8.9840 9.5988 9.5997 11.1069 11.1077 11.5312 11.5315 k =-0.2175 0.5745 0.4427 ( 10452 PWs) bands (ev): -40.8507 -40.8507 -40.8393 -40.8393 -40.8351 -40.8351 -40.8032 -40.8032 -19.0716 -19.0716 -15.4445 -15.4444 -15.0535 -15.0533 -15.0528 -15.0525 -5.5005 -5.5004 -3.6937 -3.6930 -3.5509 -3.5497 -3.5188 -3.5175 -0.4433 -0.4416 -0.2013 -0.2008 0.4544 0.4673 0.6262 0.6451 0.7916 0.8035 1.9642 1.9663 2.2970 2.3021 2.3121 2.3171 8.9879 8.9887 9.6321 9.6330 11.1293 11.1303 11.4987 11.4992 k =-0.2296 0.5705 0.4519 ( 10448 PWs) bands (ev): -40.8501 -40.8501 -40.8400 -40.8400 -40.8356 -40.8356 -40.8026 -40.8026 -19.0728 -19.0728 -15.4398 -15.4398 -15.0543 -15.0540 -15.0535 -15.0533 -5.5025 -5.5024 -3.6841 -3.6833 -3.5457 -3.5444 -3.5173 -3.5159 -0.4634 -0.4619 -0.2293 -0.2289 0.4708 0.4842 0.6191 0.6379 0.7873 0.7987 1.9846 1.9867 2.2903 2.2954 2.3047 2.3096 8.9901 8.9907 9.6677 9.6685 11.1519 11.1529 11.4683 11.4690 k =-0.2417 0.5666 0.4612 ( 10453 PWs) bands (ev): -40.8495 -40.8495 -40.8407 -40.8407 -40.8362 -40.8362 -40.8020 -40.8020 -19.0741 -19.0741 -15.4351 -15.4350 -15.0550 -15.0548 -15.0543 -15.0541 -5.5049 -5.5048 -3.6743 -3.6735 -3.5404 -3.5390 -3.5158 -3.5143 -0.4828 -0.4815 -0.2566 -0.2562 0.4865 0.5004 0.6121 0.6309 0.7828 0.7935 2.0047 2.0069 2.2831 2.2881 2.2968 2.3016 8.9895 8.9901 9.7053 9.7060 11.1744 11.1755 11.4404 11.4412 k =-0.2537 0.5626 0.4704 ( 10460 PWs) bands (ev): -40.8489 -40.8489 -40.8413 -40.8413 -40.8367 -40.8367 -40.8014 -40.8014 -19.0754 -19.0754 -15.4302 -15.4302 -15.0558 -15.0555 -15.0551 -15.0549 -5.5076 -5.5075 -3.6643 -3.6636 -3.5351 -3.5336 -3.5141 -3.5125 -0.5015 -0.5003 -0.2833 -0.2829 0.5013 0.5158 0.6055 0.6241 0.7782 0.7881 2.0244 2.0267 2.2753 2.2801 2.2885 2.2931 8.9863 8.9868 9.7444 9.7451 11.1969 11.1980 11.4154 11.4164 k =-0.2658 0.5587 0.4796 ( 10458 PWs) bands (ev): -40.8482 -40.8482 -40.8420 -40.8420 -40.8373 -40.8373 -40.8009 -40.8009 -19.0767 -19.0767 -15.4252 -15.4252 -15.0565 -15.0562 -15.0559 -15.0557 -5.5106 -5.5105 -3.6544 -3.6536 -3.5298 -3.5282 -3.5123 -3.5106 -0.5193 -0.5183 -0.3090 -0.3087 0.5152 0.5302 0.5992 0.6177 0.7736 0.7826 2.0438 2.0460 2.2671 2.2715 2.2798 2.2841 8.9805 8.9810 9.7846 9.7852 11.2192 11.2205 11.3939 11.3950 k =-0.2779 0.5547 0.4888 ( 10453 PWs) bands (ev): -40.8476 -40.8476 -40.8426 -40.8426 -40.8378 -40.8378 -40.8003 -40.8003 -19.0781 -19.0781 -15.4201 -15.4201 -15.0571 -15.0570 -15.0566 -15.0564 -5.5140 -5.5140 -3.6444 -3.6436 -3.5245 -3.5229 -3.5103 -3.5086 -0.5363 -0.5355 -0.3339 -0.3336 0.5279 0.5435 0.5935 0.6118 0.7693 0.7774 2.0626 2.0649 2.2583 2.2624 2.2706 2.2745 8.9723 8.9727 9.8255 9.8260 11.2415 11.2428 11.3763 11.3776 k =-0.2900 0.5508 0.4981 ( 10456 PWs) bands (ev): -40.8471 -40.8471 -40.8432 -40.8432 -40.8383 -40.8383 -40.7998 -40.7998 -19.0794 -19.0794 -15.4150 -15.4150 -15.0578 -15.0576 -15.0573 -15.0572 -5.5178 -5.5178 -3.6345 -3.6338 -3.5194 -3.5176 -3.5082 -3.5064 -0.5525 -0.5518 -0.3578 -0.3576 0.5392 0.5553 0.5884 0.6064 0.7655 0.7726 2.0809 2.0832 2.2490 2.2526 2.2610 2.2644 8.9617 8.9621 9.8665 9.8669 11.2636 11.2650 11.3632 11.3645 k =-0.3021 0.5468 0.5073 ( 10461 PWs) bands (ev): -40.8466 -40.8466 -40.8438 -40.8438 -40.8388 -40.8388 -40.7993 -40.7993 -19.0808 -19.0808 -15.4099 -15.4099 -15.0584 -15.0583 -15.0580 -15.0579 -5.5220 -5.5219 -3.6249 -3.6242 -3.5144 -3.5126 -3.5058 -3.5040 -0.5678 -0.5673 -0.3806 -0.3804 0.5490 0.5654 0.5840 0.6016 0.7626 0.7686 2.0986 2.1009 2.2392 2.2423 2.2510 2.2539 8.9489 8.9493 9.9072 9.9076 11.2857 11.2872 11.3549 11.3564 k =-0.3142 0.5429 0.5165 ( 10465 PWs) bands (ev): -40.8462 -40.8462 -40.8444 -40.8444 -40.8391 -40.8391 -40.7988 -40.7988 -19.0822 -19.0822 -15.4047 -15.4047 -15.0590 -15.0589 -15.0586 -15.0585 -5.5265 -5.5265 -3.6155 -3.6149 -3.5095 -3.5079 -3.5030 -3.5013 -0.5822 -0.5818 -0.4023 -0.4022 0.5570 0.5726 0.5814 0.5975 0.7609 0.7657 2.1157 2.1179 2.2288 2.2315 2.2404 2.2428 8.9341 8.9344 9.9473 9.9477 11.3076 11.3092 11.3518 11.3534 k =-0.3262 0.5389 0.5257 ( 10465 PWs) bands (ev): -40.8459 -40.8459 -40.8449 -40.8449 -40.8393 -40.8393 -40.7983 -40.7983 -19.0836 -19.0836 -15.3996 -15.3996 -15.0596 -15.0595 -15.0591 -15.0591 -5.5315 -5.5314 -3.6066 -3.6061 -3.5049 -3.5036 -3.4996 -3.4984 -0.5958 -0.5955 -0.4229 -0.4227 0.5629 0.5739 0.5833 0.5942 0.7607 0.7642 2.1320 2.1342 2.2181 2.2202 2.2294 2.2312 8.9174 8.9176 9.9865 9.9868 11.3294 11.3311 11.3541 11.3558 k =-0.3383 0.5350 0.5350 ( 10475 PWs) bands (ev): -40.8459 -40.8459 -40.8454 -40.8454 -40.8393 -40.8393 -40.7978 -40.7978 -19.0849 -19.0849 -15.3944 -15.3944 -15.0600 -15.0600 -15.0596 -15.0596 -5.5368 -5.5367 -3.5982 -3.5978 -3.5004 -3.4997 -3.4958 -3.4951 -0.6085 -0.6083 -0.4421 -0.4420 0.5668 0.5722 0.5868 0.5917 0.7621 0.7645 2.1476 2.1497 2.2069 2.2086 2.2180 2.2192 8.8989 8.8990 10.0246 10.0247 11.3510 11.3529 11.3619 11.3638 k =-0.3504 0.5310 0.5442 ( 10481 PWs) bands (ev): -40.8460 -40.8460 -40.8459 -40.8459 -40.8392 -40.8392 -40.7974 -40.7974 -19.0863 -19.0863 -15.3893 -15.3893 -15.0605 -15.0605 -15.0601 -15.0601 -5.5424 -5.5424 -3.5904 -3.5902 -3.4962 -3.4960 -3.4917 -3.4915 -0.6204 -0.6203 -0.4601 -0.4601 0.5687 0.5704 0.5887 0.5899 0.7654 0.7665 2.1619 2.1637 2.1959 2.1971 2.2061 2.2068 8.8787 8.8788 10.0613 10.0614 11.3726 11.3745 11.3754 11.3772 k =-0.3625 0.5270 0.5534 ( 10489 PWs) bands (ev): -40.8464 -40.8464 -40.8464 -40.8464 -40.8388 -40.8388 -40.7970 -40.7970 -19.0877 -19.0877 -15.3843 -15.3843 -15.0608 -15.0608 -15.0604 -15.0604 -5.5484 -5.5484 -3.5834 -3.5834 -3.4921 -3.4921 -3.4876 -3.4876 -0.6316 -0.6316 -0.4768 -0.4768 0.5691 0.5691 0.5888 0.5888 0.7704 0.7704 2.1724 2.1724 2.1884 2.1884 2.1942 2.1942 8.8571 8.8571 10.0966 10.0966 11.3940 11.3940 11.3961 11.3961 k =-0.3625 0.5270 0.5534 ( 10489 PWs) bands (ev): -40.8464 -40.8464 -40.8464 -40.8464 -40.8388 -40.8388 -40.7970 -40.7970 -19.0877 -19.0877 -15.3843 -15.3843 -15.0608 -15.0608 -15.0604 -15.0604 -5.5484 -5.5484 -3.5834 -3.5834 -3.4921 -3.4921 -3.4876 -3.4876 -0.6316 -0.6316 -0.4768 -0.4768 0.5691 0.5691 0.5888 0.5888 0.7704 0.7704 2.1724 2.1724 2.1884 2.1884 2.1942 2.1942 8.8571 8.8571 10.0966 10.0966 11.3940 11.3940 11.3961 11.3961 k =-0.3690 0.5132 0.5534 ( 10481 PWs) bands (ev): -40.8472 -40.8472 -40.8472 -40.8472 -40.8380 -40.8380 -40.7962 -40.7962 -19.0901 -19.0901 -15.3756 -15.3756 -15.0614 -15.0614 -15.0610 -15.0610 -5.5594 -5.5594 -3.5721 -3.5721 -3.4852 -3.4852 -3.4807 -3.4807 -0.6496 -0.6496 -0.5042 -0.5042 0.5680 0.5680 0.5878 0.5878 0.7786 0.7786 2.1586 2.1586 2.1716 2.1716 2.2038 2.2038 8.8189 8.8189 10.1567 10.1567 11.4315 11.4315 11.4338 11.4338 k =-0.3756 0.4994 0.5534 ( 10501 PWs) bands (ev): -40.8479 -40.8479 -40.8479 -40.8479 -40.8372 -40.8372 -40.7956 -40.7956 -19.0925 -19.0925 -15.3669 -15.3669 -15.0619 -15.0619 -15.0615 -15.0615 -5.5709 -5.5709 -3.5608 -3.5608 -3.4784 -3.4784 -3.4738 -3.4738 -0.6657 -0.6657 -0.5306 -0.5306 0.5676 0.5676 0.5873 0.5873 0.7850 0.7850 2.1366 2.1366 2.1489 2.1489 2.2256 2.2256 8.7824 8.7824 10.2155 10.2155 11.4697 11.4697 11.4722 11.4722 k =-0.3821 0.4856 0.5534 ( 10493 PWs) bands (ev): -40.8487 -40.8487 -40.8487 -40.8487 -40.8365 -40.8365 -40.7949 -40.7949 -19.0949 -19.0949 -15.3582 -15.3582 -15.0624 -15.0624 -15.0620 -15.0620 -5.5826 -5.5826 -3.5498 -3.5498 -3.4716 -3.4716 -3.4671 -3.4671 -0.6802 -0.6802 -0.5560 -0.5560 0.5678 0.5678 0.5875 0.5875 0.7896 0.7896 2.1137 2.1137 2.1258 2.1258 2.2472 2.2472 8.7476 8.7476 10.2730 10.2730 11.5083 11.5083 11.5110 11.5110 k =-0.3887 0.4718 0.5534 ( 10493 PWs) bands (ev): -40.8494 -40.8494 -40.8493 -40.8493 -40.8357 -40.8357 -40.7943 -40.7943 -19.0972 -19.0972 -15.3496 -15.3496 -15.0629 -15.0629 -15.0625 -15.0625 -5.5945 -5.5945 -3.5389 -3.5389 -3.4650 -3.4650 -3.4605 -3.4605 -0.6930 -0.6930 -0.5802 -0.5802 0.5684 0.5684 0.5882 0.5882 0.7927 0.7927 2.0905 2.0905 2.1024 2.1024 2.2683 2.2683 8.7145 8.7145 10.3288 10.3288 11.5470 11.5470 11.5498 11.5498 k =-0.3952 0.4580 0.5534 ( 10481 PWs) bands (ev): -40.8500 -40.8500 -40.8500 -40.8500 -40.8351 -40.8351 -40.7936 -40.7936 -19.0995 -19.0995 -15.3412 -15.3412 -15.0633 -15.0633 -15.0629 -15.0629 -5.6064 -5.6064 -3.5284 -3.5284 -3.4586 -3.4586 -3.4541 -3.4541 -0.7043 -0.7043 -0.6033 -0.6033 0.5696 0.5696 0.5893 0.5893 0.7943 0.7943 2.0671 2.0671 2.0790 2.0790 2.2887 2.2887 8.6832 8.6832 10.3826 10.3826 11.5854 11.5854 11.5885 11.5885 k =-0.4018 0.4442 0.5534 ( 10473 PWs) bands (ev): -40.8506 -40.8506 -40.8506 -40.8506 -40.8344 -40.8344 -40.7931 -40.7931 -19.1017 -19.1017 -15.3330 -15.3330 -15.0637 -15.0637 -15.0632 -15.0632 -5.6184 -5.6184 -3.5181 -3.5181 -3.4524 -3.4524 -3.4479 -3.4479 -0.7141 -0.7141 -0.6251 -0.6251 0.5712 0.5712 0.5910 0.5910 0.7946 0.7946 2.0439 2.0439 2.0556 2.0556 2.3082 2.3082 8.6536 8.6536 10.4343 10.4343 11.6233 11.6233 11.6267 11.6267 k =-0.4083 0.4304 0.5534 ( 10465 PWs) bands (ev): -40.8512 -40.8512 -40.8512 -40.8512 -40.8338 -40.8338 -40.7925 -40.7925 -19.1039 -19.1039 -15.3251 -15.3251 -15.0640 -15.0640 -15.0636 -15.0636 -5.6301 -5.6301 -3.5083 -3.5083 -3.4465 -3.4465 -3.4419 -3.4419 -0.7225 -0.7225 -0.6457 -0.6457 0.5732 0.5732 0.5930 0.5930 0.7939 0.7939 2.0209 2.0209 2.0325 2.0325 2.3269 2.3269 8.6259 8.6259 10.4834 10.4834 11.6605 11.6605 11.6640 11.6640 k =-0.4149 0.4166 0.5534 ( 10485 PWs) bands (ev): -40.8518 -40.8518 -40.8518 -40.8518 -40.8333 -40.8333 -40.7920 -40.7920 -19.1059 -19.1059 -15.3174 -15.3174 -15.0643 -15.0643 -15.0639 -15.0639 -5.6417 -5.6417 -3.4989 -3.4989 -3.4408 -3.4408 -3.4362 -3.4362 -0.7296 -0.7296 -0.6651 -0.6651 0.5755 0.5755 0.5954 0.5954 0.7921 0.7921 1.9984 1.9984 2.0100 2.0100 2.3445 2.3445 8.6000 8.6000 10.5297 10.5297 11.6966 11.6966 11.7003 11.7003 k =-0.4214 0.4028 0.5534 ( 10469 PWs) bands (ev): -40.8523 -40.8523 -40.8523 -40.8523 -40.8328 -40.8328 -40.7915 -40.7915 -19.1079 -19.1079 -15.3102 -15.3102 -15.0646 -15.0646 -15.0642 -15.0642 -5.6528 -5.6528 -3.4900 -3.4900 -3.4354 -3.4354 -3.4308 -3.4308 -0.7356 -0.7356 -0.6831 -0.6831 0.5781 0.5781 0.5981 0.5981 0.7896 0.7896 1.9765 1.9765 1.9881 1.9881 2.3611 2.3611 8.5759 8.5759 10.5728 10.5728 11.7313 11.7313 11.7353 11.7353 k =-0.4280 0.3890 0.5534 ( 10477 PWs) bands (ev): -40.8528 -40.8528 -40.8528 -40.8528 -40.8323 -40.8323 -40.7911 -40.7911 -19.1098 -19.1098 -15.3033 -15.3033 -15.0649 -15.0649 -15.0644 -15.0644 -5.6635 -5.6635 -3.4816 -3.4816 -3.4303 -3.4303 -3.4257 -3.4257 -0.7405 -0.7405 -0.6997 -0.6997 0.5810 0.5810 0.6009 0.6009 0.7865 0.7865 1.9555 1.9555 1.9670 1.9670 2.3766 2.3766 8.5537 8.5537 10.6126 10.6126 11.7644 11.7644 11.7686 11.7686 k =-0.4345 0.3752 0.5534 ( 10481 PWs) bands (ev): -40.8532 -40.8532 -40.8532 -40.8532 -40.8319 -40.8319 -40.7907 -40.7907 -19.1115 -19.1115 -15.2968 -15.2968 -15.0651 -15.0651 -15.0647 -15.0647 -5.6736 -5.6736 -3.4738 -3.4738 -3.4255 -3.4255 -3.4209 -3.4209 -0.7445 -0.7445 -0.7151 -0.7151 0.5839 0.5839 0.6040 0.6040 0.7829 0.7829 1.9356 1.9356 1.9470 1.9470 2.3910 2.3910 8.5333 8.5333 10.6488 10.6488 11.7956 11.7956 11.8000 11.8000 k =-0.4411 0.3614 0.5534 ( 10481 PWs) bands (ev): -40.8536 -40.8536 -40.8536 -40.8536 -40.8315 -40.8315 -40.7903 -40.7903 -19.1131 -19.1131 -15.2909 -15.2909 -15.0653 -15.0653 -15.0649 -15.0649 -5.6830 -5.6830 -3.4666 -3.4666 -3.4212 -3.4212 -3.4165 -3.4165 -0.7477 -0.7477 -0.7290 -0.7290 0.5869 0.5869 0.6071 0.6071 0.7791 0.7791 1.9169 1.9169 1.9283 1.9283 2.4041 2.4041 8.5148 8.5148 10.6812 10.6812 11.8246 11.8246 11.8293 11.8293 k =-0.4476 0.3476 0.5534 ( 10481 PWs) bands (ev): -40.8540 -40.8540 -40.8539 -40.8539 -40.8311 -40.8311 -40.7899 -40.7899 -19.1145 -19.1145 -15.2854 -15.2854 -15.0655 -15.0655 -15.0651 -15.0651 -5.6917 -5.6917 -3.4600 -3.4600 -3.4172 -3.4172 -3.4126 -3.4126 -0.7502 -0.7502 -0.7415 -0.7415 0.5899 0.5899 0.6101 0.6101 0.7752 0.7752 1.8996 1.8996 1.9109 1.9109 2.4160 2.4160 8.4983 8.4983 10.7099 10.7099 11.8513 11.8513 11.8562 11.8562 k =-0.4542 0.3338 0.5534 ( 10482 PWs) bands (ev): -40.8543 -40.8543 -40.8543 -40.8543 -40.8308 -40.8308 -40.7896 -40.7896 -19.1159 -19.1159 -15.2805 -15.2805 -15.0656 -15.0656 -15.0652 -15.0652 -5.6996 -5.6996 -3.4542 -3.4542 -3.4137 -3.4137 -3.4090 -3.4090 -0.7526 -0.7526 -0.7521 -0.7521 0.5928 0.5928 0.6131 0.6131 0.7714 0.7714 1.8838 1.8838 1.8951 1.8951 2.4266 2.4266 8.4836 8.4836 10.7348 10.7348 11.8754 11.8754 11.8804 11.8804 k =-0.4607 0.3200 0.5534 ( 10486 PWs) bands (ev): -40.8545 -40.8545 -40.8545 -40.8545 -40.8305 -40.8305 -40.7894 -40.7894 -19.1170 -19.1170 -15.2762 -15.2762 -15.0657 -15.0657 -15.0653 -15.0653 -5.7066 -5.7066 -3.4490 -3.4490 -3.4105 -3.4105 -3.4059 -3.4059 -0.7622 -0.7622 -0.7536 -0.7536 0.5955 0.5955 0.6158 0.6158 0.7678 0.7678 1.8698 1.8698 1.8811 1.8811 2.4358 2.4358 8.4709 8.4709 10.7560 10.7560 11.8966 11.8966 11.9019 11.9019 k =-0.4673 0.3062 0.5534 ( 10454 PWs) bands (ev): -40.8548 -40.8548 -40.8548 -40.8548 -40.8303 -40.8303 -40.7891 -40.7891 -19.1180 -19.1180 -15.2725 -15.2725 -15.0658 -15.0658 -15.0654 -15.0654 -5.7126 -5.7126 -3.4446 -3.4446 -3.4079 -3.4079 -3.4032 -3.4032 -0.7704 -0.7704 -0.7546 -0.7546 0.5980 0.5980 0.6183 0.6183 0.7644 0.7644 1.8577 1.8577 1.8690 1.8690 2.4437 2.4437 8.4601 8.4601 10.7736 10.7736 11.9150 11.9150 11.9204 11.9204 k =-0.4738 0.2924 0.5534 ( 10442 PWs) bands (ev): -40.8550 -40.8550 -40.8550 -40.8550 -40.8301 -40.8301 -40.7890 -40.7890 -19.1188 -19.1188 -15.2695 -15.2695 -15.0659 -15.0659 -15.0655 -15.0655 -5.7176 -5.7176 -3.4410 -3.4410 -3.4057 -3.4057 -3.4010 -3.4010 -0.7771 -0.7771 -0.7553 -0.7553 0.6001 0.6001 0.6205 0.6205 0.7616 0.7616 1.8476 1.8476 1.8588 1.8588 2.4502 2.4502 8.4513 8.4513 10.7877 10.7877 11.9301 11.9301 11.9358 11.9358 k =-0.4804 0.2786 0.5534 ( 10434 PWs) bands (ev): -40.8551 -40.8551 -40.8551 -40.8551 -40.8300 -40.8300 -40.7888 -40.7888 -19.1194 -19.1194 -15.2671 -15.2671 -15.0660 -15.0660 -15.0656 -15.0656 -5.7215 -5.7215 -3.4382 -3.4382 -3.4040 -3.4040 -3.3993 -3.3993 -0.7823 -0.7823 -0.7558 -0.7558 0.6018 0.6018 0.6223 0.6223 0.7592 0.7592 1.8397 1.8397 1.8508 1.8508 2.4552 2.4552 8.4444 8.4444 10.7985 10.7985 11.9421 11.9421 11.9478 11.9478 k =-0.4869 0.2648 0.5534 ( 10446 PWs) bands (ev): -40.8552 -40.8552 -40.8552 -40.8552 -40.8299 -40.8299 -40.7887 -40.7887 -19.1199 -19.1199 -15.2654 -15.2654 -15.0661 -15.0661 -15.0656 -15.0656 -5.7243 -5.7243 -3.4361 -3.4361 -3.4027 -3.4027 -3.3980 -3.3980 -0.7860 -0.7860 -0.7561 -0.7561 0.6030 0.6030 0.6235 0.6235 0.7575 0.7575 1.8339 1.8339 1.8450 1.8450 2.4589 2.4589 8.4395 8.4395 10.8060 10.8060 11.9507 11.9507 11.9565 11.9565 k =-0.4935 0.2510 0.5534 ( 10446 PWs) bands (ev): -40.8553 -40.8553 -40.8553 -40.8553 -40.8298 -40.8298 -40.7887 -40.7887 -19.1202 -19.1202 -15.2643 -15.2643 -15.0661 -15.0661 -15.0657 -15.0657 -5.7260 -5.7260 -3.4349 -3.4349 -3.4020 -3.4020 -3.3973 -3.3973 -0.7883 -0.7883 -0.7563 -0.7563 0.6038 0.6038 0.6243 0.6243 0.7564 0.7564 1.8304 1.8304 1.8415 1.8415 2.4610 2.4610 8.4365 8.4365 10.8105 10.8105 11.9559 11.9559 11.9618 11.9618 k =-0.5000 0.2372 0.5534 ( 10454 PWs) bands (ev): -40.8553 -40.8553 -40.8553 -40.8553 -40.8298 -40.8298 -40.7886 -40.7886 -19.1203 -19.1203 -15.2640 -15.2640 -15.0661 -15.0661 -15.0657 -15.0657 -5.7266 -5.7266 -3.4345 -3.4345 -3.4017 -3.4017 -3.3970 -3.3970 -0.7890 -0.7890 -0.7563 -0.7563 0.6040 0.6040 0.6246 0.6246 0.7561 0.7561 1.8292 1.8292 1.8404 1.8404 2.4618 2.4618 8.4355 8.4355 10.8120 10.8120 11.9576 11.9576 11.9635 11.9635 k = 0.0000 0.0000 0.5534 ( 10396 PWs) bands (ev): -40.8688 -40.8688 -40.8553 -40.8553 -40.8052 -40.8052 -40.7998 -40.7998 -19.1120 -19.1120 -15.3140 -15.3140 -15.0728 -15.0728 -14.9952 -14.9952 -5.7904 -5.7904 -3.6136 -3.6136 -3.6074 -3.6074 -3.3868 -3.3868 -0.9444 -0.9444 -0.1442 -0.1442 0.2292 0.2292 1.0591 1.0591 1.1384 1.1384 1.6916 1.6916 1.9807 1.9807 2.3277 2.3277 8.0363 8.0363 10.7380 10.7380 11.9594 11.9594 12.0326 12.0326 k = 0.0068 0.0142 0.5534 ( 10422 PWs) bands (ev): -40.8688 -40.8688 -40.8553 -40.8553 -40.8052 -40.8052 -40.7998 -40.7998 -19.1119 -19.1119 -15.3144 -15.3144 -15.0728 -15.0728 -14.9952 -14.9952 -5.7898 -5.7898 -3.6137 -3.6137 -3.6075 -3.6075 -3.3871 -3.3871 -0.9437 -0.9437 -0.1437 -0.1437 0.2294 0.2294 1.0589 1.0589 1.1378 1.1378 1.6927 1.6927 1.9812 1.9812 2.3268 2.3268 8.0367 8.0367 10.7386 10.7386 11.9510 11.9510 12.0324 12.0324 k = 0.0135 0.0285 0.5534 ( 10414 PWs) bands (ev): -40.8687 -40.8687 -40.8552 -40.8552 -40.8053 -40.8053 -40.7998 -40.7998 -19.1116 -19.1116 -15.3153 -15.3153 -15.0728 -15.0728 -14.9954 -14.9954 -5.7882 -5.7882 -3.6141 -3.6141 -3.6079 -3.6079 -3.3880 -3.3880 -0.9413 -0.9413 -0.1420 -0.1420 0.2302 0.2302 1.0583 1.0583 1.1361 1.1361 1.6961 1.6961 1.9828 1.9828 2.3242 2.3242 8.0380 8.0380 10.7403 10.7403 11.9261 11.9261 12.0315 12.0315 k = 0.0203 0.0427 0.5534 ( 10418 PWs) bands (ev): -40.8686 -40.8686 -40.8551 -40.8551 -40.8054 -40.8054 -40.7999 -40.7999 -19.1112 -19.1112 -15.3169 -15.3169 -15.0727 -15.0727 -14.9957 -14.9957 -5.7855 -5.7855 -3.6149 -3.6149 -3.6086 -3.6086 -3.3896 -3.3896 -0.9374 -0.9374 -0.1392 -0.1392 0.2314 0.2314 1.0573 1.0573 1.1331 1.1331 1.7016 1.7016 1.9853 1.9853 2.3198 2.3198 8.0401 8.0401 10.7430 10.7430 11.8856 11.8856 12.0300 12.0300 k = 0.0270 0.0570 0.5534 ( 10426 PWs) bands (ev): -40.8685 -40.8685 -40.8550 -40.8550 -40.8055 -40.8055 -40.8001 -40.8001 -19.1105 -19.1105 -15.3191 -15.3191 -15.0726 -15.0726 -14.9961 -14.9961 -5.7818 -5.7818 -3.6160 -3.6160 -3.6094 -3.6094 -3.3918 -3.3918 -0.9320 -0.9320 -0.1353 -0.1353 0.2332 0.2332 1.0558 1.0558 1.1290 1.1290 1.7092 1.7092 1.9888 1.9888 2.3137 2.3137 8.0430 8.0430 10.7470 10.7470 11.8310 11.8310 12.0279 12.0279 k = 0.0338 0.0712 0.5534 ( 10418 PWs) bands (ev): -40.8683 -40.8683 -40.8548 -40.8548 -40.8057 -40.8057 -40.8002 -40.8002 -19.1097 -19.1097 -15.3219 -15.3219 -15.0724 -15.0724 -14.9966 -14.9966 -5.7771 -5.7771 -3.6173 -3.6173 -3.6105 -3.6105 -3.3946 -3.3946 -0.9250 -0.9250 -0.1303 -0.1303 0.2355 0.2355 1.0539 1.0539 1.1236 1.1236 1.7190 1.7190 1.9934 1.9934 2.3059 2.3059 8.0467 8.0467 10.7521 10.7521 11.7638 11.7638 12.0252 12.0252 k = 0.0405 0.0855 0.5534 ( 10422 PWs) bands (ev): -40.8681 -40.8681 -40.8545 -40.8545 -40.8060 -40.8060 -40.8004 -40.8004 -19.1087 -19.1087 -15.3253 -15.3253 -15.0723 -15.0723 -14.9972 -14.9972 -5.7713 -5.7713 -3.6191 -3.6191 -3.6117 -3.6117 -3.3980 -3.3980 -0.9163 -0.9163 -0.1242 -0.1242 0.2383 0.2383 1.0514 1.0514 1.1170 1.1170 1.7308 1.7308 1.9991 1.9991 2.2964 2.2964 8.0512 8.0512 10.7584 10.7584 11.6858 11.6858 12.0218 12.0218 k = 0.0473 0.0997 0.5534 ( 10432 PWs) bands (ev): -40.8679 -40.8679 -40.8542 -40.8542 -40.8063 -40.8063 -40.8006 -40.8006 -19.1076 -19.1076 -15.3292 -15.3292 -15.0721 -15.0721 -14.9979 -14.9979 -5.7646 -5.7646 -3.6211 -3.6211 -3.6131 -3.6131 -3.4019 -3.4019 -0.9061 -0.9061 -0.1171 -0.1171 0.2417 0.2417 1.0482 1.0482 1.1091 1.1091 1.7445 1.7445 2.0058 2.0058 2.2854 2.2854 8.0566 8.0566 10.7659 10.7659 11.5989 11.5989 12.0178 12.0178 k = 0.0541 0.1140 0.5534 ( 10440 PWs) bands (ev): -40.8676 -40.8676 -40.8539 -40.8539 -40.8066 -40.8066 -40.8009 -40.8009 -19.1063 -19.1063 -15.3337 -15.3337 -15.0718 -15.0718 -14.9987 -14.9987 -5.7571 -5.7571 -3.6235 -3.6235 -3.6146 -3.6146 -3.4064 -3.4064 -0.8942 -0.8942 -0.1089 -0.1089 0.2456 0.2456 1.0445 1.0445 1.0999 1.0999 1.7602 1.7602 2.0136 2.0136 2.2728 2.2728 8.0629 8.0629 10.7748 10.7748 11.5046 11.5046 12.0131 12.0131 k = 0.0608 0.1282 0.5534 ( 10446 PWs) bands (ev): -40.8673 -40.8673 -40.8535 -40.8535 -40.8070 -40.8070 -40.8012 -40.8012 -19.1048 -19.1048 -15.3386 -15.3386 -15.0716 -15.0716 -14.9996 -14.9996 -5.7487 -5.7487 -3.6263 -3.6263 -3.6162 -3.6162 -3.4113 -3.4113 -0.8807 -0.8807 -0.0998 -0.0998 0.2501 0.2501 1.0399 1.0399 1.0894 1.0894 1.7775 1.7775 2.0225 2.0225 2.2587 2.2587 8.0700 8.0700 10.7850 10.7850 11.4045 11.4045 12.0077 12.0077 k = 0.0676 0.1424 0.5534 ( 10446 PWs) bands (ev): -40.8670 -40.8670 -40.8531 -40.8531 -40.8074 -40.8074 -40.8015 -40.8015 -19.1033 -19.1033 -15.3440 -15.3440 -15.0712 -15.0712 -15.0006 -15.0006 -5.7395 -5.7395 -3.6294 -3.6294 -3.6179 -3.6179 -3.4168 -3.4168 -0.8655 -0.8655 -0.0897 -0.0897 0.2552 0.2552 1.0345 1.0345 1.0776 1.0776 1.7965 1.7965 2.0325 2.0325 2.2431 2.2431 8.0779 8.0779 10.7966 10.7966 11.2998 11.2998 12.0016 12.0016 k = 0.0743 0.1567 0.5534 ( 10438 PWs) bands (ev): -40.8666 -40.8666 -40.8526 -40.8526 -40.8078 -40.8078 -40.8018 -40.8018 -19.1016 -19.1016 -15.3498 -15.3498 -15.0709 -15.0709 -15.0017 -15.0017 -5.7296 -5.7296 -3.6328 -3.6328 -3.6196 -3.6196 -3.4227 -3.4227 -0.8487 -0.8487 -0.0786 -0.0786 0.2609 0.2609 1.0281 1.0281 1.0645 1.0645 1.8170 1.8170 2.0435 2.0435 2.2263 2.2263 8.0867 8.0867 10.8096 10.8096 11.1918 11.1918 11.9948 11.9948 k = 0.0811 0.1709 0.5534 ( 10450 PWs) bands (ev): -40.8663 -40.8663 -40.8521 -40.8521 -40.8083 -40.8083 -40.8022 -40.8022 -19.0997 -19.0997 -15.3560 -15.3560 -15.0705 -15.0705 -15.0028 -15.0028 -5.7190 -5.7190 -3.6365 -3.6365 -3.6213 -3.6213 -3.4290 -3.4290 -0.8301 -0.8301 -0.0667 -0.0667 0.2672 0.2672 1.0206 1.0206 1.0503 1.0503 1.8389 1.8389 2.0555 2.0555 2.2082 2.2082 8.0964 8.0964 10.8242 10.8242 11.0813 11.0813 11.9873 11.9873 k = 0.0878 0.1852 0.5534 ( 10454 PWs) bands (ev): -40.8658 -40.8658 -40.8516 -40.8516 -40.8088 -40.8088 -40.8026 -40.8026 -19.0978 -19.0978 -15.3626 -15.3626 -15.0701 -15.0701 -15.0041 -15.0041 -5.7079 -5.7079 -3.6406 -3.6406 -3.6231 -3.6231 -3.4357 -3.4357 -0.8098 -0.8098 -0.0539 -0.0539 0.2742 0.2742 1.0115 1.0115 1.0351 1.0351 1.8621 1.8621 2.0686 2.0686 2.1890 2.1890 8.1069 8.1069 10.8403 10.8403 10.9693 10.9693 11.9791 11.9791 k = 0.0946 0.1994 0.5534 ( 10434 PWs) bands (ev): -40.8654 -40.8654 -40.8510 -40.8510 -40.8094 -40.8094 -40.8030 -40.8030 -19.0958 -19.0958 -15.3694 -15.3694 -15.0696 -15.0696 -15.0054 -15.0054 -5.6964 -5.6964 -3.6448 -3.6448 -3.6248 -3.6248 -3.4427 -3.4427 -0.7878 -0.7878 -0.0403 -0.0403 0.2817 0.2817 1.0000 1.0000 1.0199 1.0199 1.8863 1.8863 2.0825 2.0825 2.1688 2.1688 8.1184 8.1184 10.8564 10.8564 10.8580 10.8580 11.9702 11.9702 k = 0.1014 0.2137 0.5534 ( 10430 PWs) bands (ev): -40.8649 -40.8649 -40.8503 -40.8503 -40.8100 -40.8100 -40.8035 -40.8035 -19.0937 -19.0937 -15.3764 -15.3764 -15.0691 -15.0691 -15.0068 -15.0068 -5.6844 -5.6844 -3.6493 -3.6493 -3.6265 -3.6265 -3.4499 -3.4499 -0.7641 -0.7641 -0.0261 -0.0261 0.2899 0.2899 0.9850 0.9850 1.0056 1.0056 1.9114 1.9114 2.0972 2.0972 2.1478 2.1478 8.1308 8.1308 10.7433 10.7433 10.8773 10.8773 11.9607 11.9607 k = 0.1081 0.2279 0.5534 ( 10454 PWs) bands (ev): -40.8645 -40.8645 -40.8497 -40.8497 -40.8107 -40.8107 -40.8039 -40.8039 -19.0915 -19.0915 -15.3836 -15.3836 -15.0685 -15.0685 -15.0083 -15.0083 -5.6721 -5.6721 -3.6541 -3.6541 -3.6281 -3.6281 -3.4575 -3.4575 -0.7387 -0.7387 -0.0112 -0.0112 0.2988 0.2988 0.9662 0.9662 0.9925 0.9925 1.9373 1.9373 2.1113 2.1113 2.1272 2.1272 8.1442 8.1442 10.6305 10.6305 10.8982 10.8982 11.9505 11.9505 k = 0.1149 0.2422 0.5534 ( 10462 PWs) bands (ev): -40.8640 -40.8640 -40.8490 -40.8490 -40.8113 -40.8113 -40.8044 -40.8044 -19.0894 -19.0894 -15.3910 -15.3910 -15.0679 -15.0679 -15.0098 -15.0098 -5.6596 -5.6596 -3.6590 -3.6590 -3.6296 -3.6296 -3.4652 -3.4652 -0.7117 -0.7117 0.0043 0.0043 0.3083 0.3083 0.9445 0.9445 0.9798 0.9798 1.9637 1.9637 2.1013 2.1013 2.1307 2.1307 8.1587 8.1587 10.5184 10.5184 10.9208 10.9208 11.9398 11.9398 k = 0.1216 0.2564 0.5534 ( 10454 PWs) bands (ev): -40.8634 -40.8634 -40.8483 -40.8483 -40.8121 -40.8121 -40.8049 -40.8049 -19.0871 -19.0871 -15.3984 -15.3984 -15.0673 -15.0673 -15.0114 -15.0114 -5.6469 -5.6469 -3.6640 -3.6640 -3.6310 -3.6310 -3.4731 -3.4731 -0.6829 -0.6829 0.0203 0.0203 0.3185 0.3185 0.9205 0.9205 0.9668 0.9668 1.9905 1.9905 2.0787 2.0787 2.1470 2.1470 8.1741 8.1741 10.4074 10.4074 10.9451 10.9451 11.9285 11.9285 k = 0.1284 0.2706 0.5534 ( 10458 PWs) bands (ev): -40.8629 -40.8629 -40.8475 -40.8475 -40.8128 -40.8128 -40.8054 -40.8054 -19.0849 -19.0849 -15.4058 -15.4058 -15.0666 -15.0666 -15.0131 -15.0131 -5.6342 -5.6342 -3.6692 -3.6692 -3.6323 -3.6323 -3.4811 -3.4811 -0.6525 -0.6525 0.0367 0.0367 0.3293 0.3293 0.8946 0.8946 0.9531 0.9531 2.0172 2.0172 2.0555 2.0555 2.1641 2.1641 8.1907 8.1907 10.2979 10.2979 10.9710 10.9710 11.9166 11.9166 k = 0.1351 0.2849 0.5534 ( 10462 PWs) bands (ev): -40.8624 -40.8624 -40.8467 -40.8467 -40.8136 -40.8136 -40.8059 -40.8059 -19.0826 -19.0826 -15.4132 -15.4132 -15.0659 -15.0659 -15.0148 -15.0148 -5.6215 -5.6215 -3.6744 -3.6744 -3.6334 -3.6334 -3.4893 -3.4893 -0.6205 -0.6205 0.0535 0.0535 0.3408 0.3408 0.8669 0.8669 0.9388 0.9388 2.0289 2.0289 2.0470 2.0470 2.1815 2.1815 8.2085 8.2085 10.1902 10.1902 10.9985 10.9985 11.9043 11.9043 k = 0.1419 0.2991 0.5534 ( 10474 PWs) bands (ev): -40.8619 -40.8619 -40.8459 -40.8459 -40.8144 -40.8144 -40.8064 -40.8064 -19.0804 -19.0804 -15.4205 -15.4205 -15.0651 -15.0651 -15.0165 -15.0165 -5.6090 -5.6090 -3.6797 -3.6797 -3.6343 -3.6343 -3.4974 -3.4974 -0.5869 -0.5869 0.0704 0.0704 0.3529 0.3529 0.8375 0.8375 0.9237 0.9237 2.0062 2.0062 2.0727 2.0727 2.1991 2.1991 8.2275 8.2275 10.0845 10.0845 11.0276 11.0276 11.8914 11.8914 k = 0.1486 0.3134 0.5534 ( 10478 PWs) bands (ev): -40.8613 -40.8613 -40.8450 -40.8450 -40.8152 -40.8152 -40.8069 -40.8069 -19.0782 -19.0782 -15.4277 -15.4277 -15.0642 -15.0642 -15.0183 -15.0183 -5.5967 -5.5967 -3.6849 -3.6849 -3.6349 -3.6349 -3.5056 -3.5056 -0.5519 -0.5519 0.0874 0.0874 0.3657 0.3657 0.8065 0.8065 0.9080 0.9080 1.9823 1.9823 2.0993 2.0993 2.2166 2.2166 8.2478 8.2478 9.9810 9.9810 11.0581 11.0581 11.8782 11.8782 k = 0.1554 0.3276 0.5534 ( 10478 PWs) bands (ev): -40.8608 -40.8608 -40.8442 -40.8442 -40.8161 -40.8161 -40.8074 -40.8074 -19.0761 -19.0761 -15.4347 -15.4347 -15.0633 -15.0633 -15.0200 -15.0200 -5.5847 -5.5847 -3.6901 -3.6901 -3.6354 -3.6354 -3.5137 -3.5137 -0.5155 -0.5155 0.1044 0.1044 0.3791 0.3791 0.7739 0.7739 0.8915 0.8915 1.9585 1.9585 2.1255 2.1255 2.2338 2.2338 8.2696 8.2696 9.8800 9.8800 11.0899 11.0899 11.8644 11.8644 k = 0.1622 0.3419 0.5534 ( 10444 PWs) bands (ev): -40.8603 -40.8603 -40.8432 -40.8432 -40.8169 -40.8169 -40.8079 -40.8079 -19.0740 -19.0740 -15.4415 -15.4415 -15.0624 -15.0624 -15.0219 -15.0219 -5.5731 -5.5731 -3.6952 -3.6952 -3.6355 -3.6355 -3.5218 -3.5218 -0.4778 -0.4778 0.1212 0.1212 0.3931 0.3931 0.7398 0.7398 0.8745 0.8745 1.9351 1.9351 2.1511 2.1511 2.2506 2.2506 8.2929 8.2929 9.7816 9.7816 11.1230 11.1230 11.8503 11.8503 k = 0.1689 0.3561 0.5534 ( 10462 PWs) bands (ev): -40.8598 -40.8598 -40.8423 -40.8423 -40.8179 -40.8179 -40.8084 -40.8084 -19.0720 -19.0720 -15.4479 -15.4479 -15.0614 -15.0614 -15.0237 -15.0237 -5.5620 -5.5620 -3.7002 -3.7002 -3.6354 -3.6354 -3.5297 -3.5297 -0.4389 -0.4389 0.1377 0.1377 0.4077 0.4077 0.7043 0.7043 0.8568 0.8568 1.9123 1.9123 2.1759 2.1759 2.2669 2.2669 8.3177 8.3177 9.6860 9.6860 11.1572 11.1572 11.8356 11.8356 k = 0.1757 0.3704 0.5534 ( 10454 PWs) bands (ev): -40.8593 -40.8593 -40.8414 -40.8414 -40.8188 -40.8188 -40.8089 -40.8089 -19.0702 -19.0702 -15.4541 -15.4541 -15.0603 -15.0603 -15.0255 -15.0255 -5.5514 -5.5514 -3.7050 -3.7050 -3.6350 -3.6350 -3.5376 -3.5376 -0.3990 -0.3990 0.1537 0.1537 0.4229 0.4229 0.6677 0.6677 0.8387 0.8387 1.8903 1.8903 2.1997 2.1997 2.2824 2.2824 8.3444 8.3444 9.5934 9.5934 11.1923 11.1923 11.8205 11.8205 k = 0.1824 0.3846 0.5534 ( 10458 PWs) bands (ev): -40.8588 -40.8588 -40.8404 -40.8404 -40.8197 -40.8197 -40.8094 -40.8094 -19.0684 -19.0684 -15.4598 -15.4598 -15.0592 -15.0592 -15.0274 -15.0274 -5.5415 -5.5415 -3.7095 -3.7095 -3.6343 -3.6343 -3.5452 -3.5452 -0.3582 -0.3582 0.1691 0.1691 0.4386 0.4386 0.6299 0.6299 0.8201 0.8201 1.8692 1.8692 2.2223 2.2223 2.2969 2.2969 8.3728 8.3728 9.5038 9.5038 11.2281 11.2281 11.8049 11.8049 k = 0.1892 0.3988 0.5534 ( 10458 PWs) bands (ev): -40.8584 -40.8584 -40.8394 -40.8394 -40.8207 -40.8207 -40.8098 -40.8098 -19.0667 -19.0667 -15.4652 -15.4652 -15.0580 -15.0580 -15.0292 -15.0292 -5.5323 -5.5323 -3.7138 -3.7138 -3.6333 -3.6333 -3.5527 -3.5527 -0.3167 -0.3167 0.1838 0.1838 0.4549 0.4549 0.5912 0.5912 0.8011 0.8011 1.8493 1.8493 2.2436 2.2436 2.3103 2.3103 8.4032 8.4032 9.4173 9.4173 11.2643 11.2643 11.7886 11.7886 k = 0.1959 0.4131 0.5534 ( 10468 PWs) bands (ev): -40.8580 -40.8580 -40.8384 -40.8384 -40.8217 -40.8217 -40.8102 -40.8102 -19.0652 -19.0652 -15.4701 -15.4701 -15.0568 -15.0568 -15.0311 -15.0311 -5.5238 -5.5238 -3.7177 -3.7177 -3.6319 -3.6319 -3.5599 -3.5599 -0.2749 -0.2749 0.1975 0.1975 0.4715 0.4715 0.5520 0.5520 0.7817 0.7817 1.8308 1.8308 2.2634 2.2634 2.3225 2.3225 8.4357 8.4357 9.3340 9.3340 11.3006 11.3006 11.7718 11.7718 k = 0.2027 0.4273 0.5534 ( 10464 PWs) bands (ev): -40.8576 -40.8576 -40.8374 -40.8374 -40.8227 -40.8227 -40.8106 -40.8106 -19.0638 -19.0638 -15.4745 -15.4745 -15.0555 -15.0555 -15.0329 -15.0329 -5.5162 -5.5162 -3.7213 -3.7213 -3.6302 -3.6302 -3.5669 -3.5669 -0.2330 -0.2330 0.2101 0.2101 0.4879 0.4879 0.5133 0.5133 0.7621 0.7621 1.8140 1.8140 2.2816 2.2816 2.3332 2.3332 8.4705 8.4705 9.2539 9.2539 11.3368 11.3368 11.7541 11.7541 k = 0.2095 0.4416 0.5534 ( 10468 PWs) bands (ev): -40.8572 -40.8572 -40.8364 -40.8364 -40.8237 -40.8237 -40.8109 -40.8109 -19.0626 -19.0626 -15.4783 -15.4783 -15.0542 -15.0542 -15.0348 -15.0348 -5.5095 -5.5095 -3.7245 -3.7245 -3.6281 -3.6281 -3.5736 -3.5736 -0.1914 -0.1914 0.2214 0.2214 0.4715 0.4715 0.5078 0.5078 0.7423 0.7423 1.7989 1.7989 2.2980 2.2980 2.3424 2.3424 8.5076 8.5076 9.1772 9.1772 11.3725 11.3725 11.7358 11.7358 k = 0.2162 0.4558 0.5534 ( 10468 PWs) bands (ev): -40.8570 -40.8570 -40.8353 -40.8353 -40.8248 -40.8248 -40.8112 -40.8112 -19.0616 -19.0616 -15.4817 -15.4817 -15.0528 -15.0528 -15.0366 -15.0366 -5.5038 -5.5038 -3.7272 -3.7272 -3.6256 -3.6256 -3.5801 -3.5801 -0.1510 -0.1510 0.2313 0.2313 0.4333 0.4333 0.5254 0.5254 0.7224 0.7224 1.7857 1.7857 2.3126 2.3126 2.3500 2.3500 8.5472 8.5472 9.1038 9.1038 11.4072 11.4072 11.7166 11.7166 k = 0.2230 0.4701 0.5534 ( 10488 PWs) bands (ev): -40.8567 -40.8567 -40.8343 -40.8343 -40.8258 -40.8258 -40.8114 -40.8114 -19.0607 -19.0607 -15.4844 -15.4844 -15.0514 -15.0514 -15.0383 -15.0383 -5.4990 -5.4990 -3.7295 -3.7295 -3.6228 -3.6228 -3.5862 -3.5862 -0.1126 -0.1126 0.2396 0.2396 0.3964 0.3964 0.5437 0.5437 0.7024 0.7024 1.7747 1.7747 2.3252 2.3252 2.3558 2.3558 8.5894 8.5894 9.0338 9.0338 11.4404 11.4404 11.6968 11.6968 k = 0.2297 0.4843 0.5534 ( 10464 PWs) bands (ev): -40.8565 -40.8565 -40.8332 -40.8332 -40.8269 -40.8269 -40.8116 -40.8116 -19.0601 -19.0601 -15.4866 -15.4866 -15.0499 -15.0499 -15.0401 -15.0401 -5.4953 -5.4953 -3.7314 -3.7314 -3.6196 -3.6196 -3.5919 -3.5919 -0.0777 -0.0777 0.2462 0.2462 0.3627 0.3627 0.5624 0.5624 0.6824 0.6824 1.7660 1.7660 2.3357 2.3357 2.3598 2.3598 8.6343 8.6343 8.9671 8.9671 11.4714 11.4714 11.6768 11.6768 k = 0.2365 0.4986 0.5534 ( 10472 PWs) bands (ev): -40.8564 -40.8564 -40.8322 -40.8322 -40.8279 -40.8279 -40.8117 -40.8117 -19.0596 -19.0596 -15.4881 -15.4881 -15.0484 -15.0484 -15.0418 -15.0418 -5.4926 -5.4926 -3.7327 -3.7327 -3.6160 -3.6160 -3.5973 -3.5973 -0.0488 -0.0488 0.2510 0.2510 0.3345 0.3345 0.5813 0.5813 0.6627 0.6627 1.7597 1.7597 2.3438 2.3438 2.3621 2.3621 8.6821 8.6821 8.9037 8.9037 11.4987 11.4987 11.6575 11.6575 k = 0.2432 0.5128 0.5534 ( 10464 PWs) bands (ev): -40.8563 -40.8563 -40.8311 -40.8311 -40.8290 -40.8290 -40.8118 -40.8118 -19.0593 -19.0593 -15.4891 -15.4891 -15.0468 -15.0468 -15.0435 -15.0435 -5.4909 -5.4909 -3.7335 -3.7335 -3.6123 -3.6123 -3.6022 -3.6022 -0.0290 -0.0290 0.2540 0.2540 0.3152 0.3152 0.5998 0.5998 0.6437 0.6437 1.7559 1.7559 2.3493 2.3493 2.3629 2.3629 8.7328 8.7328 8.8435 8.8435 11.5193 11.5193 11.6419 11.6419 k = 0.2500 0.5270 0.5534 ( 10464 PWs) bands (ev): -40.8563 -40.8563 -40.8300 -40.8300 -40.8300 -40.8300 -40.8118 -40.8118 -19.0592 -19.0592 -15.4894 -15.4894 -15.0454 -15.0454 -15.0450 -15.0450 -5.4904 -5.4904 -3.7337 -3.7337 -3.6095 -3.6095 -3.6053 -3.6053 -0.0218 -0.0218 0.2549 0.2549 0.3082 0.3082 0.6122 0.6122 0.6311 0.6311 1.7546 1.7546 2.3513 2.3513 2.3630 2.3630 8.7854 8.7854 8.7878 8.7878 11.5275 11.5275 11.6353 11.6353 Writing output data file Li4CO4.save init_run : 2.39s CPU 11.37s WALL ( 1 calls) electrons : 1211.33s CPU 1223.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.35s CPU 1.71s WALL ( 1 calls) Called by electrons: c_bands : 1211.30s CPU 1223.63s WALL ( 1 calls) v_of_rho : 0.15s CPU 1.23s WALL ( 1 calls) v_h : 0.00s CPU 0.08s WALL ( 1 calls) v_xc : 0.15s CPU 0.62s WALL ( 1 calls) newd : 0.11s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.19s WALL ( 335 calls) cegterg : 1130.54s CPU 1139.31s WALL ( 851 calls) Called by sum_band: Called by *egterg: h_psi : 710.81s CPU 721.23s WALL ( 15429 calls) s_psi : 32.98s CPU 33.30s WALL ( 15429 calls) g_psi : 1.80s CPU 1.84s WALL ( 14243 calls) cdiaghg : 259.03s CPU 256.24s WALL ( 14578 calls) cegterg:over : 88.35s CPU 84.25s WALL ( 14243 calls) cegterg:upda : 32.64s CPU 37.49s WALL ( 14243 calls) cegterg:last : 22.87s CPU 23.76s WALL ( 2235 calls) Called by h_psi: h_psi:vloc : 625.88s CPU 633.86s WALL ( 15429 calls) h_psi:vnl : 83.99s CPU 85.59s WALL ( 15429 calls) add_vuspsi : 25.12s CPU 30.19s WALL ( 15429 calls) General routines calbec : 58.83s CPU 55.21s WALL ( 15429 calls) fft : 0.34s CPU 1.22s WALL ( 15 calls) fftw : 593.50s CPU 597.68s WALL ( 1359188 calls) davcio : 0.05s CPU 2.57s WALL ( 670 calls) Parallel routines fft_scatter : 325.54s CPU 323.66s WALL ( 1359203 calls) PWSCF : 21m38.12s CPU 24m26.45s WALL This run was terminated on: 6:57: 6 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=